USER MOD reduce.3.24.130724 H: found=0, std=0, add=1484, rem=0, adj=74 USER MOD reduce.3.24.130724 removed 1486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 SER OG : rot -83:sc= 1.11 USER MOD Set 1.2: A 84 MET CE :methyl -162:sc= -1.21 (180deg=-2.64) USER MOD Set 1.3: B 80 SER OG : rot -83:sc= 1.17 USER MOD Set 1.4: B 84 MET CE :methyl -165:sc= -1.22 (180deg=-2.69) USER MOD Set 2.1: B 15 THR OG1 : rot 3:sc= -0.834! USER MOD Set 2.2: B 75 TYR OH : rot 133:sc= -0.577! USER MOD Set 3.1: B 31 LYS NZ :NH3+ -174:sc= -0.622 (180deg=-0.601) USER MOD Set 3.2: B 56 GLN :FLIP amide:sc= -1 F(o=-8.1,f=-5.2) USER MOD Set 3.3: B 59 MET CE :methyl -146:sc= -1.47 (180deg=-2.8!) USER MOD Set 3.4: B 60 SER OG : rot 180:sc=-0.000964 USER MOD Set 3.5: B 68 ASN :FLIP amide:sc= -2.13! F(o=-7.1,f=-5.2!) USER MOD Set 4.1: B 28 LYS NZ :NH3+ -174:sc= -4.06! (180deg=-3.67!) USER MOD Set 4.2: B 65 ASN : amide:sc= 0.578 K(o=-3.5,f=-4.3) USER MOD Set 5.1: B 14 SER OG : rot 53:sc= 0.25 USER MOD Set 5.2: B 17 HIS : no HE2:sc= -3.78! C(o=-3.5!,f=-4.4!) USER MOD Set 6.1: A 15 THR OG1 : rot 5:sc= -0.797! USER MOD Set 6.2: A 75 TYR OH : rot 135:sc= -0.648! USER MOD Set 7.1: A 31 LYS NZ :NH3+ -174:sc= -0.64 (180deg=-0.626) USER MOD Set 7.2: A 56 GLN :FLIP amide:sc= -1.1 F(o=-8,f=-5.2) USER MOD Set 7.3: A 59 MET CE :methyl -143:sc= -1.41 (180deg=-2.77!) USER MOD Set 7.4: A 60 SER OG : rot 180:sc= -0.0188 USER MOD Set 7.5: A 68 ASN :FLIP amide:sc= -2.01! F(o=-7,f=-5.2!) USER MOD Set 8.1: A 28 LYS NZ :NH3+ -172:sc= -4.07! (180deg=-3.67!) USER MOD Set 8.2: A 65 ASN : amide:sc= 0.576 K(o=-3.5,f=-4.3) USER MOD Set 9.1: A 14 SER OG : rot 52:sc= 0.244 USER MOD Set 9.2: A 17 HIS : no HE2:sc= -3.79! C(o=-3.5!,f=-4.5!) USER MOD Single : A 3 SER OG : rot 27:sc= 0.78 USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= -0.651 (180deg=-0.825) USER MOD Single : A 12 MET CE :methyl -134:sc= -0.12 (180deg=-0.881) USER MOD Single : A 18 LYS NZ :NH3+ 141:sc= 2.39 (180deg=-1.34!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 20 SER OG : rot -161:sc= 0.879 USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= 0.251 (180deg=-1.07!) USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= -0.0325 (180deg=-0.0459) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.574 F(o=-4.4!,f=-0.57) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 0.669 (180deg=0.265) USER MOD Single : A 39 THR OG1 : rot -36:sc= 0.873 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0454) USER MOD Single : A 50 THR OG1 : rot 55:sc= 0.177 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.0874 (180deg=-0.402) USER MOD Single : A 61 ASN :FLIP amide:sc= -1.69 F(o=-3.4!,f=-1.7) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc=-0.00668 F(o=-1.4,f=-0.0067) USER MOD Single : A 76 SER OG : rot -154:sc= 0.069 USER MOD Single : A 81 SER OG : rot 94:sc= 1.3 USER MOD Single : A 85 MET CE :methyl 150:sc= -0.365 (180deg=-1.16) USER MOD Single : A 86 SER OG : rot 78:sc= 0.56 USER MOD Single : A 87 ASN :FLIP amide:sc= -10.1! C(o=-12!,f=-10!) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= -0.89 (180deg=-1.17) USER MOD Single : B 3 SER OG : rot 32:sc= 0.805 USER MOD Single : B 7 LYS NZ :NH3+ 168:sc= -0.531 (180deg=-0.717) USER MOD Single : B 12 MET CE :methyl -135:sc= -0.0976 (180deg=-0.873) USER MOD Single : B 18 LYS NZ :NH3+ 149:sc= 2.16 (180deg=-1.25!) USER MOD Single : B 19 TYR OH : rot 180:sc= -0.25 USER MOD Single : B 20 SER OG : rot -160:sc= 0.819 USER MOD Single : B 22 LYS NZ :NH3+ -159:sc= 0.263 (180deg=-1.18!) USER MOD Single : B 26 LYS NZ :NH3+ 179:sc= -0.031 (180deg=-0.0312) USER MOD Single : B 30 ASN :FLIP amide:sc= -0.569 F(o=-4.5!,f=-0.57) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -169:sc= 0.704 (180deg=0.26) USER MOD Single : B 39 THR OG1 : rot -34:sc= 0.908 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0571) USER MOD Single : B 50 THR OG1 : rot 52:sc= 0.181 USER MOD Single : B 57 LYS NZ :NH3+ -160:sc= -0.0594 (180deg=-0.399) USER MOD Single : B 61 ASN :FLIP amide:sc= -1.63 F(o=-3.3!,f=-1.6) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 73 GLN :FLIP amide:sc=-0.00578 F(o=-1.4,f=-0.0058) USER MOD Single : B 76 SER OG : rot -155:sc= 0.0991 USER MOD Single : B 81 SER OG : rot 102:sc= 1.23 USER MOD Single : B 85 MET CE :methyl 150:sc= -0.336 (180deg=-1.24!) USER MOD Single : B 86 SER OG : rot 76:sc= 0.569 USER MOD Single : B 87 ASN :FLIP amide:sc= -10.3! C(o=-13!,f=-10!) USER MOD Single : B 96 LYS NZ :NH3+ 170:sc= -0.818 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -8.205 3.312 13.511 1.00 0.79 N ATOM 31 CA SER A 3 -7.603 4.427 14.214 1.00 0.78 C ATOM 32 C SER A 3 -6.210 4.739 13.601 1.00 0.65 C ATOM 33 O SER A 3 -5.975 4.414 12.440 1.00 0.83 O ATOM 34 CB SER A 3 -7.520 4.017 15.689 1.00 0.97 C ATOM 35 OG SER A 3 -8.567 3.117 16.015 1.00 1.18 O ATOM 0 HA SER A 3 -8.189 5.342 14.124 1.00 0.78 H new ATOM 0 HB2 SER A 3 -6.556 3.550 15.889 1.00 0.97 H new ATOM 0 HB3 SER A 3 -7.583 4.902 16.322 1.00 0.97 H new ATOM 0 HG SER A 3 -8.840 2.628 15.211 1.00 1.18 H new ATOM 41 N PRO A 4 -5.302 5.463 14.292 1.00 0.67 N ATOM 42 CA PRO A 4 -3.902 5.633 13.871 1.00 0.62 C ATOM 43 C PRO A 4 -3.245 4.479 13.064 1.00 0.46 C ATOM 44 O PRO A 4 -2.163 4.678 12.548 1.00 0.50 O ATOM 45 CB PRO A 4 -3.205 5.812 15.209 1.00 0.79 C ATOM 46 CG PRO A 4 -4.160 6.641 15.990 1.00 0.96 C ATOM 47 CD PRO A 4 -5.545 6.256 15.522 1.00 0.87 C ATOM 0 HA PRO A 4 -3.825 6.451 13.155 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -3.015 4.854 15.694 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -2.241 6.309 15.096 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -4.047 6.459 17.059 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -3.976 7.703 15.826 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -6.073 5.672 16.276 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -6.155 7.135 15.316 1.00 0.87 H new ATOM 55 N LEU A 5 -3.844 3.279 12.979 1.00 0.36 N ATOM 56 CA LEU A 5 -3.247 2.184 12.194 1.00 0.32 C ATOM 57 C LEU A 5 -3.126 2.536 10.718 1.00 0.30 C ATOM 58 O LEU A 5 -2.072 2.335 10.126 1.00 0.32 O ATOM 59 CB LEU A 5 -4.030 0.880 12.322 1.00 0.31 C ATOM 60 CG LEU A 5 -3.583 -0.244 11.368 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.482 -1.556 12.119 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.551 -0.398 10.202 1.00 0.27 C ATOM 0 H LEU A 5 -4.726 3.044 13.435 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.251 2.041 12.613 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.944 0.521 13.348 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -5.085 1.088 12.145 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.605 0.026 10.970 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -3.165 -2.343 11.435 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.753 -1.459 12.924 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.455 -1.810 12.540 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.208 -1.199 9.547 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.543 -0.641 10.582 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.596 0.535 9.641 1.00 0.27 H new ATOM 74 N GLU A 6 -4.190 3.044 10.108 1.00 0.34 N ATOM 75 CA GLU A 6 -4.103 3.414 8.704 1.00 0.42 C ATOM 76 C GLU A 6 -3.112 4.576 8.557 1.00 0.33 C ATOM 77 O GLU A 6 -2.390 4.721 7.561 1.00 0.31 O ATOM 78 CB GLU A 6 -5.468 3.771 8.125 1.00 0.62 C ATOM 79 CG GLU A 6 -5.906 2.869 6.971 1.00 1.80 C ATOM 80 CD GLU A 6 -5.984 1.396 7.344 1.00 2.84 C ATOM 81 OE1 GLU A 6 -4.919 0.768 7.483 1.00 3.61 O ATOM 82 OE2 GLU A 6 -7.109 0.869 7.490 1.00 3.32 O ATOM 0 H GLU A 6 -5.096 3.205 10.548 1.00 0.34 H new ATOM 0 HA GLU A 6 -3.744 2.557 8.134 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -6.214 3.718 8.918 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -5.446 4.804 7.778 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -6.883 3.197 6.615 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -5.208 2.989 6.142 1.00 1.80 H new ATOM 89 N LYS A 7 -3.059 5.385 9.600 1.00 0.35 N ATOM 90 CA LYS A 7 -2.079 6.452 9.710 1.00 0.36 C ATOM 91 C LYS A 7 -0.697 5.863 10.011 1.00 0.32 C ATOM 92 O LYS A 7 0.320 6.524 9.854 1.00 0.35 O ATOM 93 CB LYS A 7 -2.509 7.457 10.782 1.00 0.44 C ATOM 94 CG LYS A 7 -3.925 8.011 10.585 1.00 0.63 C ATOM 95 CD LYS A 7 -4.013 9.098 9.507 1.00 0.79 C ATOM 96 CE LYS A 7 -3.724 8.577 8.105 1.00 1.78 C ATOM 97 NZ LYS A 7 -2.420 9.073 7.585 1.00 2.82 N ATOM 0 H LYS A 7 -3.694 5.321 10.395 1.00 0.35 H new ATOM 0 HA LYS A 7 -2.017 6.986 8.762 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -2.450 6.978 11.759 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -1.803 8.287 10.791 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.593 7.192 10.319 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -4.282 8.419 11.531 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -5.010 9.539 9.525 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -3.307 9.894 9.744 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -3.719 7.487 8.117 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -4.524 8.885 7.432 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -2.197 8.592 6.690 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -2.479 10.098 7.421 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -1.672 8.876 8.280 1.00 2.82 H new ATOM 111 N ALA A 8 -0.680 4.623 10.484 1.00 0.29 N ATOM 112 CA ALA A 8 0.560 3.905 10.735 1.00 0.29 C ATOM 113 C ALA A 8 1.121 3.347 9.439 1.00 0.27 C ATOM 114 O ALA A 8 2.317 3.107 9.337 1.00 0.28 O ATOM 115 CB ALA A 8 0.367 2.795 11.756 1.00 0.32 C ATOM 0 H ALA A 8 -1.522 4.090 10.703 1.00 0.29 H new ATOM 0 HA ALA A 8 1.276 4.614 11.151 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.314 2.281 11.918 1.00 0.32 H new ATOM 0 HB2 ALA A 8 0.021 3.222 12.697 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.373 2.085 11.386 1.00 0.32 H new ATOM 121 N LEU A 9 0.261 3.118 8.450 1.00 0.26 N ATOM 122 CA LEU A 9 0.759 2.886 7.090 1.00 0.26 C ATOM 123 C LEU A 9 1.425 4.169 6.615 1.00 0.26 C ATOM 124 O LEU A 9 2.389 4.167 5.863 1.00 0.26 O ATOM 125 CB LEU A 9 -0.342 2.509 6.093 1.00 0.26 C ATOM 126 CG LEU A 9 -1.633 1.971 6.688 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.675 1.789 5.602 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.405 0.665 7.431 1.00 0.27 C ATOM 0 H LEU A 9 -0.753 3.088 8.554 1.00 0.26 H new ATOM 0 HA LEU A 9 1.450 2.044 7.130 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.581 3.390 5.497 1.00 0.26 H new ATOM 0 HB3 LEU A 9 0.058 1.760 5.409 1.00 0.26 H new ATOM 0 HG LEU A 9 -1.997 2.701 7.411 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.595 1.403 6.041 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -2.875 2.749 5.125 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.305 1.084 4.857 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.350 0.311 7.843 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -1.007 -0.080 6.743 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.694 0.827 8.241 1.00 0.27 H new ATOM 140 N ASP A 10 0.898 5.288 7.065 1.00 0.27 N ATOM 141 CA ASP A 10 1.582 6.564 6.833 1.00 0.29 C ATOM 142 C ASP A 10 2.927 6.549 7.572 1.00 0.27 C ATOM 143 O ASP A 10 3.931 7.110 7.118 1.00 0.28 O ATOM 144 CB ASP A 10 0.719 7.744 7.287 1.00 0.33 C ATOM 145 CG ASP A 10 1.370 9.088 7.031 1.00 0.38 C ATOM 146 OD1 ASP A 10 2.112 9.575 7.911 1.00 1.18 O ATOM 147 OD2 ASP A 10 1.123 9.677 5.960 1.00 1.16 O ATOM 0 H ASP A 10 0.021 5.352 7.582 1.00 0.27 H new ATOM 0 HA ASP A 10 1.758 6.689 5.764 1.00 0.29 H new ATOM 0 HB2 ASP A 10 -0.239 7.706 6.769 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.510 7.645 8.352 1.00 0.33 H new ATOM 152 N VAL A 11 2.951 5.857 8.701 1.00 0.27 N ATOM 153 CA VAL A 11 4.178 5.646 9.443 1.00 0.27 C ATOM 154 C VAL A 11 5.099 4.674 8.693 1.00 0.27 C ATOM 155 O VAL A 11 6.297 4.676 8.910 1.00 0.29 O ATOM 156 CB VAL A 11 3.890 5.139 10.876 1.00 0.28 C ATOM 157 CG1 VAL A 11 5.176 4.805 11.610 1.00 0.31 C ATOM 158 CG2 VAL A 11 3.096 6.179 11.654 1.00 0.31 C ATOM 0 H VAL A 11 2.126 5.430 9.123 1.00 0.27 H new ATOM 0 HA VAL A 11 4.687 6.606 9.531 1.00 0.27 H new ATOM 0 HB VAL A 11 3.299 4.226 10.797 1.00 0.28 H new ATOM 0 HG11 VAL A 11 4.941 4.452 12.614 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.713 4.027 11.068 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.799 5.697 11.676 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.900 5.809 12.661 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.668 7.105 11.712 1.00 0.31 H new ATOM 0 HG23 VAL A 11 2.150 6.369 11.147 1.00 0.31 H new ATOM 168 N MET A 12 4.537 3.852 7.807 1.00 0.26 N ATOM 169 CA MET A 12 5.349 3.015 6.910 1.00 0.29 C ATOM 170 C MET A 12 6.124 3.916 5.944 1.00 0.29 C ATOM 171 O MET A 12 7.232 3.605 5.514 1.00 0.34 O ATOM 172 CB MET A 12 4.470 2.010 6.141 1.00 0.32 C ATOM 173 CG MET A 12 4.187 2.390 4.691 1.00 0.98 C ATOM 174 SD MET A 12 2.742 1.543 4.011 1.00 2.23 S ATOM 175 CE MET A 12 2.708 2.207 2.350 1.00 2.75 C ATOM 0 H MET A 12 3.530 3.745 7.688 1.00 0.26 H new ATOM 0 HA MET A 12 6.055 2.437 7.506 1.00 0.29 H new ATOM 0 HB2 MET A 12 4.957 1.035 6.158 1.00 0.32 H new ATOM 0 HB3 MET A 12 3.521 1.902 6.666 1.00 0.32 H new ATOM 0 HG2 MET A 12 4.034 3.467 4.626 1.00 0.98 H new ATOM 0 HG3 MET A 12 5.060 2.155 4.082 1.00 0.98 H new ATOM 0 HE1 MET A 12 1.690 2.503 2.097 1.00 2.75 H new ATOM 0 HE2 MET A 12 3.364 3.076 2.292 1.00 2.75 H new ATOM 0 HE3 MET A 12 3.050 1.447 1.647 1.00 2.75 H new ATOM 185 N VAL A 13 5.532 5.053 5.608 1.00 0.29 N ATOM 186 CA VAL A 13 6.262 6.089 4.887 1.00 0.31 C ATOM 187 C VAL A 13 7.453 6.544 5.736 1.00 0.27 C ATOM 188 O VAL A 13 8.552 6.809 5.232 1.00 0.27 O ATOM 189 CB VAL A 13 5.357 7.299 4.561 1.00 0.37 C ATOM 190 CG1 VAL A 13 6.126 8.386 3.825 1.00 0.41 C ATOM 191 CG2 VAL A 13 4.152 6.860 3.746 1.00 0.42 C ATOM 0 H VAL A 13 4.561 5.281 5.819 1.00 0.29 H new ATOM 0 HA VAL A 13 6.610 5.672 3.942 1.00 0.31 H new ATOM 0 HB VAL A 13 5.009 7.716 5.506 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.460 9.222 3.611 1.00 0.41 H new ATOM 0 HG12 VAL A 13 6.953 8.731 4.446 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.517 7.985 2.890 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.527 7.725 3.526 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.489 6.409 2.813 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.575 6.130 4.314 1.00 0.42 H new ATOM 201 N SER A 14 7.230 6.602 7.044 1.00 0.26 N ATOM 202 CA SER A 14 8.280 6.978 7.984 1.00 0.26 C ATOM 203 C SER A 14 9.322 5.868 8.158 1.00 0.25 C ATOM 204 O SER A 14 10.523 6.154 8.208 1.00 0.26 O ATOM 205 CB SER A 14 7.676 7.363 9.339 1.00 0.31 C ATOM 206 OG SER A 14 8.671 7.842 10.227 1.00 1.18 O ATOM 0 H SER A 14 6.331 6.393 7.478 1.00 0.26 H new ATOM 0 HA SER A 14 8.794 7.844 7.566 1.00 0.26 H new ATOM 0 HB2 SER A 14 6.914 8.129 9.196 1.00 0.31 H new ATOM 0 HB3 SER A 14 7.180 6.497 9.778 1.00 0.31 H new ATOM 0 HG SER A 14 9.191 8.546 9.786 1.00 1.18 H new ATOM 212 N THR A 15 8.879 4.613 8.240 1.00 0.28 N ATOM 213 CA THR A 15 9.795 3.491 8.366 1.00 0.32 C ATOM 214 C THR A 15 10.765 3.504 7.194 1.00 0.28 C ATOM 215 O THR A 15 11.971 3.228 7.345 1.00 0.29 O ATOM 216 CB THR A 15 9.047 2.134 8.447 1.00 0.45 C ATOM 217 OG1 THR A 15 8.107 2.017 7.389 1.00 0.59 O ATOM 218 CG2 THR A 15 8.329 1.998 9.779 1.00 0.93 C ATOM 0 H THR A 15 7.893 4.353 8.221 1.00 0.28 H new ATOM 0 HA THR A 15 10.346 3.600 9.300 1.00 0.32 H new ATOM 0 HB THR A 15 9.786 1.338 8.357 1.00 0.45 H new ATOM 0 HG1 THR A 15 8.188 2.790 6.793 1.00 0.59 H new ATOM 0 HG21 THR A 15 7.810 1.040 9.817 1.00 0.93 H new ATOM 0 HG22 THR A 15 9.055 2.050 10.591 1.00 0.93 H new ATOM 0 HG23 THR A 15 7.606 2.806 9.887 1.00 0.93 H new ATOM 226 N PHE A 16 10.236 3.901 6.042 1.00 0.27 N ATOM 227 CA PHE A 16 11.029 4.042 4.843 1.00 0.27 C ATOM 228 C PHE A 16 12.166 5.031 5.030 1.00 0.29 C ATOM 229 O PHE A 16 13.325 4.639 5.011 1.00 0.37 O ATOM 230 CB PHE A 16 10.159 4.482 3.671 1.00 0.34 C ATOM 231 CG PHE A 16 10.940 4.702 2.409 1.00 0.83 C ATOM 232 CD1 PHE A 16 11.233 3.646 1.571 1.00 1.73 C ATOM 233 CD2 PHE A 16 11.391 5.964 2.069 1.00 1.65 C ATOM 234 CE1 PHE A 16 11.960 3.843 0.416 1.00 2.34 C ATOM 235 CE2 PHE A 16 12.119 6.168 0.919 1.00 2.27 C ATOM 236 CZ PHE A 16 12.404 5.105 0.091 1.00 2.36 C ATOM 0 H PHE A 16 9.250 4.131 5.921 1.00 0.27 H new ATOM 0 HA PHE A 16 11.460 3.064 4.629 1.00 0.27 H new ATOM 0 HB2 PHE A 16 9.394 3.727 3.491 1.00 0.34 H new ATOM 0 HB3 PHE A 16 9.641 5.404 3.936 1.00 0.34 H new ATOM 0 HD1 PHE A 16 10.889 2.654 1.822 1.00 1.73 H new ATOM 0 HD2 PHE A 16 11.169 6.801 2.715 1.00 1.65 H new ATOM 0 HE1 PHE A 16 12.181 3.008 -0.233 1.00 2.34 H new ATOM 0 HE2 PHE A 16 12.466 7.159 0.667 1.00 2.27 H new ATOM 0 HZ PHE A 16 12.975 5.261 -0.812 1.00 2.36 H new ATOM 246 N HIS A 17 11.842 6.304 5.267 1.00 0.30 N ATOM 247 CA HIS A 17 12.880 7.335 5.307 1.00 0.40 C ATOM 248 C HIS A 17 13.820 7.122 6.486 1.00 0.36 C ATOM 249 O HIS A 17 14.928 7.647 6.511 1.00 0.42 O ATOM 250 CB HIS A 17 12.288 8.754 5.316 1.00 0.59 C ATOM 251 CG HIS A 17 11.526 9.142 6.550 1.00 0.81 C ATOM 252 ND1 HIS A 17 12.126 9.412 7.760 1.00 1.53 N ATOM 253 CD2 HIS A 17 10.203 9.342 6.739 1.00 1.78 C ATOM 254 CE1 HIS A 17 11.206 9.756 8.639 1.00 2.03 C ATOM 255 NE2 HIS A 17 10.030 9.723 8.045 1.00 2.20 N ATOM 0 H HIS A 17 10.893 6.640 5.430 1.00 0.30 H new ATOM 0 HA HIS A 17 13.461 7.239 4.390 1.00 0.40 H new ATOM 0 HB2 HIS A 17 13.101 9.466 5.176 1.00 0.59 H new ATOM 0 HB3 HIS A 17 11.625 8.855 4.457 1.00 0.59 H new ATOM 0 HD1 HIS A 17 13.127 9.355 7.947 1.00 1.53 H new ATOM 0 HD2 HIS A 17 9.426 9.224 5.999 1.00 1.78 H new ATOM 0 HE1 HIS A 17 11.385 10.020 9.671 1.00 2.03 H new ATOM 264 N LYS A 18 13.369 6.337 7.451 1.00 0.34 N ATOM 265 CA LYS A 18 14.214 5.924 8.555 1.00 0.39 C ATOM 266 C LYS A 18 15.402 5.108 8.054 1.00 0.37 C ATOM 267 O LYS A 18 16.531 5.300 8.511 1.00 0.47 O ATOM 268 CB LYS A 18 13.394 5.115 9.562 1.00 0.43 C ATOM 269 CG LYS A 18 14.218 4.159 10.417 1.00 0.55 C ATOM 270 CD LYS A 18 13.410 3.604 11.575 1.00 0.73 C ATOM 271 CE LYS A 18 12.056 3.099 11.115 1.00 0.80 C ATOM 272 NZ LYS A 18 12.168 2.094 10.028 1.00 1.28 N ATOM 0 H LYS A 18 12.417 5.972 7.490 1.00 0.34 H new ATOM 0 HA LYS A 18 14.603 6.815 9.048 1.00 0.39 H new ATOM 0 HB2 LYS A 18 12.863 5.805 10.218 1.00 0.43 H new ATOM 0 HB3 LYS A 18 12.639 4.543 9.022 1.00 0.43 H new ATOM 0 HG2 LYS A 18 14.580 3.337 9.799 1.00 0.55 H new ATOM 0 HG3 LYS A 18 15.096 4.679 10.802 1.00 0.55 H new ATOM 0 HD2 LYS A 18 13.961 2.791 12.048 1.00 0.73 H new ATOM 0 HD3 LYS A 18 13.274 4.379 12.330 1.00 0.73 H new ATOM 0 HE2 LYS A 18 11.529 2.658 11.961 1.00 0.80 H new ATOM 0 HE3 LYS A 18 11.456 3.940 10.768 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 11.461 1.345 10.173 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 12.001 2.555 9.111 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 13.121 1.677 10.038 1.00 1.28 H new ATOM 286 N TYR A 19 15.151 4.203 7.114 1.00 0.29 N ATOM 287 CA TYR A 19 16.215 3.350 6.601 1.00 0.29 C ATOM 288 C TYR A 19 16.744 3.804 5.249 1.00 0.33 C ATOM 289 O TYR A 19 17.778 3.324 4.824 1.00 0.44 O ATOM 290 CB TYR A 19 15.778 1.885 6.566 1.00 0.31 C ATOM 291 CG TYR A 19 15.849 1.254 7.934 1.00 0.36 C ATOM 292 CD1 TYR A 19 17.076 1.033 8.542 1.00 1.28 C ATOM 293 CD2 TYR A 19 14.702 0.927 8.638 1.00 1.23 C ATOM 294 CE1 TYR A 19 17.158 0.499 9.810 1.00 1.35 C ATOM 295 CE2 TYR A 19 14.778 0.401 9.914 1.00 1.26 C ATOM 296 CZ TYR A 19 16.005 0.191 10.493 1.00 0.62 C ATOM 297 OH TYR A 19 16.079 -0.316 11.768 1.00 0.79 O ATOM 0 H TYR A 19 14.234 4.043 6.697 1.00 0.29 H new ATOM 0 HA TYR A 19 17.048 3.442 7.298 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.759 1.817 6.185 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.414 1.331 5.875 1.00 0.31 H new ATOM 0 HD1 TYR A 19 17.983 1.284 8.012 1.00 1.28 H new ATOM 0 HD2 TYR A 19 13.735 1.085 8.184 1.00 1.23 H new ATOM 0 HE1 TYR A 19 18.122 0.324 10.264 1.00 1.35 H new ATOM 0 HE2 TYR A 19 13.875 0.156 10.454 1.00 1.26 H new ATOM 0 HH TYR A 19 15.175 -0.478 12.108 1.00 0.79 H new ATOM 307 N SER A 20 16.035 4.706 4.581 1.00 0.29 N ATOM 308 CA SER A 20 16.516 5.301 3.338 1.00 0.32 C ATOM 309 C SER A 20 17.437 6.467 3.632 1.00 0.40 C ATOM 310 O SER A 20 18.264 6.852 2.815 1.00 0.60 O ATOM 311 CB SER A 20 15.343 5.805 2.514 1.00 0.35 C ATOM 312 OG SER A 20 14.363 4.802 2.382 1.00 0.86 O ATOM 0 H SER A 20 15.120 5.043 4.881 1.00 0.29 H new ATOM 0 HA SER A 20 17.060 4.536 2.783 1.00 0.32 H new ATOM 0 HB2 SER A 20 14.909 6.685 2.989 1.00 0.35 H new ATOM 0 HB3 SER A 20 15.690 6.114 1.528 1.00 0.35 H new ATOM 0 HG SER A 20 13.780 5.013 1.623 1.00 0.86 H new ATOM 318 N GLY A 21 17.268 7.047 4.806 1.00 0.37 N ATOM 319 CA GLY A 21 18.039 8.206 5.164 1.00 0.43 C ATOM 320 C GLY A 21 19.323 7.846 5.858 1.00 0.41 C ATOM 321 O GLY A 21 19.800 8.581 6.724 1.00 0.46 O ATOM 0 H GLY A 21 16.608 6.732 5.517 1.00 0.37 H new ATOM 0 HA2 GLY A 21 18.263 8.782 4.266 1.00 0.43 H new ATOM 0 HA3 GLY A 21 17.445 8.848 5.814 1.00 0.43 H new ATOM 325 N LYS A 22 19.882 6.710 5.492 1.00 0.40 N ATOM 326 CA LYS A 22 21.121 6.263 6.085 1.00 0.46 C ATOM 327 C LYS A 22 22.285 6.468 5.121 1.00 0.52 C ATOM 328 O LYS A 22 23.274 7.121 5.454 1.00 0.65 O ATOM 329 CB LYS A 22 21.016 4.794 6.462 1.00 0.47 C ATOM 330 CG LYS A 22 19.756 4.450 7.232 1.00 0.60 C ATOM 331 CD LYS A 22 19.903 3.114 7.931 1.00 0.56 C ATOM 332 CE LYS A 22 20.305 2.013 6.964 1.00 0.49 C ATOM 333 NZ LYS A 22 20.986 0.904 7.675 1.00 1.08 N ATOM 0 H LYS A 22 19.496 6.082 4.787 1.00 0.40 H new ATOM 0 HA LYS A 22 21.306 6.853 6.983 1.00 0.46 H new ATOM 0 HB2 LYS A 22 21.052 4.192 5.554 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.884 4.519 7.062 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.548 5.229 7.966 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.905 4.418 6.551 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.651 3.197 8.719 1.00 0.56 H new ATOM 0 HD3 LYS A 22 18.961 2.850 8.412 1.00 0.56 H new ATOM 0 HE2 LYS A 22 19.421 1.633 6.452 1.00 0.49 H new ATOM 0 HE3 LYS A 22 20.966 2.420 6.199 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 21.593 0.385 7.009 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 21.568 1.291 8.445 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 20.275 0.257 8.071 1.00 1.08 H new ATOM 347 N GLU A 23 22.142 5.925 3.921 1.00 0.47 N ATOM 348 CA GLU A 23 23.202 5.945 2.924 1.00 0.55 C ATOM 349 C GLU A 23 22.749 6.655 1.650 1.00 0.58 C ATOM 350 O GLU A 23 21.711 6.324 1.081 1.00 0.64 O ATOM 351 CB GLU A 23 23.607 4.509 2.577 1.00 0.67 C ATOM 352 CG GLU A 23 24.086 3.692 3.764 1.00 1.15 C ATOM 353 CD GLU A 23 25.402 4.187 4.317 1.00 1.59 C ATOM 354 OE1 GLU A 23 26.402 4.181 3.570 1.00 1.96 O ATOM 355 OE2 GLU A 23 25.449 4.583 5.498 1.00 2.38 O ATOM 0 H GLU A 23 21.289 5.459 3.611 1.00 0.47 H new ATOM 0 HA GLU A 23 24.050 6.487 3.343 1.00 0.55 H new ATOM 0 HB2 GLU A 23 22.755 4.003 2.122 1.00 0.67 H new ATOM 0 HB3 GLU A 23 24.398 4.538 1.827 1.00 0.67 H new ATOM 0 HG2 GLU A 23 23.331 3.723 4.550 1.00 1.15 H new ATOM 0 HG3 GLU A 23 24.191 2.649 3.464 1.00 1.15 H new ATOM 362 N GLY A 24 23.545 7.613 1.193 1.00 0.72 N ATOM 363 CA GLY A 24 23.270 8.267 -0.072 1.00 0.85 C ATOM 364 C GLY A 24 22.123 9.261 0.003 1.00 0.79 C ATOM 365 O GLY A 24 22.304 10.397 0.450 1.00 0.92 O ATOM 0 H GLY A 24 24.378 7.949 1.677 1.00 0.72 H new ATOM 0 HA2 GLY A 24 24.168 8.784 -0.409 1.00 0.85 H new ATOM 0 HA3 GLY A 24 23.038 7.510 -0.822 1.00 0.85 H new ATOM 369 N ASP A 25 20.944 8.830 -0.427 1.00 0.71 N ATOM 370 CA ASP A 25 19.777 9.705 -0.515 1.00 0.70 C ATOM 371 C ASP A 25 18.954 9.656 0.764 1.00 0.73 C ATOM 372 O ASP A 25 19.359 9.058 1.749 1.00 1.34 O ATOM 373 CB ASP A 25 18.892 9.310 -1.708 1.00 0.73 C ATOM 374 CG ASP A 25 19.452 9.780 -3.033 1.00 1.04 C ATOM 375 OD1 ASP A 25 20.415 9.164 -3.531 1.00 1.75 O ATOM 376 OD2 ASP A 25 18.927 10.769 -3.587 1.00 1.65 O ATOM 0 H ASP A 25 20.768 7.870 -0.724 1.00 0.71 H new ATOM 0 HA ASP A 25 20.141 10.722 -0.658 1.00 0.70 H new ATOM 0 HB2 ASP A 25 18.781 8.226 -1.729 1.00 0.73 H new ATOM 0 HB3 ASP A 25 17.895 9.730 -1.570 1.00 0.73 H new ATOM 381 N LYS A 26 17.815 10.327 0.745 1.00 0.61 N ATOM 382 CA LYS A 26 16.858 10.276 1.844 1.00 0.56 C ATOM 383 C LYS A 26 15.481 9.938 1.303 1.00 0.49 C ATOM 384 O LYS A 26 14.466 10.130 1.974 1.00 0.55 O ATOM 385 CB LYS A 26 16.809 11.618 2.582 1.00 0.71 C ATOM 386 CG LYS A 26 17.865 11.770 3.662 1.00 1.03 C ATOM 387 CD LYS A 26 17.365 11.249 5.003 1.00 0.70 C ATOM 388 CE LYS A 26 16.864 12.376 5.902 1.00 0.94 C ATOM 389 NZ LYS A 26 15.741 13.142 5.298 1.00 1.56 N ATOM 0 H LYS A 26 17.525 10.923 -0.031 1.00 0.61 H new ATOM 0 HA LYS A 26 17.175 9.506 2.547 1.00 0.56 H new ATOM 0 HB2 LYS A 26 16.927 12.424 1.857 1.00 0.71 H new ATOM 0 HB3 LYS A 26 15.824 11.737 3.033 1.00 0.71 H new ATOM 0 HG2 LYS A 26 18.765 11.228 3.372 1.00 1.03 H new ATOM 0 HG3 LYS A 26 18.142 12.820 3.758 1.00 1.03 H new ATOM 0 HD2 LYS A 26 16.560 10.533 4.837 1.00 0.70 H new ATOM 0 HD3 LYS A 26 18.170 10.713 5.507 1.00 0.70 H new ATOM 0 HE2 LYS A 26 16.541 11.957 6.855 1.00 0.94 H new ATOM 0 HE3 LYS A 26 17.688 13.057 6.116 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 15.397 13.849 5.979 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 16.072 13.622 4.437 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 14.967 12.491 5.055 1.00 1.56 H new ATOM 403 N PHE A 27 15.454 9.445 0.073 1.00 0.45 N ATOM 404 CA PHE A 27 14.202 9.190 -0.616 1.00 0.44 C ATOM 405 C PHE A 27 14.239 7.840 -1.311 1.00 0.40 C ATOM 406 O PHE A 27 13.298 7.476 -2.017 1.00 0.40 O ATOM 407 CB PHE A 27 13.919 10.293 -1.646 1.00 0.50 C ATOM 408 CG PHE A 27 13.932 11.684 -1.074 1.00 0.78 C ATOM 409 CD1 PHE A 27 12.783 12.238 -0.532 1.00 1.76 C ATOM 410 CD2 PHE A 27 15.096 12.435 -1.074 1.00 1.28 C ATOM 411 CE1 PHE A 27 12.796 13.513 -0.001 1.00 2.09 C ATOM 412 CE2 PHE A 27 15.114 13.710 -0.546 1.00 1.59 C ATOM 413 CZ PHE A 27 13.963 14.249 -0.008 1.00 1.65 C ATOM 0 H PHE A 27 16.288 9.214 -0.467 1.00 0.45 H new ATOM 0 HA PHE A 27 13.404 9.184 0.127 1.00 0.44 H new ATOM 0 HB2 PHE A 27 14.662 10.232 -2.442 1.00 0.50 H new ATOM 0 HB3 PHE A 27 12.947 10.108 -2.103 1.00 0.50 H new ATOM 0 HD1 PHE A 27 11.867 11.666 -0.525 1.00 1.76 H new ATOM 0 HD2 PHE A 27 16.000 12.018 -1.492 1.00 1.28 H new ATOM 0 HE1 PHE A 27 11.894 13.933 0.419 1.00 2.09 H new ATOM 0 HE2 PHE A 27 16.028 14.285 -0.554 1.00 1.59 H new ATOM 0 HZ PHE A 27 13.976 15.246 0.407 1.00 1.65 H new ATOM 423 N LYS A 28 15.325 7.101 -1.103 1.00 0.39 N ATOM 424 CA LYS A 28 15.518 5.819 -1.762 1.00 0.36 C ATOM 425 C LYS A 28 16.350 4.883 -0.917 1.00 0.34 C ATOM 426 O LYS A 28 17.290 5.300 -0.250 1.00 0.38 O ATOM 427 CB LYS A 28 16.193 5.979 -3.119 1.00 0.40 C ATOM 428 CG LYS A 28 15.282 6.489 -4.215 1.00 0.49 C ATOM 429 CD LYS A 28 15.964 6.379 -5.561 1.00 0.56 C ATOM 430 CE LYS A 28 15.025 6.712 -6.711 1.00 0.86 C ATOM 431 NZ LYS A 28 13.970 5.675 -6.887 1.00 1.70 N ATOM 0 H LYS A 28 16.086 7.372 -0.480 1.00 0.39 H new ATOM 0 HA LYS A 28 14.524 5.395 -1.903 1.00 0.36 H new ATOM 0 HB2 LYS A 28 17.034 6.665 -3.014 1.00 0.40 H new ATOM 0 HB3 LYS A 28 16.603 5.016 -3.423 1.00 0.40 H new ATOM 0 HG2 LYS A 28 14.355 5.916 -4.222 1.00 0.49 H new ATOM 0 HG3 LYS A 28 15.014 7.527 -4.020 1.00 0.49 H new ATOM 0 HD2 LYS A 28 16.821 7.052 -5.588 1.00 0.56 H new ATOM 0 HD3 LYS A 28 16.349 5.367 -5.690 1.00 0.56 H new ATOM 0 HE2 LYS A 28 14.556 7.679 -6.528 1.00 0.86 H new ATOM 0 HE3 LYS A 28 15.599 6.805 -7.633 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 13.437 5.867 -7.759 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 14.413 4.736 -6.952 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 13.323 5.697 -6.073 1.00 1.70 H new ATOM 445 N LEU A 29 15.988 3.618 -0.977 1.00 0.31 N ATOM 446 CA LEU A 29 16.717 2.561 -0.313 1.00 0.28 C ATOM 447 C LEU A 29 17.628 1.873 -1.304 1.00 0.31 C ATOM 448 O LEU A 29 17.164 1.140 -2.179 1.00 0.33 O ATOM 449 CB LEU A 29 15.762 1.512 0.254 1.00 0.26 C ATOM 450 CG LEU A 29 14.821 1.979 1.345 1.00 0.26 C ATOM 451 CD1 LEU A 29 13.601 1.084 1.372 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.525 1.945 2.690 1.00 0.25 C ATOM 0 H LEU A 29 15.171 3.293 -1.494 1.00 0.31 H new ATOM 0 HA LEU A 29 17.291 3.009 0.498 1.00 0.28 H new ATOM 0 HB2 LEU A 29 15.164 1.115 -0.566 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.355 0.685 0.645 1.00 0.26 H new ATOM 0 HG LEU A 29 14.511 3.004 1.141 1.00 0.26 H new ATOM 0 HD11 LEU A 29 12.922 1.418 2.157 1.00 0.28 H new ATOM 0 HD12 LEU A 29 13.094 1.131 0.408 1.00 0.28 H new ATOM 0 HD13 LEU A 29 13.907 0.057 1.570 1.00 0.28 H new ATOM 0 HD21 LEU A 29 14.840 2.283 3.468 1.00 0.25 H new ATOM 0 HD22 LEU A 29 15.847 0.926 2.907 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.395 2.602 2.662 1.00 0.25 H new ATOM 464 N ASN A 30 18.911 2.095 -1.164 1.00 0.32 N ATOM 465 CA ASN A 30 19.892 1.370 -1.947 1.00 0.36 C ATOM 466 C ASN A 30 19.952 -0.049 -1.420 1.00 0.33 C ATOM 467 O ASN A 30 19.391 -0.319 -0.365 1.00 0.30 O ATOM 468 CB ASN A 30 21.250 2.065 -1.865 1.00 0.42 C ATOM 469 CG ASN A 30 21.582 2.506 -0.458 1.00 0.44 C ATOM 470 OD1 ASN A 30 21.002 3.623 -0.051 1.00 0.56 O flip ATOM 471 ND2 ASN A 30 22.307 1.826 0.270 1.00 0.43 N flip ATOM 0 H ASN A 30 19.306 2.774 -0.513 1.00 0.32 H new ATOM 0 HA ASN A 30 19.611 1.349 -3.000 1.00 0.36 H new ATOM 0 HB2 ASN A 30 22.025 1.388 -2.224 1.00 0.42 H new ATOM 0 HB3 ASN A 30 21.253 2.932 -2.526 1.00 0.42 H new ATOM 0 HD21 ASN A 30 22.733 0.971 -0.089 1.00 0.43 H new ATOM 0 HD22 ASN A 30 22.482 2.118 1.232 1.00 0.43 H new ATOM 478 N LYS A 31 20.608 -0.951 -2.137 1.00 0.35 N ATOM 479 CA LYS A 31 20.561 -2.370 -1.789 1.00 0.34 C ATOM 480 C LYS A 31 20.840 -2.620 -0.310 1.00 0.31 C ATOM 481 O LYS A 31 20.179 -3.443 0.312 1.00 0.31 O ATOM 482 CB LYS A 31 21.568 -3.177 -2.589 1.00 0.41 C ATOM 483 CG LYS A 31 21.187 -3.443 -4.035 1.00 0.68 C ATOM 484 CD LYS A 31 22.235 -4.321 -4.697 1.00 0.71 C ATOM 485 CE LYS A 31 21.813 -4.774 -6.077 1.00 1.15 C ATOM 486 NZ LYS A 31 20.765 -5.824 -6.017 1.00 1.99 N ATOM 0 H LYS A 31 21.175 -0.732 -2.956 1.00 0.35 H new ATOM 0 HA LYS A 31 19.546 -2.688 -2.025 1.00 0.34 H new ATOM 0 HB2 LYS A 31 22.523 -2.653 -2.573 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.721 -4.134 -2.089 1.00 0.41 H new ATOM 0 HG2 LYS A 31 20.213 -3.930 -4.079 1.00 0.68 H new ATOM 0 HG3 LYS A 31 21.097 -2.500 -4.575 1.00 0.68 H new ATOM 0 HD2 LYS A 31 23.174 -3.772 -4.768 1.00 0.71 H new ATOM 0 HD3 LYS A 31 22.423 -5.194 -4.072 1.00 0.71 H new ATOM 0 HE2 LYS A 31 21.439 -3.920 -6.641 1.00 1.15 H new ATOM 0 HE3 LYS A 31 22.680 -5.157 -6.615 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 20.575 -6.180 -6.975 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 21.092 -6.607 -5.415 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 19.893 -5.422 -5.618 1.00 1.99 H new ATOM 500 N SER A 32 21.824 -1.918 0.242 1.00 0.34 N ATOM 501 CA SER A 32 22.187 -2.090 1.642 1.00 0.37 C ATOM 502 C SER A 32 21.001 -1.756 2.539 1.00 0.34 C ATOM 503 O SER A 32 20.644 -2.523 3.433 1.00 0.38 O ATOM 504 CB SER A 32 23.384 -1.201 1.996 1.00 0.45 C ATOM 505 OG SER A 32 23.807 -1.419 3.332 1.00 1.33 O ATOM 0 H SER A 32 22.383 -1.226 -0.258 1.00 0.34 H new ATOM 0 HA SER A 32 22.467 -3.131 1.803 1.00 0.37 H new ATOM 0 HB2 SER A 32 24.208 -1.407 1.313 1.00 0.45 H new ATOM 0 HB3 SER A 32 23.114 -0.153 1.864 1.00 0.45 H new ATOM 0 HG SER A 32 24.573 -0.841 3.531 1.00 1.33 H new ATOM 511 N GLU A 33 20.383 -0.617 2.270 1.00 0.32 N ATOM 512 CA GLU A 33 19.237 -0.162 3.035 1.00 0.35 C ATOM 513 C GLU A 33 18.026 -1.040 2.754 1.00 0.30 C ATOM 514 O GLU A 33 17.262 -1.368 3.663 1.00 0.32 O ATOM 515 CB GLU A 33 18.929 1.284 2.677 1.00 0.45 C ATOM 516 CG GLU A 33 20.068 2.240 2.966 1.00 0.59 C ATOM 517 CD GLU A 33 19.672 3.672 2.711 1.00 1.50 C ATOM 518 OE1 GLU A 33 19.008 3.926 1.690 1.00 2.15 O ATOM 519 OE2 GLU A 33 20.024 4.541 3.530 1.00 2.32 O ATOM 0 H GLU A 33 20.661 0.014 1.519 1.00 0.32 H new ATOM 0 HA GLU A 33 19.471 -0.229 4.097 1.00 0.35 H new ATOM 0 HB2 GLU A 33 18.679 1.341 1.618 1.00 0.45 H new ATOM 0 HB3 GLU A 33 18.047 1.606 3.231 1.00 0.45 H new ATOM 0 HG2 GLU A 33 20.382 2.129 4.004 1.00 0.59 H new ATOM 0 HG3 GLU A 33 20.925 1.983 2.344 1.00 0.59 H new ATOM 526 N LEU A 34 17.866 -1.412 1.486 1.00 0.30 N ATOM 527 CA LEU A 34 16.805 -2.306 1.056 1.00 0.33 C ATOM 528 C LEU A 34 16.851 -3.602 1.846 1.00 0.29 C ATOM 529 O LEU A 34 15.849 -4.009 2.433 1.00 0.30 O ATOM 530 CB LEU A 34 16.951 -2.615 -0.433 1.00 0.50 C ATOM 531 CG LEU A 34 15.824 -3.451 -1.031 1.00 0.51 C ATOM 532 CD1 LEU A 34 14.554 -2.625 -1.123 1.00 1.01 C ATOM 533 CD2 LEU A 34 16.225 -3.990 -2.394 1.00 0.55 C ATOM 0 H LEU A 34 18.473 -1.098 0.729 1.00 0.30 H new ATOM 0 HA LEU A 34 15.848 -1.814 1.233 1.00 0.33 H new ATOM 0 HB2 LEU A 34 17.015 -1.674 -0.980 1.00 0.50 H new ATOM 0 HB3 LEU A 34 17.894 -3.139 -0.589 1.00 0.50 H new ATOM 0 HG LEU A 34 15.632 -4.303 -0.378 1.00 0.51 H new ATOM 0 HD11 LEU A 34 13.756 -3.231 -1.551 1.00 1.01 H new ATOM 0 HD12 LEU A 34 14.263 -2.293 -0.126 1.00 1.01 H new ATOM 0 HD13 LEU A 34 14.730 -1.756 -1.758 1.00 1.01 H new ATOM 0 HD21 LEU A 34 15.409 -4.584 -2.805 1.00 0.55 H new ATOM 0 HD22 LEU A 34 16.442 -3.159 -3.065 1.00 0.55 H new ATOM 0 HD23 LEU A 34 17.112 -4.615 -2.292 1.00 0.55 H new ATOM 545 N LYS A 35 18.024 -4.239 1.852 1.00 0.29 N ATOM 546 CA LYS A 35 18.240 -5.456 2.622 1.00 0.29 C ATOM 547 C LYS A 35 17.688 -5.313 4.013 1.00 0.29 C ATOM 548 O LYS A 35 16.814 -6.070 4.435 1.00 0.31 O ATOM 549 CB LYS A 35 19.722 -5.779 2.752 1.00 0.32 C ATOM 550 CG LYS A 35 20.337 -6.415 1.529 1.00 0.39 C ATOM 551 CD LYS A 35 21.815 -6.665 1.742 1.00 0.52 C ATOM 552 CE LYS A 35 22.340 -7.735 0.809 1.00 0.70 C ATOM 553 NZ LYS A 35 23.802 -7.944 0.989 1.00 1.29 N ATOM 0 H LYS A 35 18.841 -3.926 1.327 1.00 0.29 H new ATOM 0 HA LYS A 35 17.730 -6.256 2.085 1.00 0.29 H new ATOM 0 HB2 LYS A 35 20.262 -4.860 2.978 1.00 0.32 H new ATOM 0 HB3 LYS A 35 19.861 -6.447 3.602 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.832 -7.356 1.309 1.00 0.39 H new ATOM 0 HG3 LYS A 35 20.194 -5.767 0.665 1.00 0.39 H new ATOM 0 HD2 LYS A 35 22.368 -5.739 1.582 1.00 0.52 H new ATOM 0 HD3 LYS A 35 21.988 -6.966 2.775 1.00 0.52 H new ATOM 0 HE2 LYS A 35 21.812 -8.671 0.993 1.00 0.70 H new ATOM 0 HE3 LYS A 35 22.136 -7.451 -0.223 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 24.174 -8.498 0.191 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 24.283 -7.022 1.025 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 23.972 -8.458 1.877 1.00 1.29 H new ATOM 567 N GLU A 36 18.204 -4.323 4.712 1.00 0.29 N ATOM 568 CA GLU A 36 17.844 -4.114 6.084 1.00 0.32 C ATOM 569 C GLU A 36 16.371 -3.872 6.212 1.00 0.31 C ATOM 570 O GLU A 36 15.678 -4.692 6.777 1.00 0.39 O ATOM 571 CB GLU A 36 18.619 -2.951 6.663 1.00 0.36 C ATOM 572 CG GLU A 36 20.103 -3.130 6.501 1.00 0.37 C ATOM 573 CD GLU A 36 20.885 -1.976 7.070 1.00 0.51 C ATOM 574 OE1 GLU A 36 20.790 -1.742 8.293 1.00 1.14 O ATOM 575 OE2 GLU A 36 21.589 -1.284 6.307 1.00 1.31 O ATOM 0 H GLU A 36 18.877 -3.651 4.343 1.00 0.29 H new ATOM 0 HA GLU A 36 18.096 -5.014 6.645 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.309 -2.028 6.173 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.379 -2.846 7.721 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.411 -4.052 6.994 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.340 -3.239 5.443 1.00 0.37 H new ATOM 582 N LEU A 37 15.885 -2.785 5.640 1.00 0.27 N ATOM 583 CA LEU A 37 14.489 -2.414 5.790 1.00 0.26 C ATOM 584 C LEU A 37 13.573 -3.616 5.542 1.00 0.27 C ATOM 585 O LEU A 37 12.619 -3.828 6.265 1.00 0.31 O ATOM 586 CB LEU A 37 14.158 -1.255 4.841 1.00 0.24 C ATOM 587 CG LEU A 37 12.762 -0.657 4.998 1.00 0.31 C ATOM 588 CD1 LEU A 37 12.750 0.797 4.580 1.00 0.29 C ATOM 589 CD2 LEU A 37 11.739 -1.442 4.192 1.00 0.50 C ATOM 0 H LEU A 37 16.435 -2.144 5.068 1.00 0.27 H new ATOM 0 HA LEU A 37 14.318 -2.084 6.815 1.00 0.26 H new ATOM 0 HB2 LEU A 37 14.892 -0.464 4.991 1.00 0.24 H new ATOM 0 HB3 LEU A 37 14.272 -1.605 3.815 1.00 0.24 H new ATOM 0 HG LEU A 37 12.491 -0.719 6.052 1.00 0.31 H new ATOM 0 HD11 LEU A 37 11.745 1.202 4.700 1.00 0.29 H new ATOM 0 HD12 LEU A 37 13.445 1.360 5.203 1.00 0.29 H new ATOM 0 HD13 LEU A 37 13.051 0.878 3.536 1.00 0.29 H new ATOM 0 HD21 LEU A 37 10.753 -0.995 4.321 1.00 0.50 H new ATOM 0 HD22 LEU A 37 12.012 -1.419 3.137 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.717 -2.475 4.539 1.00 0.50 H new ATOM 601 N LEU A 38 13.891 -4.429 4.553 1.00 0.27 N ATOM 602 CA LEU A 38 13.120 -5.639 4.317 1.00 0.29 C ATOM 603 C LEU A 38 13.182 -6.580 5.519 1.00 0.31 C ATOM 604 O LEU A 38 12.153 -6.939 6.083 1.00 0.40 O ATOM 605 CB LEU A 38 13.612 -6.343 3.061 1.00 0.32 C ATOM 606 CG LEU A 38 12.854 -5.983 1.784 1.00 0.34 C ATOM 607 CD1 LEU A 38 11.402 -6.403 1.903 1.00 0.31 C ATOM 608 CD2 LEU A 38 12.951 -4.493 1.496 1.00 0.43 C ATOM 0 H LEU A 38 14.666 -4.279 3.907 1.00 0.27 H new ATOM 0 HA LEU A 38 12.078 -5.352 4.173 1.00 0.29 H new ATOM 0 HB2 LEU A 38 14.667 -6.107 2.919 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.544 -7.420 3.215 1.00 0.32 H new ATOM 0 HG LEU A 38 13.311 -6.519 0.952 1.00 0.34 H new ATOM 0 HD11 LEU A 38 10.871 -6.142 0.987 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.347 -7.480 2.060 1.00 0.31 H new ATOM 0 HD13 LEU A 38 10.943 -5.889 2.748 1.00 0.31 H new ATOM 0 HD21 LEU A 38 12.403 -4.263 0.582 1.00 0.43 H new ATOM 0 HD22 LEU A 38 12.522 -3.933 2.327 1.00 0.43 H new ATOM 0 HD23 LEU A 38 13.997 -4.214 1.372 1.00 0.43 H new ATOM 620 N THR A 39 14.388 -6.982 5.896 1.00 0.32 N ATOM 621 CA THR A 39 14.599 -7.818 7.081 1.00 0.33 C ATOM 622 C THR A 39 13.927 -7.255 8.350 1.00 0.34 C ATOM 623 O THR A 39 13.319 -7.999 9.121 1.00 0.38 O ATOM 624 CB THR A 39 16.107 -8.002 7.379 1.00 0.33 C ATOM 625 OG1 THR A 39 16.716 -6.761 7.744 1.00 0.32 O ATOM 626 CG2 THR A 39 16.849 -8.567 6.178 1.00 0.35 C ATOM 0 H THR A 39 15.245 -6.743 5.397 1.00 0.32 H new ATOM 0 HA THR A 39 14.137 -8.775 6.839 1.00 0.33 H new ATOM 0 HB THR A 39 16.176 -8.705 8.209 1.00 0.33 H new ATOM 0 HG1 THR A 39 16.310 -6.033 7.229 1.00 0.32 H new ATOM 0 HG21 THR A 39 17.905 -8.683 6.424 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.429 -9.538 5.915 1.00 0.35 H new ATOM 0 HG23 THR A 39 16.746 -7.886 5.333 1.00 0.35 H new ATOM 634 N ARG A 40 14.036 -5.949 8.555 1.00 0.34 N ATOM 635 CA ARG A 40 13.682 -5.332 9.842 1.00 0.37 C ATOM 636 C ARG A 40 12.312 -4.663 9.862 1.00 0.40 C ATOM 637 O ARG A 40 11.774 -4.420 10.941 1.00 0.47 O ATOM 638 CB ARG A 40 14.783 -4.363 10.293 1.00 0.37 C ATOM 639 CG ARG A 40 15.323 -3.491 9.213 1.00 0.63 C ATOM 640 CD ARG A 40 16.755 -3.084 9.516 1.00 0.56 C ATOM 641 NE ARG A 40 16.978 -2.854 10.941 1.00 1.16 N ATOM 642 CZ ARG A 40 18.180 -2.699 11.493 1.00 1.51 C ATOM 643 NH1 ARG A 40 19.274 -2.725 10.738 1.00 1.62 N ATOM 644 NH2 ARG A 40 18.285 -2.515 12.802 1.00 2.31 N ATOM 0 H ARG A 40 14.366 -5.290 7.850 1.00 0.34 H new ATOM 0 HA ARG A 40 13.607 -6.151 10.557 1.00 0.37 H new ATOM 0 HB2 ARG A 40 14.389 -3.731 11.089 1.00 0.37 H new ATOM 0 HB3 ARG A 40 15.603 -4.940 10.720 1.00 0.37 H new ATOM 0 HG2 ARG A 40 15.284 -4.018 8.260 1.00 0.63 H new ATOM 0 HG3 ARG A 40 14.701 -2.602 9.112 1.00 0.63 H new ATOM 0 HD2 ARG A 40 17.433 -3.862 9.166 1.00 0.56 H new ATOM 0 HD3 ARG A 40 16.997 -2.177 8.962 1.00 0.56 H new ATOM 0 HE ARG A 40 16.162 -2.809 11.552 1.00 1.16 H new ATOM 0 HH11 ARG A 40 19.195 -2.864 9.731 1.00 1.62 H new ATOM 0 HH12 ARG A 40 20.192 -2.606 11.166 1.00 1.62 H new ATOM 0 HH21 ARG A 40 17.447 -2.493 13.383 1.00 2.31 H new ATOM 0 HH22 ARG A 40 19.204 -2.396 13.228 1.00 2.31 H new ATOM 658 N GLU A 41 11.743 -4.360 8.707 1.00 0.40 N ATOM 659 CA GLU A 41 10.378 -3.861 8.672 1.00 0.46 C ATOM 660 C GLU A 41 9.430 -4.990 8.287 1.00 0.54 C ATOM 661 O GLU A 41 8.286 -5.041 8.724 1.00 0.85 O ATOM 662 CB GLU A 41 10.223 -2.714 7.669 1.00 0.52 C ATOM 663 CG GLU A 41 11.323 -1.657 7.702 1.00 0.53 C ATOM 664 CD GLU A 41 11.585 -1.043 9.058 1.00 0.51 C ATOM 665 OE1 GLU A 41 10.951 -0.027 9.397 1.00 1.30 O ATOM 666 OE2 GLU A 41 12.460 -1.545 9.787 1.00 1.02 O ATOM 0 H GLU A 41 12.195 -4.448 7.797 1.00 0.40 H new ATOM 0 HA GLU A 41 10.136 -3.484 9.666 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.180 -3.136 6.665 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.267 -2.223 7.850 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.248 -2.106 7.340 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.061 -0.861 7.005 1.00 0.53 H new ATOM 673 N LEU A 42 9.918 -5.929 7.492 1.00 0.40 N ATOM 674 CA LEU A 42 9.083 -7.033 7.043 1.00 0.41 C ATOM 675 C LEU A 42 9.709 -8.397 7.327 1.00 0.37 C ATOM 676 O LEU A 42 10.001 -9.158 6.397 1.00 0.36 O ATOM 677 CB LEU A 42 8.798 -6.878 5.554 1.00 0.44 C ATOM 678 CG LEU A 42 7.849 -5.734 5.217 1.00 0.50 C ATOM 679 CD1 LEU A 42 7.964 -5.358 3.756 1.00 0.65 C ATOM 680 CD2 LEU A 42 6.419 -6.125 5.550 1.00 0.74 C ATOM 0 H LEU A 42 10.878 -5.950 7.147 1.00 0.40 H new ATOM 0 HA LEU A 42 8.151 -6.995 7.607 1.00 0.41 H new ATOM 0 HB2 LEU A 42 9.740 -6.720 5.029 1.00 0.44 H new ATOM 0 HB3 LEU A 42 8.375 -7.809 5.177 1.00 0.44 H new ATOM 0 HG LEU A 42 8.126 -4.867 5.817 1.00 0.50 H new ATOM 0 HD11 LEU A 42 7.278 -4.540 3.536 1.00 0.65 H new ATOM 0 HD12 LEU A 42 8.985 -5.044 3.540 1.00 0.65 H new ATOM 0 HD13 LEU A 42 7.711 -6.219 3.138 1.00 0.65 H new ATOM 0 HD21 LEU A 42 5.750 -5.300 5.305 1.00 0.74 H new ATOM 0 HD22 LEU A 42 6.138 -7.004 4.971 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.342 -6.351 6.613 1.00 0.74 H new ATOM 692 N PRO A 43 9.906 -8.732 8.619 1.00 0.40 N ATOM 693 CA PRO A 43 10.394 -10.048 9.037 1.00 0.44 C ATOM 694 C PRO A 43 9.609 -11.188 8.415 1.00 0.45 C ATOM 695 O PRO A 43 10.171 -12.198 8.026 1.00 0.49 O ATOM 696 CB PRO A 43 10.160 -10.044 10.539 1.00 0.51 C ATOM 697 CG PRO A 43 10.272 -8.618 10.931 1.00 0.48 C ATOM 698 CD PRO A 43 9.707 -7.837 9.779 1.00 0.44 C ATOM 0 HA PRO A 43 11.430 -10.203 8.735 1.00 0.44 H new ATOM 0 HB2 PRO A 43 9.179 -10.448 10.788 1.00 0.51 H new ATOM 0 HB3 PRO A 43 10.898 -10.657 11.057 1.00 0.51 H new ATOM 0 HG2 PRO A 43 9.718 -8.419 11.849 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.310 -8.344 11.119 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.653 -7.606 9.930 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.226 -6.887 9.646 1.00 0.44 H new ATOM 706 N SER A 44 8.305 -11.029 8.335 1.00 0.45 N ATOM 707 CA SER A 44 7.464 -12.064 7.775 1.00 0.47 C ATOM 708 C SER A 44 7.717 -12.204 6.273 1.00 0.44 C ATOM 709 O SER A 44 8.121 -13.272 5.794 1.00 0.45 O ATOM 710 CB SER A 44 5.999 -11.748 8.052 1.00 0.51 C ATOM 711 OG SER A 44 5.147 -12.791 7.617 1.00 0.59 O ATOM 0 H SER A 44 7.806 -10.197 8.649 1.00 0.45 H new ATOM 0 HA SER A 44 7.709 -13.015 8.248 1.00 0.47 H new ATOM 0 HB2 SER A 44 5.858 -11.584 9.120 1.00 0.51 H new ATOM 0 HB3 SER A 44 5.725 -10.821 7.549 1.00 0.51 H new ATOM 0 HG SER A 44 4.216 -12.556 7.812 1.00 0.59 H new ATOM 717 N PHE A 45 7.547 -11.098 5.550 1.00 0.42 N ATOM 718 CA PHE A 45 7.583 -11.120 4.091 1.00 0.41 C ATOM 719 C PHE A 45 8.938 -11.590 3.581 1.00 0.42 C ATOM 720 O PHE A 45 9.043 -12.625 2.923 1.00 0.46 O ATOM 721 CB PHE A 45 7.276 -9.743 3.502 1.00 0.45 C ATOM 722 CG PHE A 45 7.118 -9.784 2.007 1.00 1.06 C ATOM 723 CD1 PHE A 45 5.917 -10.176 1.437 1.00 1.83 C ATOM 724 CD2 PHE A 45 8.172 -9.448 1.173 1.00 1.81 C ATOM 725 CE1 PHE A 45 5.771 -10.231 0.064 1.00 2.38 C ATOM 726 CE2 PHE A 45 8.029 -9.499 -0.200 1.00 2.38 C ATOM 727 CZ PHE A 45 6.828 -9.891 -0.756 1.00 2.41 C ATOM 0 H PHE A 45 7.383 -10.175 5.953 1.00 0.42 H new ATOM 0 HA PHE A 45 6.814 -11.822 3.768 1.00 0.41 H new ATOM 0 HB2 PHE A 45 6.362 -9.354 3.951 1.00 0.45 H new ATOM 0 HB3 PHE A 45 8.078 -9.052 3.762 1.00 0.45 H new ATOM 0 HD1 PHE A 45 5.086 -10.442 2.073 1.00 1.83 H new ATOM 0 HD2 PHE A 45 9.116 -9.143 1.601 1.00 1.81 H new ATOM 0 HE1 PHE A 45 4.830 -10.540 -0.367 1.00 2.38 H new ATOM 0 HE2 PHE A 45 8.858 -9.232 -0.839 1.00 2.38 H new ATOM 0 HZ PHE A 45 6.716 -9.932 -1.829 1.00 2.41 H new ATOM 737 N LEU A 46 9.976 -10.834 3.899 1.00 0.45 N ATOM 738 CA LEU A 46 11.298 -11.122 3.383 1.00 0.57 C ATOM 739 C LEU A 46 12.053 -12.051 4.313 1.00 0.65 C ATOM 740 O LEU A 46 12.933 -12.768 3.875 1.00 0.66 O ATOM 741 CB LEU A 46 12.085 -9.830 3.183 1.00 0.67 C ATOM 742 CG LEU A 46 12.854 -9.715 1.870 1.00 0.57 C ATOM 743 CD1 LEU A 46 14.231 -10.300 2.065 1.00 0.71 C ATOM 744 CD2 LEU A 46 12.113 -10.413 0.734 1.00 0.55 C ATOM 0 H LEU A 46 9.926 -10.019 4.510 1.00 0.45 H new ATOM 0 HA LEU A 46 11.182 -11.619 2.420 1.00 0.57 H new ATOM 0 HB2 LEU A 46 11.392 -8.991 3.251 1.00 0.67 H new ATOM 0 HB3 LEU A 46 12.792 -9.727 4.006 1.00 0.67 H new ATOM 0 HG LEU A 46 12.942 -8.665 1.591 1.00 0.57 H new ATOM 0 HD11 LEU A 46 14.793 -10.225 1.134 1.00 0.71 H new ATOM 0 HD12 LEU A 46 14.752 -9.751 2.849 1.00 0.71 H new ATOM 0 HD13 LEU A 46 14.144 -11.348 2.353 1.00 0.71 H new ATOM 0 HD21 LEU A 46 12.685 -10.314 -0.188 1.00 0.55 H new ATOM 0 HD22 LEU A 46 11.991 -11.469 0.974 1.00 0.55 H new ATOM 0 HD23 LEU A 46 11.132 -9.955 0.604 1.00 0.55 H new ATOM 756 N GLY A 47 11.697 -12.057 5.594 1.00 0.74 N ATOM 757 CA GLY A 47 12.360 -12.940 6.538 1.00 0.90 C ATOM 758 C GLY A 47 12.138 -14.394 6.192 1.00 0.89 C ATOM 759 O GLY A 47 12.879 -15.271 6.633 1.00 0.99 O ATOM 0 H GLY A 47 10.965 -11.470 5.994 1.00 0.74 H new ATOM 0 HA2 GLY A 47 13.429 -12.727 6.547 1.00 0.90 H new ATOM 0 HA3 GLY A 47 11.987 -12.744 7.543 1.00 0.90 H new ATOM 763 N LYS A 48 11.107 -14.642 5.393 1.00 0.79 N ATOM 764 CA LYS A 48 10.859 -15.965 4.845 1.00 0.82 C ATOM 765 C LYS A 48 11.987 -16.376 3.889 1.00 0.78 C ATOM 766 O LYS A 48 12.228 -17.567 3.675 1.00 0.87 O ATOM 767 CB LYS A 48 9.519 -15.960 4.115 1.00 0.82 C ATOM 768 CG LYS A 48 9.018 -17.341 3.717 1.00 1.08 C ATOM 769 CD LYS A 48 7.590 -17.290 3.187 1.00 1.51 C ATOM 770 CE LYS A 48 7.468 -16.422 1.942 1.00 2.27 C ATOM 771 NZ LYS A 48 8.235 -16.972 0.790 1.00 3.17 N ATOM 0 H LYS A 48 10.426 -13.937 5.110 1.00 0.79 H new ATOM 0 HA LYS A 48 10.828 -16.690 5.658 1.00 0.82 H new ATOM 0 HB2 LYS A 48 8.773 -15.485 4.752 1.00 0.82 H new ATOM 0 HB3 LYS A 48 9.609 -15.347 3.218 1.00 0.82 H new ATOM 0 HG2 LYS A 48 9.675 -17.761 2.955 1.00 1.08 H new ATOM 0 HG3 LYS A 48 9.063 -18.007 4.579 1.00 1.08 H new ATOM 0 HD2 LYS A 48 7.254 -18.301 2.957 1.00 1.51 H new ATOM 0 HD3 LYS A 48 6.930 -16.903 3.963 1.00 1.51 H new ATOM 0 HE2 LYS A 48 6.417 -16.333 1.666 1.00 2.27 H new ATOM 0 HE3 LYS A 48 7.825 -15.417 2.166 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 8.040 -16.404 -0.059 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 9.252 -16.939 1.003 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 7.949 -17.957 0.621 1.00 3.17 H new ATOM 785 N ARG A 49 12.687 -15.383 3.336 1.00 0.73 N ATOM 786 CA ARG A 49 13.792 -15.631 2.416 1.00 0.81 C ATOM 787 C ARG A 49 14.646 -14.368 2.253 1.00 0.74 C ATOM 788 O ARG A 49 14.532 -13.644 1.264 1.00 1.00 O ATOM 789 CB ARG A 49 13.250 -16.116 1.060 1.00 0.95 C ATOM 790 CG ARG A 49 14.278 -16.837 0.199 1.00 1.17 C ATOM 791 CD ARG A 49 15.105 -15.877 -0.640 1.00 1.02 C ATOM 792 NE ARG A 49 16.220 -16.556 -1.300 1.00 1.61 N ATOM 793 CZ ARG A 49 16.412 -16.588 -2.618 1.00 1.87 C ATOM 794 NH1 ARG A 49 15.559 -15.990 -3.438 1.00 2.14 N ATOM 795 NH2 ARG A 49 17.460 -17.226 -3.118 1.00 2.50 N ATOM 0 H ARG A 49 12.504 -14.395 3.513 1.00 0.73 H new ATOM 0 HA ARG A 49 14.429 -16.414 2.828 1.00 0.81 H new ATOM 0 HB2 ARG A 49 12.407 -16.784 1.236 1.00 0.95 H new ATOM 0 HB3 ARG A 49 12.867 -15.259 0.507 1.00 0.95 H new ATOM 0 HG2 ARG A 49 14.941 -17.419 0.840 1.00 1.17 H new ATOM 0 HG3 ARG A 49 13.768 -17.542 -0.457 1.00 1.17 H new ATOM 0 HD2 ARG A 49 14.468 -15.409 -1.391 1.00 1.02 H new ATOM 0 HD3 ARG A 49 15.490 -15.078 -0.006 1.00 1.02 H new ATOM 0 HE ARG A 49 16.898 -17.039 -0.710 1.00 1.61 H new ATOM 0 HH11 ARG A 49 14.748 -15.500 -3.061 1.00 2.14 H new ATOM 0 HH12 ARG A 49 15.714 -16.020 -4.446 1.00 2.14 H new ATOM 0 HH21 ARG A 49 18.119 -17.692 -2.494 1.00 2.50 H new ATOM 0 HH22 ARG A 49 17.608 -17.251 -4.127 1.00 2.50 H new ATOM 809 N THR A 50 15.493 -14.100 3.240 1.00 0.76 N ATOM 810 CA THR A 50 16.359 -12.927 3.209 1.00 0.73 C ATOM 811 C THR A 50 17.707 -13.261 2.573 1.00 0.82 C ATOM 812 O THR A 50 18.661 -13.618 3.269 1.00 1.33 O ATOM 813 CB THR A 50 16.611 -12.376 4.620 1.00 0.74 C ATOM 814 OG1 THR A 50 16.905 -13.452 5.522 1.00 0.84 O ATOM 815 CG2 THR A 50 15.409 -11.600 5.113 1.00 0.63 C ATOM 0 H THR A 50 15.599 -14.680 4.073 1.00 0.76 H new ATOM 0 HA THR A 50 15.845 -12.172 2.614 1.00 0.73 H new ATOM 0 HB THR A 50 17.465 -11.700 4.580 1.00 0.74 H new ATOM 0 HG1 THR A 50 17.657 -13.975 5.173 1.00 0.84 H new ATOM 0 HG21 THR A 50 15.608 -11.218 6.114 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.213 -10.766 4.439 1.00 0.63 H new ATOM 0 HG23 THR A 50 14.539 -12.256 5.141 1.00 0.63 H new ATOM 823 N ASP A 51 17.792 -13.165 1.260 1.00 0.57 N ATOM 824 CA ASP A 51 19.042 -13.457 0.573 1.00 0.62 C ATOM 825 C ASP A 51 19.404 -12.327 -0.371 1.00 0.58 C ATOM 826 O ASP A 51 18.515 -11.628 -0.853 1.00 0.55 O ATOM 827 CB ASP A 51 18.938 -14.772 -0.200 1.00 0.69 C ATOM 828 CG ASP A 51 20.272 -15.213 -0.761 1.00 1.26 C ATOM 829 OD1 ASP A 51 21.031 -15.883 -0.030 1.00 1.78 O ATOM 830 OD2 ASP A 51 20.575 -14.884 -1.924 1.00 2.01 O ATOM 0 H ASP A 51 17.022 -12.891 0.651 1.00 0.57 H new ATOM 0 HA ASP A 51 19.827 -13.555 1.322 1.00 0.62 H new ATOM 0 HB2 ASP A 51 18.548 -15.548 0.458 1.00 0.69 H new ATOM 0 HB3 ASP A 51 18.223 -14.657 -1.015 1.00 0.69 H new ATOM 835 N GLU A 52 20.693 -12.140 -0.633 1.00 0.67 N ATOM 836 CA GLU A 52 21.143 -11.078 -1.531 1.00 0.71 C ATOM 837 C GLU A 52 20.479 -11.204 -2.892 1.00 0.67 C ATOM 838 O GLU A 52 20.089 -10.203 -3.496 1.00 0.63 O ATOM 839 CB GLU A 52 22.657 -11.113 -1.694 1.00 0.87 C ATOM 840 CG GLU A 52 23.399 -11.027 -0.374 1.00 0.95 C ATOM 841 CD GLU A 52 24.892 -10.863 -0.548 1.00 1.31 C ATOM 842 OE1 GLU A 52 25.584 -11.874 -0.783 1.00 1.91 O ATOM 843 OE2 GLU A 52 25.380 -9.719 -0.438 1.00 1.81 O ATOM 0 H GLU A 52 21.444 -12.707 -0.239 1.00 0.67 H new ATOM 0 HA GLU A 52 20.858 -10.125 -1.086 1.00 0.71 H new ATOM 0 HB2 GLU A 52 22.940 -12.034 -2.204 1.00 0.87 H new ATOM 0 HB3 GLU A 52 22.967 -10.286 -2.333 1.00 0.87 H new ATOM 0 HG2 GLU A 52 23.011 -10.186 0.201 1.00 0.95 H new ATOM 0 HG3 GLU A 52 23.203 -11.928 0.207 1.00 0.95 H new ATOM 850 N ALA A 53 20.329 -12.439 -3.354 1.00 0.71 N ATOM 851 CA ALA A 53 19.679 -12.706 -4.627 1.00 0.76 C ATOM 852 C ALA A 53 18.211 -12.304 -4.571 1.00 0.66 C ATOM 853 O ALA A 53 17.630 -11.887 -5.570 1.00 0.69 O ATOM 854 CB ALA A 53 19.814 -14.174 -4.995 1.00 0.91 C ATOM 0 H ALA A 53 20.651 -13.273 -2.863 1.00 0.71 H new ATOM 0 HA ALA A 53 20.170 -12.111 -5.396 1.00 0.76 H new ATOM 0 HB1 ALA A 53 19.322 -14.356 -5.950 1.00 0.91 H new ATOM 0 HB2 ALA A 53 20.870 -14.433 -5.075 1.00 0.91 H new ATOM 0 HB3 ALA A 53 19.347 -14.787 -4.224 1.00 0.91 H new ATOM 860 N ALA A 54 17.622 -12.409 -3.386 1.00 0.60 N ATOM 861 CA ALA A 54 16.234 -12.026 -3.187 1.00 0.59 C ATOM 862 C ALA A 54 16.096 -10.512 -3.187 1.00 0.48 C ATOM 863 O ALA A 54 15.243 -9.965 -3.874 1.00 0.46 O ATOM 864 CB ALA A 54 15.688 -12.616 -1.898 1.00 0.64 C ATOM 0 H ALA A 54 18.087 -12.757 -2.548 1.00 0.60 H new ATOM 0 HA ALA A 54 15.647 -12.426 -4.014 1.00 0.59 H new ATOM 0 HB1 ALA A 54 14.648 -12.315 -1.772 1.00 0.64 H new ATOM 0 HB2 ALA A 54 15.748 -13.703 -1.941 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.275 -12.254 -1.054 1.00 0.64 H new ATOM 870 N PHE A 55 16.942 -9.838 -2.421 1.00 0.46 N ATOM 871 CA PHE A 55 16.991 -8.379 -2.447 1.00 0.42 C ATOM 872 C PHE A 55 17.290 -7.880 -3.860 1.00 0.44 C ATOM 873 O PHE A 55 16.856 -6.801 -4.256 1.00 0.45 O ATOM 874 CB PHE A 55 18.057 -7.865 -1.483 1.00 0.44 C ATOM 875 CG PHE A 55 17.805 -8.238 -0.052 1.00 1.06 C ATOM 876 CD1 PHE A 55 16.721 -7.721 0.632 1.00 1.98 C ATOM 877 CD2 PHE A 55 18.657 -9.104 0.611 1.00 1.87 C ATOM 878 CE1 PHE A 55 16.493 -8.065 1.950 1.00 2.77 C ATOM 879 CE2 PHE A 55 18.434 -9.452 1.928 1.00 2.70 C ATOM 880 CZ PHE A 55 17.351 -8.930 2.598 1.00 2.95 C ATOM 0 H PHE A 55 17.602 -10.273 -1.776 1.00 0.46 H new ATOM 0 HA PHE A 55 16.018 -7.999 -2.136 1.00 0.42 H new ATOM 0 HB2 PHE A 55 19.028 -8.257 -1.786 1.00 0.44 H new ATOM 0 HB3 PHE A 55 18.113 -6.779 -1.562 1.00 0.44 H new ATOM 0 HD1 PHE A 55 16.046 -7.042 0.132 1.00 1.98 H new ATOM 0 HD2 PHE A 55 19.510 -9.514 0.090 1.00 1.87 H new ATOM 0 HE1 PHE A 55 15.642 -7.656 2.474 1.00 2.77 H new ATOM 0 HE2 PHE A 55 19.107 -10.131 2.431 1.00 2.70 H new ATOM 0 HZ PHE A 55 17.173 -9.197 3.629 1.00 2.95 H new ATOM 890 N GLN A 56 18.032 -8.687 -4.605 1.00 0.49 N ATOM 891 CA GLN A 56 18.378 -8.391 -5.989 1.00 0.54 C ATOM 892 C GLN A 56 17.116 -8.283 -6.838 1.00 0.53 C ATOM 893 O GLN A 56 16.801 -7.205 -7.343 1.00 0.57 O ATOM 894 CB GLN A 56 19.294 -9.504 -6.513 1.00 0.62 C ATOM 895 CG GLN A 56 20.108 -9.166 -7.753 1.00 0.76 C ATOM 896 CD GLN A 56 19.270 -8.956 -8.996 1.00 0.98 C ATOM 897 OE1 GLN A 56 18.986 -7.706 -9.305 1.00 1.69 O flip ATOM 898 NE2 GLN A 56 18.917 -9.906 -9.693 1.00 0.87 N flip ATOM 0 H GLN A 56 18.413 -9.570 -4.265 1.00 0.49 H new ATOM 0 HA GLN A 56 18.899 -7.435 -6.046 1.00 0.54 H new ATOM 0 HB2 GLN A 56 19.982 -9.787 -5.716 1.00 0.62 H new ATOM 0 HB3 GLN A 56 18.682 -10.379 -6.731 1.00 0.62 H new ATOM 0 HG2 GLN A 56 20.688 -8.263 -7.560 1.00 0.76 H new ATOM 0 HG3 GLN A 56 20.821 -9.969 -7.938 1.00 0.76 H new ATOM 0 HE21 GLN A 56 19.158 -10.858 -9.417 1.00 0.87 H new ATOM 0 HE22 GLN A 56 18.383 -9.742 -10.547 1.00 0.87 H new ATOM 907 N LYS A 57 16.389 -9.386 -6.987 1.00 0.51 N ATOM 908 CA LYS A 57 15.194 -9.372 -7.823 1.00 0.52 C ATOM 909 C LYS A 57 14.118 -8.481 -7.217 1.00 0.48 C ATOM 910 O LYS A 57 13.395 -7.804 -7.941 1.00 0.48 O ATOM 911 CB LYS A 57 14.647 -10.777 -8.094 1.00 0.55 C ATOM 912 CG LYS A 57 13.741 -11.312 -7.020 1.00 0.76 C ATOM 913 CD LYS A 57 14.553 -11.952 -5.931 1.00 1.01 C ATOM 914 CE LYS A 57 15.101 -13.306 -6.354 1.00 0.87 C ATOM 915 NZ LYS A 57 14.020 -14.295 -6.605 1.00 1.60 N ATOM 0 H LYS A 57 16.600 -10.283 -6.550 1.00 0.51 H new ATOM 0 HA LYS A 57 15.490 -8.958 -8.787 1.00 0.52 H new ATOM 0 HB2 LYS A 57 14.103 -10.765 -9.038 1.00 0.55 H new ATOM 0 HB3 LYS A 57 15.486 -11.462 -8.218 1.00 0.55 H new ATOM 0 HG2 LYS A 57 13.137 -10.504 -6.607 1.00 0.76 H new ATOM 0 HG3 LYS A 57 13.051 -12.040 -7.445 1.00 0.76 H new ATOM 0 HD2 LYS A 57 15.379 -11.295 -5.660 1.00 1.01 H new ATOM 0 HD3 LYS A 57 13.936 -12.072 -5.041 1.00 1.01 H new ATOM 0 HE2 LYS A 57 15.700 -13.188 -7.257 1.00 0.87 H new ATOM 0 HE3 LYS A 57 15.766 -13.686 -5.578 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 14.411 -15.257 -6.556 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 13.276 -14.186 -5.886 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 13.615 -14.134 -7.549 1.00 1.60 H new ATOM 929 N LEU A 58 14.030 -8.474 -5.889 1.00 0.46 N ATOM 930 CA LEU A 58 13.084 -7.619 -5.184 1.00 0.43 C ATOM 931 C LEU A 58 13.316 -6.166 -5.538 1.00 0.43 C ATOM 932 O LEU A 58 12.372 -5.426 -5.802 1.00 0.42 O ATOM 933 CB LEU A 58 13.216 -7.796 -3.677 1.00 0.43 C ATOM 934 CG LEU A 58 12.165 -7.068 -2.853 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.777 -7.578 -3.198 1.00 0.40 C ATOM 936 CD2 LEU A 58 12.451 -7.241 -1.377 1.00 0.41 C ATOM 0 H LEU A 58 14.606 -9.054 -5.279 1.00 0.46 H new ATOM 0 HA LEU A 58 12.079 -7.909 -5.491 1.00 0.43 H new ATOM 0 HB2 LEU A 58 13.166 -8.860 -3.445 1.00 0.43 H new ATOM 0 HB3 LEU A 58 14.202 -7.449 -3.370 1.00 0.43 H new ATOM 0 HG LEU A 58 12.204 -6.005 -3.089 1.00 0.39 H new ATOM 0 HD11 LEU A 58 10.036 -7.048 -2.600 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.579 -7.408 -4.256 1.00 0.40 H new ATOM 0 HD13 LEU A 58 10.718 -8.645 -2.985 1.00 0.40 H new ATOM 0 HD21 LEU A 58 11.693 -6.716 -0.796 1.00 0.41 H new ATOM 0 HD22 LEU A 58 12.432 -8.301 -1.125 1.00 0.41 H new ATOM 0 HD23 LEU A 58 13.434 -6.830 -1.146 1.00 0.41 H new ATOM 948 N MET A 59 14.578 -5.766 -5.530 1.00 0.46 N ATOM 949 CA MET A 59 14.961 -4.447 -5.996 1.00 0.48 C ATOM 950 C MET A 59 14.373 -4.214 -7.369 1.00 0.48 C ATOM 951 O MET A 59 13.566 -3.325 -7.555 1.00 0.49 O ATOM 952 CB MET A 59 16.487 -4.315 -6.039 1.00 0.54 C ATOM 953 CG MET A 59 16.988 -3.102 -6.811 1.00 0.57 C ATOM 954 SD MET A 59 17.187 -3.419 -8.575 1.00 1.64 S ATOM 955 CE MET A 59 18.427 -4.704 -8.544 1.00 2.39 C ATOM 0 H MET A 59 15.356 -6.340 -5.204 1.00 0.46 H new ATOM 0 HA MET A 59 14.576 -3.696 -5.306 1.00 0.48 H new ATOM 0 HB2 MET A 59 16.865 -4.263 -5.018 1.00 0.54 H new ATOM 0 HB3 MET A 59 16.906 -5.216 -6.488 1.00 0.54 H new ATOM 0 HG2 MET A 59 16.289 -2.277 -6.673 1.00 0.57 H new ATOM 0 HG3 MET A 59 17.944 -2.783 -6.395 1.00 0.57 H new ATOM 0 HE1 MET A 59 19.109 -4.572 -9.384 1.00 2.39 H new ATOM 0 HE2 MET A 59 18.986 -4.647 -7.610 1.00 2.39 H new ATOM 0 HE3 MET A 59 17.944 -5.678 -8.619 1.00 2.39 H new ATOM 965 N SER A 60 14.739 -5.074 -8.298 1.00 0.50 N ATOM 966 CA SER A 60 14.288 -4.971 -9.684 1.00 0.53 C ATOM 967 C SER A 60 12.761 -4.924 -9.785 1.00 0.52 C ATOM 968 O SER A 60 12.210 -4.412 -10.762 1.00 0.56 O ATOM 969 CB SER A 60 14.842 -6.140 -10.492 1.00 0.56 C ATOM 970 OG SER A 60 16.259 -6.156 -10.433 1.00 1.35 O ATOM 0 H SER A 60 15.357 -5.866 -8.120 1.00 0.50 H new ATOM 0 HA SER A 60 14.666 -4.034 -10.094 1.00 0.53 H new ATOM 0 HB2 SER A 60 14.445 -7.078 -10.104 1.00 0.56 H new ATOM 0 HB3 SER A 60 14.516 -6.060 -11.529 1.00 0.56 H new ATOM 0 HG SER A 60 16.600 -6.912 -10.955 1.00 1.35 H new ATOM 976 N ASN A 61 12.085 -5.464 -8.781 1.00 0.49 N ATOM 977 CA ASN A 61 10.633 -5.435 -8.742 1.00 0.51 C ATOM 978 C ASN A 61 10.132 -4.032 -8.427 1.00 0.50 C ATOM 979 O ASN A 61 9.325 -3.457 -9.160 1.00 0.57 O ATOM 980 CB ASN A 61 10.077 -6.395 -7.675 1.00 0.49 C ATOM 981 CG ASN A 61 10.401 -7.860 -7.908 1.00 0.58 C ATOM 982 OD1 ASN A 61 10.468 -8.619 -6.818 1.00 0.80 O flip ATOM 983 ND2 ASN A 61 10.566 -8.310 -9.042 1.00 0.58 N flip ATOM 0 H ASN A 61 12.520 -5.927 -7.983 1.00 0.49 H new ATOM 0 HA ASN A 61 10.285 -5.748 -9.726 1.00 0.51 H new ATOM 0 HB2 ASN A 61 10.469 -6.101 -6.702 1.00 0.49 H new ATOM 0 HB3 ASN A 61 8.994 -6.279 -7.631 1.00 0.49 H new ATOM 0 HD21 ASN A 61 10.506 -7.691 -9.850 1.00 0.58 H new ATOM 0 HD22 ASN A 61 10.763 -9.302 -9.173 1.00 0.58 H new ATOM 990 N LEU A 62 10.633 -3.490 -7.330 1.00 0.44 N ATOM 991 CA LEU A 62 10.144 -2.229 -6.789 1.00 0.44 C ATOM 992 C LEU A 62 10.829 -1.068 -7.480 1.00 0.49 C ATOM 993 O LEU A 62 10.181 -0.126 -7.932 1.00 0.55 O ATOM 994 CB LEU A 62 10.431 -2.175 -5.292 1.00 0.38 C ATOM 995 CG LEU A 62 10.406 -3.534 -4.589 1.00 0.35 C ATOM 996 CD1 LEU A 62 10.760 -3.390 -3.118 1.00 0.31 C ATOM 997 CD2 LEU A 62 9.055 -4.212 -4.769 1.00 0.35 C ATOM 0 H LEU A 62 11.389 -3.909 -6.789 1.00 0.44 H new ATOM 0 HA LEU A 62 9.070 -2.159 -6.958 1.00 0.44 H new ATOM 0 HB2 LEU A 62 11.409 -1.720 -5.139 1.00 0.38 H new ATOM 0 HB3 LEU A 62 9.698 -1.522 -4.818 1.00 0.38 H new ATOM 0 HG LEU A 62 11.161 -4.170 -5.051 1.00 0.35 H new ATOM 0 HD11 LEU A 62 10.735 -4.369 -2.640 1.00 0.31 H new ATOM 0 HD12 LEU A 62 11.760 -2.966 -3.024 1.00 0.31 H new ATOM 0 HD13 LEU A 62 10.039 -2.732 -2.633 1.00 0.31 H new ATOM 0 HD21 LEU A 62 9.061 -5.176 -4.261 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.273 -3.583 -4.344 1.00 0.35 H new ATOM 0 HD23 LEU A 62 8.862 -4.363 -5.831 1.00 0.35 H new ATOM 1009 N ASP A 63 12.146 -1.179 -7.548 1.00 0.48 N ATOM 1010 CA ASP A 63 13.019 -0.221 -8.212 1.00 0.54 C ATOM 1011 C ASP A 63 12.730 -0.227 -9.714 1.00 0.57 C ATOM 1012 O ASP A 63 13.475 -0.787 -10.511 1.00 0.63 O ATOM 1013 CB ASP A 63 14.472 -0.628 -7.902 1.00 0.56 C ATOM 1014 CG ASP A 63 15.549 0.196 -8.580 1.00 0.67 C ATOM 1015 OD1 ASP A 63 15.704 1.385 -8.252 1.00 1.34 O ATOM 1016 OD2 ASP A 63 16.296 -0.367 -9.404 1.00 1.24 O ATOM 0 H ASP A 63 12.653 -1.960 -7.131 1.00 0.48 H new ATOM 0 HA ASP A 63 12.849 0.795 -7.856 1.00 0.54 H new ATOM 0 HB2 ASP A 63 14.623 -0.571 -6.824 1.00 0.56 H new ATOM 0 HB3 ASP A 63 14.606 -1.671 -8.188 1.00 0.56 H new ATOM 1021 N SER A 64 11.614 0.386 -10.080 1.00 0.59 N ATOM 1022 CA SER A 64 11.150 0.411 -11.455 1.00 0.64 C ATOM 1023 C SER A 64 11.955 1.435 -12.234 1.00 0.66 C ATOM 1024 O SER A 64 12.047 1.385 -13.461 1.00 0.76 O ATOM 1025 CB SER A 64 9.656 0.750 -11.490 1.00 0.72 C ATOM 1026 OG SER A 64 9.087 0.499 -12.763 1.00 1.37 O ATOM 0 H SER A 64 11.005 0.881 -9.428 1.00 0.59 H new ATOM 0 HA SER A 64 11.289 -0.568 -11.913 1.00 0.64 H new ATOM 0 HB2 SER A 64 9.133 0.162 -10.736 1.00 0.72 H new ATOM 0 HB3 SER A 64 9.516 1.799 -11.230 1.00 0.72 H new ATOM 0 HG SER A 64 8.134 0.726 -12.746 1.00 1.37 H new ATOM 1032 N ASN A 65 12.548 2.362 -11.497 1.00 0.63 N ATOM 1033 CA ASN A 65 13.462 3.330 -12.074 1.00 0.72 C ATOM 1034 C ASN A 65 14.777 2.625 -12.413 1.00 0.69 C ATOM 1035 O ASN A 65 15.575 3.122 -13.208 1.00 0.77 O ATOM 1036 CB ASN A 65 13.698 4.481 -11.090 1.00 0.79 C ATOM 1037 CG ASN A 65 14.723 4.119 -10.048 1.00 1.01 C ATOM 1038 OD1 ASN A 65 15.895 4.462 -10.175 1.00 1.65 O ATOM 1039 ND2 ASN A 65 14.293 3.423 -9.018 1.00 1.16 N ATOM 0 H ASN A 65 12.410 2.463 -10.491 1.00 0.63 H new ATOM 0 HA ASN A 65 13.035 3.750 -12.985 1.00 0.72 H new ATOM 0 HB2 ASN A 65 14.030 5.364 -11.636 1.00 0.79 H new ATOM 0 HB3 ASN A 65 12.759 4.741 -10.602 1.00 0.79 H new ATOM 0 HD21 ASN A 65 14.943 3.146 -8.282 1.00 1.16 H new ATOM 0 HD22 ASN A 65 13.309 3.160 -8.955 1.00 1.16 H new ATOM 1046 N ARG A 66 14.959 1.448 -11.810 1.00 0.60 N ATOM 1047 CA ARG A 66 16.124 0.600 -12.025 1.00 0.60 C ATOM 1048 C ARG A 66 17.438 1.343 -11.840 1.00 0.61 C ATOM 1049 O ARG A 66 18.219 1.506 -12.780 1.00 0.69 O ATOM 1050 CB ARG A 66 16.069 -0.070 -13.386 1.00 0.67 C ATOM 1051 CG ARG A 66 14.928 -1.065 -13.531 1.00 0.71 C ATOM 1052 CD ARG A 66 15.077 -2.257 -12.589 1.00 0.71 C ATOM 1053 NE ARG A 66 14.223 -3.366 -13.004 1.00 0.78 N ATOM 1054 CZ ARG A 66 14.673 -4.511 -13.513 1.00 1.20 C ATOM 1055 NH1 ARG A 66 15.978 -4.721 -13.652 1.00 2.24 N ATOM 1056 NH2 ARG A 66 13.812 -5.449 -13.879 1.00 1.15 N ATOM 0 H ARG A 66 14.288 1.055 -11.149 1.00 0.60 H new ATOM 0 HA ARG A 66 16.090 -0.172 -11.256 1.00 0.60 H new ATOM 0 HB2 ARG A 66 15.971 0.696 -14.155 1.00 0.67 H new ATOM 0 HB3 ARG A 66 17.013 -0.584 -13.567 1.00 0.67 H new ATOM 0 HG2 ARG A 66 13.982 -0.562 -13.330 1.00 0.71 H new ATOM 0 HG3 ARG A 66 14.888 -1.421 -14.560 1.00 0.71 H new ATOM 0 HD2 ARG A 66 16.117 -2.582 -12.571 1.00 0.71 H new ATOM 0 HD3 ARG A 66 14.819 -1.956 -11.573 1.00 0.71 H new ATOM 0 HE ARG A 66 13.215 -3.256 -12.897 1.00 0.78 H new ATOM 0 HH11 ARG A 66 16.643 -4.002 -13.368 1.00 2.24 H new ATOM 0 HH12 ARG A 66 16.314 -5.601 -14.043 1.00 2.24 H new ATOM 0 HH21 ARG A 66 12.810 -5.292 -13.770 1.00 1.15 H new ATOM 0 HH22 ARG A 66 14.151 -6.328 -14.270 1.00 1.15 H new ATOM 1070 N ASP A 67 17.663 1.802 -10.628 1.00 0.58 N ATOM 1071 CA ASP A 67 18.947 2.372 -10.252 1.00 0.62 C ATOM 1072 C ASP A 67 19.420 1.710 -8.965 1.00 0.56 C ATOM 1073 O ASP A 67 20.381 2.147 -8.330 1.00 0.57 O ATOM 1074 CB ASP A 67 18.849 3.890 -10.087 1.00 0.70 C ATOM 1075 CG ASP A 67 20.206 4.568 -10.061 1.00 1.07 C ATOM 1076 OD1 ASP A 67 20.919 4.523 -11.086 1.00 1.64 O ATOM 1077 OD2 ASP A 67 20.560 5.167 -9.027 1.00 1.72 O ATOM 0 H ASP A 67 16.971 1.793 -9.879 1.00 0.58 H new ATOM 0 HA ASP A 67 19.672 2.184 -11.044 1.00 0.62 H new ATOM 0 HB2 ASP A 67 18.258 4.302 -10.905 1.00 0.70 H new ATOM 0 HB3 ASP A 67 18.317 4.117 -9.163 1.00 0.70 H new ATOM 1082 N ASN A 68 18.704 0.645 -8.591 1.00 0.53 N ATOM 1083 CA ASN A 68 19.054 -0.196 -7.447 1.00 0.51 C ATOM 1084 C ASN A 68 18.779 0.507 -6.129 1.00 0.47 C ATOM 1085 O ASN A 68 19.345 0.150 -5.094 1.00 0.48 O ATOM 1086 CB ASN A 68 20.515 -0.648 -7.520 1.00 0.58 C ATOM 1087 CG ASN A 68 20.733 -1.796 -8.487 1.00 0.73 C ATOM 1088 OD1 ASN A 68 19.776 -2.030 -9.371 1.00 1.08 O flip ATOM 1089 ND2 ASN A 68 21.734 -2.508 -8.403 1.00 0.66 N flip ATOM 0 H ASN A 68 17.860 0.342 -9.078 1.00 0.53 H new ATOM 0 HA ASN A 68 18.418 -1.080 -7.492 1.00 0.51 H new ATOM 0 HB2 ASN A 68 21.136 0.196 -7.821 1.00 0.58 H new ATOM 0 HB3 ASN A 68 20.846 -0.949 -6.526 1.00 0.58 H new ATOM 0 HD21 ASN A 68 22.452 -2.298 -7.710 1.00 0.66 H new ATOM 0 HD22 ASN A 68 21.845 -3.307 -9.027 1.00 0.66 H new ATOM 1096 N GLU A 69 17.897 1.496 -6.168 1.00 0.46 N ATOM 1097 CA GLU A 69 17.475 2.188 -4.964 1.00 0.42 C ATOM 1098 C GLU A 69 15.972 2.431 -5.014 1.00 0.41 C ATOM 1099 O GLU A 69 15.473 3.177 -5.860 1.00 0.44 O ATOM 1100 CB GLU A 69 18.206 3.522 -4.798 1.00 0.46 C ATOM 1101 CG GLU A 69 19.708 3.453 -5.018 1.00 0.50 C ATOM 1102 CD GLU A 69 20.393 4.774 -4.746 1.00 0.65 C ATOM 1103 OE1 GLU A 69 20.168 5.734 -5.516 1.00 1.29 O ATOM 1104 OE2 GLU A 69 21.160 4.861 -3.766 1.00 1.31 O ATOM 0 H GLU A 69 17.460 1.836 -7.025 1.00 0.46 H new ATOM 0 HA GLU A 69 17.722 1.559 -4.109 1.00 0.42 H new ATOM 0 HB2 GLU A 69 17.782 4.243 -5.498 1.00 0.46 H new ATOM 0 HB3 GLU A 69 18.016 3.903 -3.794 1.00 0.46 H new ATOM 0 HG2 GLU A 69 20.132 2.687 -4.369 1.00 0.50 H new ATOM 0 HG3 GLU A 69 19.908 3.148 -6.045 1.00 0.50 H new ATOM 1111 N VAL A 70 15.268 1.811 -4.087 1.00 0.37 N ATOM 1112 CA VAL A 70 13.802 1.862 -4.053 1.00 0.36 C ATOM 1113 C VAL A 70 13.291 3.149 -3.406 1.00 0.35 C ATOM 1114 O VAL A 70 13.630 3.450 -2.270 1.00 0.36 O ATOM 1115 CB VAL A 70 13.231 0.652 -3.289 1.00 0.34 C ATOM 1116 CG1 VAL A 70 11.738 0.807 -3.063 1.00 0.34 C ATOM 1117 CG2 VAL A 70 13.514 -0.630 -4.045 1.00 0.37 C ATOM 0 H VAL A 70 15.684 1.259 -3.337 1.00 0.37 H new ATOM 0 HA VAL A 70 13.462 1.837 -5.088 1.00 0.36 H new ATOM 0 HB VAL A 70 13.721 0.605 -2.316 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.360 -0.060 -2.522 1.00 0.34 H new ATOM 0 HG12 VAL A 70 11.550 1.709 -2.480 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.231 0.884 -4.025 1.00 0.34 H new ATOM 0 HG21 VAL A 70 13.105 -1.476 -3.493 1.00 0.37 H new ATOM 0 HG22 VAL A 70 13.050 -0.581 -5.030 1.00 0.37 H new ATOM 0 HG23 VAL A 70 14.591 -0.756 -4.157 1.00 0.37 H new ATOM 1127 N ASP A 71 12.462 3.892 -4.126 1.00 0.38 N ATOM 1128 CA ASP A 71 11.927 5.157 -3.614 1.00 0.39 C ATOM 1129 C ASP A 71 10.724 4.928 -2.700 1.00 0.37 C ATOM 1130 O ASP A 71 10.197 3.822 -2.640 1.00 0.35 O ATOM 1131 CB ASP A 71 11.531 6.094 -4.769 1.00 0.45 C ATOM 1132 CG ASP A 71 10.025 6.280 -4.906 1.00 0.77 C ATOM 1133 OD1 ASP A 71 9.462 7.180 -4.239 1.00 1.35 O ATOM 1134 OD2 ASP A 71 9.397 5.526 -5.657 1.00 1.43 O ATOM 0 H ASP A 71 12.143 3.647 -5.063 1.00 0.38 H new ATOM 0 HA ASP A 71 12.718 5.627 -3.030 1.00 0.39 H new ATOM 0 HB2 ASP A 71 11.997 7.067 -4.614 1.00 0.45 H new ATOM 0 HB3 ASP A 71 11.927 5.695 -5.703 1.00 0.45 H new ATOM 1139 N PHE A 72 10.318 5.982 -1.981 1.00 0.41 N ATOM 1140 CA PHE A 72 9.110 5.968 -1.143 1.00 0.44 C ATOM 1141 C PHE A 72 7.952 5.248 -1.836 1.00 0.40 C ATOM 1142 O PHE A 72 7.322 4.358 -1.270 1.00 0.42 O ATOM 1143 CB PHE A 72 8.650 7.399 -0.858 1.00 0.54 C ATOM 1144 CG PHE A 72 9.371 8.131 0.239 1.00 0.94 C ATOM 1145 CD1 PHE A 72 8.915 8.057 1.545 1.00 1.70 C ATOM 1146 CD2 PHE A 72 10.470 8.926 -0.037 1.00 1.69 C ATOM 1147 CE1 PHE A 72 9.547 8.752 2.556 1.00 2.17 C ATOM 1148 CE2 PHE A 72 11.102 9.630 0.973 1.00 2.18 C ATOM 1149 CZ PHE A 72 10.640 9.541 2.269 1.00 2.15 C ATOM 0 H PHE A 72 10.818 6.871 -1.963 1.00 0.41 H new ATOM 0 HA PHE A 72 9.370 5.446 -0.222 1.00 0.44 H new ATOM 0 HB2 PHE A 72 8.749 7.978 -1.776 1.00 0.54 H new ATOM 0 HB3 PHE A 72 7.589 7.373 -0.610 1.00 0.54 H new ATOM 0 HD1 PHE A 72 8.054 7.447 1.775 1.00 1.70 H new ATOM 0 HD2 PHE A 72 10.838 8.998 -1.050 1.00 1.69 H new ATOM 0 HE1 PHE A 72 9.185 8.678 3.571 1.00 2.17 H new ATOM 0 HE2 PHE A 72 11.957 10.249 0.746 1.00 2.18 H new ATOM 0 HZ PHE A 72 11.134 10.089 3.058 1.00 2.15 H new ATOM 1159 N GLN A 73 7.688 5.656 -3.066 1.00 0.38 N ATOM 1160 CA GLN A 73 6.558 5.159 -3.835 1.00 0.37 C ATOM 1161 C GLN A 73 6.785 3.729 -4.311 1.00 0.36 C ATOM 1162 O GLN A 73 5.899 2.890 -4.181 1.00 0.37 O ATOM 1163 CB GLN A 73 6.291 6.081 -5.023 1.00 0.41 C ATOM 1164 CG GLN A 73 5.170 5.612 -5.933 1.00 0.50 C ATOM 1165 CD GLN A 73 5.681 5.052 -7.251 1.00 0.42 C ATOM 1166 OE1 GLN A 73 5.977 3.759 -7.280 1.00 0.63 O flip ATOM 1167 NE2 GLN A 73 5.818 5.779 -8.232 1.00 0.41 N flip ATOM 0 H GLN A 73 8.254 6.345 -3.562 1.00 0.38 H new ATOM 0 HA GLN A 73 5.685 5.151 -3.182 1.00 0.37 H new ATOM 0 HB2 GLN A 73 6.049 7.076 -4.650 1.00 0.41 H new ATOM 0 HB3 GLN A 73 7.205 6.174 -5.609 1.00 0.41 H new ATOM 0 HG2 GLN A 73 4.586 4.848 -5.420 1.00 0.50 H new ATOM 0 HG3 GLN A 73 4.497 6.446 -6.133 1.00 0.50 H new ATOM 0 HE21 GLN A 73 5.579 6.769 -8.171 1.00 0.41 H new ATOM 0 HE22 GLN A 73 6.170 5.393 -9.108 1.00 0.41 H new ATOM 1176 N GLU A 74 7.952 3.459 -4.887 1.00 0.37 N ATOM 1177 CA GLU A 74 8.315 2.105 -5.296 1.00 0.40 C ATOM 1178 C GLU A 74 8.209 1.164 -4.097 1.00 0.38 C ATOM 1179 O GLU A 74 7.834 -0.004 -4.220 1.00 0.41 O ATOM 1180 CB GLU A 74 9.737 2.095 -5.870 1.00 0.45 C ATOM 1181 CG GLU A 74 9.902 2.966 -7.112 1.00 0.59 C ATOM 1182 CD GLU A 74 11.346 3.085 -7.572 1.00 1.40 C ATOM 1183 OE1 GLU A 74 12.203 3.497 -6.762 1.00 2.04 O ATOM 1184 OE2 GLU A 74 11.627 2.786 -8.757 1.00 2.18 O ATOM 0 H GLU A 74 8.665 4.162 -5.082 1.00 0.37 H new ATOM 0 HA GLU A 74 7.630 1.763 -6.072 1.00 0.40 H new ATOM 0 HB2 GLU A 74 10.432 2.436 -5.103 1.00 0.45 H new ATOM 0 HB3 GLU A 74 10.013 1.070 -6.117 1.00 0.45 H new ATOM 0 HG2 GLU A 74 9.303 2.550 -7.922 1.00 0.59 H new ATOM 0 HG3 GLU A 74 9.510 3.962 -6.904 1.00 0.59 H new ATOM 1191 N TYR A 75 8.512 1.720 -2.939 1.00 0.34 N ATOM 1192 CA TYR A 75 8.422 1.029 -1.669 1.00 0.37 C ATOM 1193 C TYR A 75 6.957 0.848 -1.246 1.00 0.34 C ATOM 1194 O TYR A 75 6.566 -0.209 -0.751 1.00 0.34 O ATOM 1195 CB TYR A 75 9.194 1.846 -0.629 1.00 0.43 C ATOM 1196 CG TYR A 75 8.877 1.484 0.802 1.00 0.86 C ATOM 1197 CD1 TYR A 75 9.320 0.290 1.353 1.00 1.50 C ATOM 1198 CD2 TYR A 75 8.132 2.341 1.600 1.00 1.72 C ATOM 1199 CE1 TYR A 75 9.029 -0.037 2.662 1.00 1.86 C ATOM 1200 CE2 TYR A 75 7.839 2.020 2.906 1.00 2.09 C ATOM 1201 CZ TYR A 75 8.290 0.832 3.434 1.00 1.84 C ATOM 1202 OH TYR A 75 7.988 0.509 4.732 1.00 2.33 O ATOM 0 H TYR A 75 8.834 2.684 -2.855 1.00 0.34 H new ATOM 0 HA TYR A 75 8.855 0.032 -1.756 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.262 1.711 -0.798 1.00 0.43 H new ATOM 0 HB3 TYR A 75 8.978 2.904 -0.781 1.00 0.43 H new ATOM 0 HD1 TYR A 75 9.900 -0.392 0.750 1.00 1.50 H new ATOM 0 HD2 TYR A 75 7.777 3.275 1.190 1.00 1.72 H new ATOM 0 HE1 TYR A 75 9.379 -0.970 3.079 1.00 1.86 H new ATOM 0 HE2 TYR A 75 7.258 2.698 3.514 1.00 2.09 H new ATOM 0 HH TYR A 75 8.150 1.285 5.308 1.00 2.33 H new ATOM 1212 N SER A 76 6.153 1.885 -1.449 1.00 0.35 N ATOM 1213 CA SER A 76 4.734 1.849 -1.108 1.00 0.37 C ATOM 1214 C SER A 76 3.986 0.872 -2.015 1.00 0.36 C ATOM 1215 O SER A 76 3.054 0.189 -1.583 1.00 0.41 O ATOM 1216 CB SER A 76 4.131 3.254 -1.219 1.00 0.41 C ATOM 1217 OG SER A 76 2.742 3.245 -0.941 1.00 1.21 O ATOM 0 H SER A 76 6.463 2.769 -1.852 1.00 0.35 H new ATOM 0 HA SER A 76 4.632 1.503 -0.079 1.00 0.37 H new ATOM 0 HB2 SER A 76 4.638 3.925 -0.525 1.00 0.41 H new ATOM 0 HB3 SER A 76 4.300 3.646 -2.222 1.00 0.41 H new ATOM 0 HG SER A 76 2.313 4.003 -1.391 1.00 1.21 H new ATOM 1223 N VAL A 77 4.419 0.795 -3.267 1.00 0.35 N ATOM 1224 CA VAL A 77 3.849 -0.141 -4.223 1.00 0.36 C ATOM 1225 C VAL A 77 4.193 -1.539 -3.777 1.00 0.33 C ATOM 1226 O VAL A 77 3.404 -2.466 -3.899 1.00 0.33 O ATOM 1227 CB VAL A 77 4.394 0.076 -5.655 1.00 0.40 C ATOM 1228 CG1 VAL A 77 3.910 -1.021 -6.592 1.00 0.43 C ATOM 1229 CG2 VAL A 77 3.985 1.436 -6.189 1.00 0.44 C ATOM 0 H VAL A 77 5.169 1.375 -3.644 1.00 0.35 H new ATOM 0 HA VAL A 77 2.771 0.018 -4.254 1.00 0.36 H new ATOM 0 HB VAL A 77 5.482 0.035 -5.606 1.00 0.40 H new ATOM 0 HG11 VAL A 77 4.306 -0.846 -7.592 1.00 0.43 H new ATOM 0 HG12 VAL A 77 4.256 -1.989 -6.229 1.00 0.43 H new ATOM 0 HG13 VAL A 77 2.821 -1.015 -6.627 1.00 0.43 H new ATOM 0 HG21 VAL A 77 4.380 1.565 -7.197 1.00 0.44 H new ATOM 0 HG22 VAL A 77 2.897 1.505 -6.214 1.00 0.44 H new ATOM 0 HG23 VAL A 77 4.383 2.216 -5.541 1.00 0.44 H new ATOM 1239 N PHE A 78 5.383 -1.658 -3.233 1.00 0.32 N ATOM 1240 CA PHE A 78 5.862 -2.913 -2.702 1.00 0.29 C ATOM 1241 C PHE A 78 4.957 -3.405 -1.583 1.00 0.27 C ATOM 1242 O PHE A 78 4.405 -4.504 -1.655 1.00 0.28 O ATOM 1243 CB PHE A 78 7.281 -2.743 -2.175 1.00 0.27 C ATOM 1244 CG PHE A 78 7.782 -3.941 -1.430 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.647 -5.214 -1.960 1.00 1.22 C ATOM 1246 CD2 PHE A 78 8.378 -3.793 -0.194 1.00 1.18 C ATOM 1247 CE1 PHE A 78 8.099 -6.315 -1.270 1.00 1.24 C ATOM 1248 CE2 PHE A 78 8.833 -4.891 0.501 1.00 1.19 C ATOM 1249 CZ PHE A 78 8.692 -6.154 -0.038 1.00 0.37 C ATOM 0 H PHE A 78 6.046 -0.887 -3.146 1.00 0.32 H new ATOM 0 HA PHE A 78 5.856 -3.651 -3.504 1.00 0.29 H new ATOM 0 HB2 PHE A 78 7.950 -2.537 -3.011 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.316 -1.874 -1.518 1.00 0.27 H new ATOM 0 HD1 PHE A 78 7.182 -5.343 -2.926 1.00 1.22 H new ATOM 0 HD2 PHE A 78 8.489 -2.807 0.232 1.00 1.18 H new ATOM 0 HE1 PHE A 78 7.989 -7.302 -1.693 1.00 1.24 H new ATOM 0 HE2 PHE A 78 9.300 -4.764 1.467 1.00 1.19 H new ATOM 0 HZ PHE A 78 9.047 -7.016 0.507 1.00 0.37 H new ATOM 1259 N LEU A 79 4.811 -2.579 -0.557 1.00 0.27 N ATOM 1260 CA LEU A 79 4.028 -2.939 0.617 1.00 0.26 C ATOM 1261 C LEU A 79 2.597 -3.289 0.241 1.00 0.31 C ATOM 1262 O LEU A 79 2.026 -4.255 0.752 1.00 0.33 O ATOM 1263 CB LEU A 79 4.034 -1.799 1.629 1.00 0.29 C ATOM 1264 CG LEU A 79 5.415 -1.370 2.118 1.00 0.29 C ATOM 1265 CD1 LEU A 79 5.278 -0.417 3.280 1.00 0.40 C ATOM 1266 CD2 LEU A 79 6.257 -2.570 2.516 1.00 0.30 C ATOM 0 H LEU A 79 5.227 -1.649 -0.514 1.00 0.27 H new ATOM 0 HA LEU A 79 4.488 -3.820 1.065 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.540 -0.936 1.183 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.437 -2.097 2.491 1.00 0.29 H new ATOM 0 HG LEU A 79 5.923 -0.863 1.298 1.00 0.29 H new ATOM 0 HD11 LEU A 79 6.268 -0.116 3.622 1.00 0.40 H new ATOM 0 HD12 LEU A 79 4.720 0.464 2.964 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.747 -0.910 4.094 1.00 0.40 H new ATOM 0 HD21 LEU A 79 7.234 -2.231 2.860 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.759 -3.114 3.319 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.383 -3.228 1.656 1.00 0.30 H new ATOM 1278 N SER A 80 2.021 -2.517 -0.665 1.00 0.36 N ATOM 1279 CA SER A 80 0.669 -2.778 -1.109 1.00 0.47 C ATOM 1280 C SER A 80 0.602 -4.048 -1.931 1.00 0.37 C ATOM 1281 O SER A 80 -0.316 -4.833 -1.759 1.00 0.38 O ATOM 1282 CB SER A 80 0.125 -1.609 -1.906 1.00 0.66 C ATOM 1283 OG SER A 80 1.069 -1.153 -2.856 1.00 0.84 O ATOM 0 H SER A 80 2.467 -1.711 -1.103 1.00 0.36 H new ATOM 0 HA SER A 80 0.050 -2.910 -0.222 1.00 0.47 H new ATOM 0 HB2 SER A 80 -0.791 -1.908 -2.415 1.00 0.66 H new ATOM 0 HB3 SER A 80 -0.137 -0.795 -1.230 1.00 0.66 H new ATOM 0 HG SER A 80 1.706 -0.548 -2.420 1.00 0.84 H new ATOM 1289 N SER A 81 1.574 -4.254 -2.817 1.00 0.33 N ATOM 1290 CA SER A 81 1.621 -5.464 -3.632 1.00 0.30 C ATOM 1291 C SER A 81 1.681 -6.701 -2.747 1.00 0.24 C ATOM 1292 O SER A 81 1.189 -7.761 -3.121 1.00 0.26 O ATOM 1293 CB SER A 81 2.812 -5.434 -4.589 1.00 0.37 C ATOM 1294 OG SER A 81 2.690 -4.370 -5.515 1.00 1.22 O ATOM 0 H SER A 81 2.338 -3.600 -2.988 1.00 0.33 H new ATOM 0 HA SER A 81 0.709 -5.506 -4.227 1.00 0.30 H new ATOM 0 HB2 SER A 81 3.736 -5.324 -4.022 1.00 0.37 H new ATOM 0 HB3 SER A 81 2.877 -6.381 -5.124 1.00 0.37 H new ATOM 0 HG SER A 81 3.172 -3.586 -5.178 1.00 1.22 H new ATOM 1300 N ILE A 82 2.274 -6.555 -1.567 1.00 0.23 N ATOM 1301 CA ILE A 82 2.235 -7.604 -0.562 1.00 0.23 C ATOM 1302 C ILE A 82 0.795 -7.882 -0.167 1.00 0.27 C ATOM 1303 O ILE A 82 0.302 -9.001 -0.287 1.00 0.30 O ATOM 1304 CB ILE A 82 2.997 -7.208 0.716 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.470 -6.909 0.411 1.00 0.21 C ATOM 1306 CG2 ILE A 82 2.861 -8.308 1.760 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.274 -6.489 1.627 1.00 0.23 C ATOM 0 H ILE A 82 2.787 -5.719 -1.286 1.00 0.23 H new ATOM 0 HA ILE A 82 2.706 -8.483 -1.002 1.00 0.23 H new ATOM 0 HB ILE A 82 2.559 -6.294 1.116 1.00 0.24 H new ATOM 0 HG12 ILE A 82 4.928 -7.796 -0.027 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.523 -6.119 -0.339 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.402 -8.022 2.662 1.00 0.28 H new ATOM 0 HG22 ILE A 82 1.808 -8.454 2.000 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.276 -9.236 1.367 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.305 -6.295 1.332 1.00 0.23 H new ATOM 0 HD12 ILE A 82 4.842 -5.584 2.054 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.253 -7.286 2.370 1.00 0.23 H new ATOM 1319 N ALA A 83 0.124 -6.840 0.296 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.253 -6.944 0.736 1.00 0.36 C ATOM 1321 C ALA A 83 -2.153 -7.443 -0.400 1.00 0.37 C ATOM 1322 O ALA A 83 -3.102 -8.184 -0.164 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.717 -5.599 1.275 1.00 0.40 C ATOM 0 H ALA A 83 0.519 -5.903 0.376 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.320 -7.677 1.540 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.753 -5.677 1.606 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -1.088 -5.308 2.116 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.643 -4.847 0.489 1.00 0.40 H new ATOM 1329 N MET A 84 -1.822 -7.055 -1.631 1.00 0.37 N ATOM 1330 CA MET A 84 -2.530 -7.537 -2.818 1.00 0.43 C ATOM 1331 C MET A 84 -2.298 -9.026 -2.982 1.00 0.34 C ATOM 1332 O MET A 84 -3.237 -9.810 -2.972 1.00 0.37 O ATOM 1333 CB MET A 84 -2.051 -6.829 -4.092 1.00 0.64 C ATOM 1334 CG MET A 84 -2.060 -5.311 -4.029 1.00 0.44 C ATOM 1335 SD MET A 84 -1.403 -4.574 -5.537 1.00 1.00 S ATOM 1336 CE MET A 84 -1.107 -2.893 -4.998 1.00 1.26 C ATOM 0 H MET A 84 -1.063 -6.404 -1.834 1.00 0.37 H new ATOM 0 HA MET A 84 -3.589 -7.323 -2.676 1.00 0.43 H new ATOM 0 HB2 MET A 84 -1.037 -7.162 -4.314 1.00 0.64 H new ATOM 0 HB3 MET A 84 -2.680 -7.146 -4.924 1.00 0.64 H new ATOM 0 HG2 MET A 84 -3.079 -4.960 -3.867 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.469 -4.979 -3.175 1.00 0.44 H new ATOM 0 HE1 MET A 84 -1.010 -2.244 -5.868 1.00 1.26 H new ATOM 0 HE2 MET A 84 -1.942 -2.555 -4.385 1.00 1.26 H new ATOM 0 HE3 MET A 84 -0.188 -2.855 -4.412 1.00 1.26 H new ATOM 1346 N MET A 85 -1.033 -9.411 -3.104 1.00 0.34 N ATOM 1347 CA MET A 85 -0.680 -10.800 -3.350 1.00 0.35 C ATOM 1348 C MET A 85 -1.245 -11.697 -2.255 1.00 0.35 C ATOM 1349 O MET A 85 -1.697 -12.807 -2.529 1.00 0.42 O ATOM 1350 CB MET A 85 0.843 -10.963 -3.478 1.00 0.39 C ATOM 1351 CG MET A 85 1.590 -10.839 -2.171 1.00 1.36 C ATOM 1352 SD MET A 85 1.818 -12.416 -1.315 1.00 2.66 S ATOM 1353 CE MET A 85 2.795 -13.326 -2.512 1.00 3.35 C ATOM 0 H MET A 85 -0.236 -8.779 -3.036 1.00 0.34 H new ATOM 0 HA MET A 85 -1.124 -11.107 -4.297 1.00 0.35 H new ATOM 0 HB2 MET A 85 1.057 -11.938 -3.915 1.00 0.39 H new ATOM 0 HB3 MET A 85 1.221 -10.212 -4.172 1.00 0.39 H new ATOM 0 HG2 MET A 85 2.567 -10.394 -2.361 1.00 1.36 H new ATOM 0 HG3 MET A 85 1.050 -10.155 -1.517 1.00 1.36 H new ATOM 0 HE1 MET A 85 3.442 -14.033 -1.992 1.00 3.35 H new ATOM 0 HE2 MET A 85 2.132 -13.869 -3.186 1.00 3.35 H new ATOM 0 HE3 MET A 85 3.406 -12.630 -3.087 1.00 3.35 H new ATOM 1363 N SER A 86 -1.259 -11.191 -1.025 1.00 0.33 N ATOM 1364 CA SER A 86 -1.804 -11.934 0.095 1.00 0.39 C ATOM 1365 C SER A 86 -3.335 -11.971 0.054 1.00 0.43 C ATOM 1366 O SER A 86 -3.944 -12.899 0.575 1.00 0.57 O ATOM 1367 CB SER A 86 -1.317 -11.322 1.411 1.00 0.43 C ATOM 1368 OG SER A 86 0.103 -11.308 1.468 1.00 1.24 O ATOM 0 H SER A 86 -0.898 -10.268 -0.784 1.00 0.33 H new ATOM 0 HA SER A 86 -1.450 -12.963 0.025 1.00 0.39 H new ATOM 0 HB2 SER A 86 -1.699 -10.306 1.508 1.00 0.43 H new ATOM 0 HB3 SER A 86 -1.713 -11.893 2.251 1.00 0.43 H new ATOM 0 HG SER A 86 0.445 -10.572 0.919 1.00 1.24 H new ATOM 1374 N ASN A 87 -3.958 -10.974 -0.575 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.418 -10.897 -0.604 1.00 0.51 C ATOM 1376 C ASN A 87 -6.008 -11.740 -1.739 1.00 0.44 C ATOM 1377 O ASN A 87 -7.079 -12.338 -1.598 1.00 0.53 O ATOM 1378 CB ASN A 87 -5.906 -9.428 -0.645 1.00 0.69 C ATOM 1379 CG ASN A 87 -5.794 -8.687 -1.984 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -6.205 -9.297 -3.080 1.00 2.36 O flip ATOM 1381 ND2 ASN A 87 -5.392 -7.529 -2.011 1.00 1.49 N flip ATOM 0 H ASN A 87 -3.481 -10.217 -1.066 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.789 -11.327 0.326 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -6.951 -9.411 -0.336 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -5.344 -8.865 0.100 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -5.079 -7.078 -1.151 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -5.370 -7.017 -2.893 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.328 -11.772 -2.876 1.00 0.37 N ATOM 1389 CA GLU A 88 -5.744 -12.639 -3.969 1.00 0.43 C ATOM 1390 C GLU A 88 -5.549 -14.082 -3.545 1.00 0.52 C ATOM 1391 O GLU A 88 -6.419 -14.927 -3.723 1.00 0.66 O ATOM 1392 CB GLU A 88 -4.944 -12.350 -5.238 1.00 0.48 C ATOM 1393 CG GLU A 88 -4.426 -10.924 -5.334 1.00 0.51 C ATOM 1394 CD GLU A 88 -4.165 -10.498 -6.756 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -5.107 -10.004 -7.406 1.00 1.49 O ATOM 1396 OE2 GLU A 88 -3.022 -10.655 -7.228 1.00 1.73 O ATOM 0 H GLU A 88 -4.495 -11.214 -3.065 1.00 0.37 H new ATOM 0 HA GLU A 88 -6.794 -12.452 -4.193 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -4.098 -13.036 -5.286 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -5.571 -12.556 -6.105 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -5.151 -10.247 -4.883 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -3.505 -10.836 -4.757 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.391 -14.332 -2.958 1.00 0.50 N ATOM 1404 CA PHE A 89 -4.080 -15.618 -2.341 1.00 0.63 C ATOM 1405 C PHE A 89 -5.005 -15.892 -1.155 1.00 0.66 C ATOM 1406 O PHE A 89 -5.201 -17.044 -0.766 1.00 0.79 O ATOM 1407 CB PHE A 89 -2.617 -15.621 -1.888 1.00 0.73 C ATOM 1408 CG PHE A 89 -2.164 -16.900 -1.240 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -1.873 -18.016 -2.006 1.00 2.16 C ATOM 1410 CD2 PHE A 89 -2.021 -16.979 0.135 1.00 1.71 C ATOM 1411 CE1 PHE A 89 -1.447 -19.188 -1.413 1.00 2.80 C ATOM 1412 CE2 PHE A 89 -1.598 -18.148 0.734 1.00 2.38 C ATOM 1413 CZ PHE A 89 -1.310 -19.255 -0.040 1.00 2.70 C ATOM 0 H PHE A 89 -3.636 -13.650 -2.894 1.00 0.50 H new ATOM 0 HA PHE A 89 -4.235 -16.409 -3.075 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -1.983 -15.422 -2.752 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.466 -14.801 -1.186 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -1.980 -17.969 -3.080 1.00 2.16 H new ATOM 0 HD2 PHE A 89 -2.243 -16.116 0.745 1.00 1.71 H new ATOM 0 HE1 PHE A 89 -1.221 -20.051 -2.022 1.00 2.80 H new ATOM 0 HE2 PHE A 89 -1.492 -18.197 1.808 1.00 2.38 H new ATOM 0 HZ PHE A 89 -0.979 -20.171 0.427 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.580 -14.833 -0.595 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.529 -14.971 0.503 1.00 0.68 C ATOM 1425 C PHE A 90 -7.762 -15.715 0.011 1.00 0.68 C ATOM 1426 O PHE A 90 -8.371 -16.498 0.743 1.00 0.80 O ATOM 1427 CB PHE A 90 -6.904 -13.590 1.049 1.00 0.69 C ATOM 1428 CG PHE A 90 -7.849 -13.605 2.215 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -7.399 -13.929 3.484 1.00 1.46 C ATOM 1430 CD2 PHE A 90 -9.184 -13.278 2.043 1.00 1.53 C ATOM 1431 CE1 PHE A 90 -8.265 -13.931 4.560 1.00 1.59 C ATOM 1432 CE2 PHE A 90 -10.052 -13.277 3.115 1.00 1.64 C ATOM 1433 CZ PHE A 90 -9.593 -13.603 4.376 1.00 1.21 C ATOM 0 H PHE A 90 -5.405 -13.870 -0.883 1.00 0.60 H new ATOM 0 HA PHE A 90 -6.074 -15.542 1.313 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -5.992 -13.073 1.347 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -7.352 -13.007 0.244 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -6.360 -14.183 3.634 1.00 1.46 H new ATOM 0 HD2 PHE A 90 -9.549 -13.021 1.060 1.00 1.53 H new ATOM 0 HE1 PHE A 90 -7.903 -14.189 5.544 1.00 1.59 H new ATOM 0 HE2 PHE A 90 -11.091 -13.021 2.968 1.00 1.64 H new ATOM 0 HZ PHE A 90 -10.272 -13.601 5.216 1.00 1.21 H new ATOM 1443 N GLU A 91 -8.123 -15.467 -1.240 1.00 0.61 N ATOM 1444 CA GLU A 91 -9.178 -16.238 -1.885 1.00 0.72 C ATOM 1445 C GLU A 91 -8.604 -17.520 -2.474 1.00 0.77 C ATOM 1446 O GLU A 91 -9.254 -18.565 -2.488 1.00 0.96 O ATOM 1447 CB GLU A 91 -9.838 -15.437 -3.005 1.00 0.83 C ATOM 1448 CG GLU A 91 -10.214 -14.022 -2.618 1.00 0.92 C ATOM 1449 CD GLU A 91 -10.917 -13.292 -3.739 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -10.245 -12.911 -4.716 1.00 2.23 O ATOM 1451 OE2 GLU A 91 -12.134 -13.073 -3.633 1.00 2.25 O ATOM 0 H GLU A 91 -7.705 -14.744 -1.825 1.00 0.61 H new ATOM 0 HA GLU A 91 -9.925 -16.475 -1.128 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -9.161 -15.401 -3.858 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -10.735 -15.963 -3.332 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -10.861 -14.047 -1.741 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -9.315 -13.473 -2.336 1.00 0.92 H new ATOM 1458 N GLY A 92 -7.377 -17.421 -2.958 1.00 0.71 N ATOM 1459 CA GLY A 92 -6.754 -18.511 -3.676 1.00 0.82 C ATOM 1460 C GLY A 92 -6.673 -18.182 -5.146 1.00 0.81 C ATOM 1461 O GLY A 92 -5.745 -18.587 -5.850 1.00 0.92 O ATOM 0 H GLY A 92 -6.793 -16.590 -2.864 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -5.755 -18.694 -3.280 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -7.327 -19.427 -3.531 1.00 0.82 H new ATOM 1465 N PHE A 93 -7.656 -17.419 -5.590 1.00 0.76 N ATOM 1466 CA PHE A 93 -7.731 -16.922 -6.948 1.00 0.78 C ATOM 1467 C PHE A 93 -8.180 -15.473 -6.887 1.00 0.69 C ATOM 1468 O PHE A 93 -8.818 -15.076 -5.918 1.00 0.82 O ATOM 1469 CB PHE A 93 -8.725 -17.752 -7.772 1.00 1.00 C ATOM 1470 CG PHE A 93 -8.337 -19.197 -7.909 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -7.378 -19.584 -8.831 1.00 2.59 C ATOM 1472 CD2 PHE A 93 -8.929 -20.166 -7.116 1.00 2.41 C ATOM 1473 CE1 PHE A 93 -7.014 -20.909 -8.957 1.00 3.60 C ATOM 1474 CE2 PHE A 93 -8.571 -21.494 -7.239 1.00 3.46 C ATOM 1475 CZ PHE A 93 -7.612 -21.866 -8.160 1.00 3.91 C ATOM 0 H PHE A 93 -8.437 -17.123 -5.005 1.00 0.76 H new ATOM 0 HA PHE A 93 -6.757 -16.999 -7.430 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -9.709 -17.692 -7.307 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -8.815 -17.313 -8.766 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -6.910 -18.840 -9.458 1.00 2.59 H new ATOM 0 HD2 PHE A 93 -9.679 -19.880 -6.393 1.00 2.41 H new ATOM 0 HE1 PHE A 93 -6.263 -21.197 -9.677 1.00 3.60 H new ATOM 0 HE2 PHE A 93 -9.040 -22.241 -6.616 1.00 3.46 H new ATOM 0 HZ PHE A 93 -7.330 -22.904 -8.257 1.00 3.91 H new ATOM 1485 N PRO A 94 -7.850 -14.656 -7.892 1.00 0.64 N ATOM 1486 CA PRO A 94 -8.219 -13.241 -7.900 1.00 0.61 C ATOM 1487 C PRO A 94 -9.670 -13.059 -8.336 1.00 0.71 C ATOM 1488 O PRO A 94 -9.962 -12.526 -9.408 1.00 0.90 O ATOM 1489 CB PRO A 94 -7.249 -12.671 -8.923 1.00 0.65 C ATOM 1490 CG PRO A 94 -7.131 -13.761 -9.927 1.00 0.84 C ATOM 1491 CD PRO A 94 -7.113 -15.032 -9.116 1.00 0.83 C ATOM 0 HA PRO A 94 -8.157 -12.757 -6.925 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -7.629 -11.752 -9.370 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -6.285 -12.432 -8.474 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -7.969 -13.749 -10.624 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -6.222 -13.657 -10.519 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -7.598 -15.854 -9.643 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -6.096 -15.353 -8.892 1.00 0.83 H new ATOM 1499 N ASP A 95 -10.571 -13.480 -7.467 1.00 0.71 N ATOM 1500 CA ASP A 95 -11.975 -13.662 -7.817 1.00 0.88 C ATOM 1501 C ASP A 95 -12.731 -12.341 -7.883 1.00 0.84 C ATOM 1502 O ASP A 95 -13.836 -12.271 -8.412 1.00 0.96 O ATOM 1503 CB ASP A 95 -12.645 -14.601 -6.810 1.00 1.12 C ATOM 1504 CG ASP A 95 -14.074 -14.937 -7.183 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -14.274 -15.763 -8.100 1.00 2.40 O ATOM 1506 OD2 ASP A 95 -15.005 -14.385 -6.560 1.00 2.16 O ATOM 0 H ASP A 95 -10.353 -13.707 -6.497 1.00 0.71 H new ATOM 0 HA ASP A 95 -12.009 -14.103 -8.813 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -12.067 -15.522 -6.738 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -12.631 -14.138 -5.823 1.00 1.12 H new ATOM 1511 N LYS A 96 -12.122 -11.288 -7.382 1.00 0.81 N ATOM 1512 CA LYS A 96 -12.769 -9.989 -7.344 1.00 0.86 C ATOM 1513 C LYS A 96 -11.999 -8.999 -8.195 1.00 0.84 C ATOM 1514 O LYS A 96 -12.197 -7.786 -8.106 1.00 0.95 O ATOM 1515 CB LYS A 96 -12.891 -9.505 -5.894 1.00 0.97 C ATOM 1516 CG LYS A 96 -11.825 -10.069 -4.968 1.00 0.94 C ATOM 1517 CD LYS A 96 -10.484 -9.378 -5.141 1.00 0.65 C ATOM 1518 CE LYS A 96 -9.369 -10.147 -4.453 1.00 0.84 C ATOM 1519 NZ LYS A 96 -9.710 -10.445 -3.040 1.00 1.86 N ATOM 0 H LYS A 96 -11.179 -11.303 -6.994 1.00 0.81 H new ATOM 0 HA LYS A 96 -13.775 -10.074 -7.756 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -12.834 -8.417 -5.878 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -13.874 -9.779 -5.511 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -12.154 -9.965 -3.934 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -11.708 -11.136 -5.160 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -10.258 -9.280 -6.203 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -10.538 -8.369 -4.732 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -9.183 -11.078 -4.988 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -8.447 -9.567 -4.492 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -9.033 -11.136 -2.658 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -9.664 -9.570 -2.480 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -10.672 -10.838 -2.990 1.00 1.86 H new ATOM 1663 N SER B 3 8.606 -3.474 13.315 1.00 0.80 N ATOM 1664 CA SER B 3 8.012 -4.599 14.010 1.00 0.78 C ATOM 1665 C SER B 3 6.611 -4.904 13.412 1.00 0.65 C ATOM 1666 O SER B 3 6.360 -4.563 12.259 1.00 0.83 O ATOM 1667 CB SER B 3 7.947 -4.206 15.491 1.00 0.97 C ATOM 1668 OG SER B 3 8.983 -3.290 15.806 1.00 1.18 O ATOM 0 HA SER B 3 8.596 -5.513 13.899 1.00 0.78 H new ATOM 0 HB2 SER B 3 6.978 -3.759 15.713 1.00 0.97 H new ATOM 0 HB3 SER B 3 8.038 -5.096 16.114 1.00 0.97 H new ATOM 0 HG SER B 3 9.172 -2.729 15.025 1.00 1.18 H new ATOM 1674 N PRO B 4 5.716 -5.639 14.108 1.00 0.67 N ATOM 1675 CA PRO B 4 4.309 -5.800 13.708 1.00 0.62 C ATOM 1676 C PRO B 4 3.639 -4.630 12.930 1.00 0.47 C ATOM 1677 O PRO B 4 2.547 -4.820 12.429 1.00 0.50 O ATOM 1678 CB PRO B 4 3.635 -6.000 15.054 1.00 0.79 C ATOM 1679 CG PRO B 4 4.602 -6.844 15.807 1.00 0.97 C ATOM 1680 CD PRO B 4 5.980 -6.448 15.322 1.00 0.88 C ATOM 0 HA PRO B 4 4.219 -6.606 12.980 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.455 -5.050 15.557 1.00 0.79 H new ATOM 0 HB3 PRO B 4 2.669 -6.493 14.949 1.00 0.79 H new ATOM 0 HG2 PRO B 4 4.506 -6.681 16.881 1.00 0.97 H new ATOM 0 HG3 PRO B 4 4.416 -7.903 15.627 1.00 0.97 H new ATOM 0 HD2 PRO B 4 6.518 -5.873 16.075 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.589 -7.323 15.094 1.00 0.88 H new ATOM 1688 N LEU B 5 4.238 -3.429 12.856 1.00 0.36 N ATOM 1689 CA LEU B 5 3.629 -2.322 12.099 1.00 0.32 C ATOM 1690 C LEU B 5 3.485 -2.649 10.620 1.00 0.30 C ATOM 1691 O LEU B 5 2.422 -2.437 10.046 1.00 0.32 O ATOM 1692 CB LEU B 5 4.413 -1.020 12.238 1.00 0.32 C ATOM 1693 CG LEU B 5 3.952 0.120 11.309 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.861 1.420 12.083 1.00 0.41 C ATOM 1695 CD2 LEU B 5 4.901 0.292 10.130 1.00 0.27 C ATOM 0 H LEU B 5 5.127 -3.202 13.302 1.00 0.36 H new ATOM 0 HA LEU B 5 2.639 -2.187 12.535 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.341 -0.679 13.271 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.466 -1.225 12.043 1.00 0.32 H new ATOM 0 HG LEU B 5 2.968 -0.144 10.922 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.534 2.218 11.416 1.00 0.41 H new ATOM 0 HD12 LEU B 5 3.143 1.310 12.896 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.840 1.668 12.494 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.548 1.104 9.494 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.900 0.528 10.498 1.00 0.27 H new ATOM 0 HD23 LEU B 5 4.936 -0.632 9.553 1.00 0.27 H new ATOM 1707 N GLU B 6 4.538 -3.149 9.985 1.00 0.35 N ATOM 1708 CA GLU B 6 4.429 -3.495 8.576 1.00 0.42 C ATOM 1709 C GLU B 6 3.435 -4.656 8.427 1.00 0.34 C ATOM 1710 O GLU B 6 2.695 -4.784 7.444 1.00 0.32 O ATOM 1711 CB GLU B 6 5.785 -3.842 7.970 1.00 0.62 C ATOM 1712 CG GLU B 6 6.206 -2.919 6.825 1.00 1.80 C ATOM 1713 CD GLU B 6 6.290 -1.453 7.221 1.00 2.84 C ATOM 1714 OE1 GLU B 6 5.228 -0.825 7.387 1.00 3.61 O ATOM 1715 OE2 GLU B 6 7.418 -0.928 7.360 1.00 3.32 O ATOM 0 H GLU B 6 5.450 -3.320 10.408 1.00 0.35 H new ATOM 0 HA GLU B 6 4.061 -2.629 8.026 1.00 0.42 H new ATOM 0 HB2 GLU B 6 6.543 -3.803 8.753 1.00 0.62 H new ATOM 0 HB3 GLU B 6 5.757 -4.869 7.605 1.00 0.62 H new ATOM 0 HG2 GLU B 6 7.177 -3.241 6.449 1.00 1.80 H new ATOM 0 HG3 GLU B 6 5.496 -3.025 6.005 1.00 1.80 H new ATOM 1722 N LYS B 7 3.397 -5.480 9.459 1.00 0.35 N ATOM 1723 CA LYS B 7 2.420 -6.549 9.565 1.00 0.36 C ATOM 1724 C LYS B 7 1.041 -5.965 9.897 1.00 0.32 C ATOM 1725 O LYS B 7 0.020 -6.627 9.748 1.00 0.35 O ATOM 1726 CB LYS B 7 2.865 -7.572 10.611 1.00 0.44 C ATOM 1727 CG LYS B 7 4.278 -8.120 10.379 1.00 0.64 C ATOM 1728 CD LYS B 7 4.351 -9.190 9.282 1.00 0.80 C ATOM 1729 CE LYS B 7 4.038 -8.646 7.892 1.00 1.78 C ATOM 1730 NZ LYS B 7 2.728 -9.140 7.382 1.00 2.82 N ATOM 0 H LYS B 7 4.042 -5.427 10.247 1.00 0.35 H new ATOM 0 HA LYS B 7 2.345 -7.067 8.609 1.00 0.36 H new ATOM 0 HB2 LYS B 7 2.822 -7.111 11.598 1.00 0.44 H new ATOM 0 HB3 LYS B 7 2.159 -8.403 10.616 1.00 0.44 H new ATOM 0 HG2 LYS B 7 4.939 -7.295 10.114 1.00 0.64 H new ATOM 0 HG3 LYS B 7 4.652 -8.542 11.312 1.00 0.64 H new ATOM 0 HD2 LYS B 7 5.349 -9.629 9.277 1.00 0.80 H new ATOM 0 HD3 LYS B 7 3.651 -9.992 9.518 1.00 0.80 H new ATOM 0 HE2 LYS B 7 4.028 -7.556 7.923 1.00 1.78 H new ATOM 0 HE3 LYS B 7 4.829 -8.938 7.202 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 2.457 -8.597 6.537 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 2.809 -10.147 7.135 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 2.002 -9.021 8.117 1.00 2.82 H new ATOM 1744 N ALA B 8 1.031 -4.733 10.387 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.203 -4.016 10.670 1.00 0.29 C ATOM 1746 C ALA B 8 -0.783 -3.438 9.391 1.00 0.27 C ATOM 1747 O ALA B 8 -1.980 -3.198 9.310 1.00 0.28 O ATOM 1748 CB ALA B 8 0.011 -2.921 11.702 1.00 0.32 C ATOM 0 H ALA B 8 1.877 -4.204 10.599 1.00 0.29 H new ATOM 0 HA ALA B 8 -0.914 -4.728 11.089 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -0.932 -2.407 11.888 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.373 -3.362 12.631 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.745 -2.207 11.328 1.00 0.32 H new ATOM 1754 N LEU B 9 0.063 -3.194 8.393 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.457 -2.940 7.045 1.00 0.25 C ATOM 1756 C LEU B 9 -1.133 -4.214 6.560 1.00 0.25 C ATOM 1757 O LEU B 9 -2.109 -4.198 5.826 1.00 0.26 O ATOM 1758 CB LEU B 9 0.629 -2.546 6.036 1.00 0.26 C ATOM 1759 CG LEU B 9 1.928 -2.020 6.621 1.00 0.25 C ATOM 1760 CD1 LEU B 9 2.954 -1.819 5.522 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.714 -0.727 7.388 1.00 0.27 C ATOM 0 H LEU B 9 1.079 -3.166 8.482 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.147 -2.099 7.109 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.858 -3.417 5.421 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.220 -1.785 5.371 1.00 0.26 H new ATOM 0 HG LEU B 9 2.301 -2.763 7.326 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.881 -1.442 5.954 1.00 0.33 H new ATOM 0 HD12 LEU B 9 3.146 -2.770 5.025 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.573 -1.101 4.796 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.666 -0.382 7.792 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.308 0.031 6.718 1.00 0.27 H new ATOM 0 HD23 LEU B 9 1.015 -0.901 8.206 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.598 -5.341 6.983 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.287 -6.613 6.746 1.00 0.28 C ATOM 1775 C ASP B 10 -2.621 -6.604 7.505 1.00 0.27 C ATOM 1776 O ASP B 10 -3.635 -7.152 7.055 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.421 -7.800 7.172 1.00 0.33 C ATOM 1778 CG ASP B 10 -1.078 -9.140 6.901 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -1.831 -9.623 7.769 1.00 1.18 O ATOM 1780 OD2 ASP B 10 -0.821 -9.726 5.830 1.00 1.15 O ATOM 0 H ASP B 10 0.289 -5.414 7.481 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.478 -6.725 5.679 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.532 -7.755 6.645 1.00 0.33 H new ATOM 0 HB3 ASP B 10 -0.200 -7.718 8.236 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.625 -5.932 8.646 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.841 -5.733 9.410 1.00 0.27 C ATOM 1787 C VAL B 11 -4.772 -4.749 8.690 1.00 0.27 C ATOM 1788 O VAL B 11 -5.966 -4.756 8.924 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.530 -5.250 10.845 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.804 -4.926 11.605 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.725 -6.303 11.592 1.00 0.31 C ATOM 0 H VAL B 11 -1.793 -5.514 9.063 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.350 -6.693 9.490 1.00 0.27 H new ATOM 0 HB VAL B 11 -2.940 -4.336 10.772 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.552 -4.589 12.611 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.348 -4.138 11.084 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.428 -5.818 11.667 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.513 -5.950 12.601 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -3.297 -7.229 11.644 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.788 -6.485 11.066 1.00 0.31 H new ATOM 1801 N MET B 12 -4.224 -3.914 7.807 1.00 0.26 N ATOM 1802 CA MET B 12 -5.051 -3.063 6.938 1.00 0.29 C ATOM 1803 C MET B 12 -5.842 -3.948 5.970 1.00 0.29 C ATOM 1804 O MET B 12 -6.955 -3.629 5.561 1.00 0.33 O ATOM 1805 CB MET B 12 -4.185 -2.045 6.171 1.00 0.32 C ATOM 1806 CG MET B 12 -3.924 -2.401 4.711 1.00 0.98 C ATOM 1807 SD MET B 12 -2.493 -1.540 4.023 1.00 2.23 S ATOM 1808 CE MET B 12 -2.482 -2.182 2.352 1.00 2.75 C ATOM 0 H MET B 12 -3.219 -3.806 7.672 1.00 0.26 H new ATOM 0 HA MET B 12 -5.747 -2.495 7.555 1.00 0.29 H new ATOM 0 HB2 MET B 12 -4.672 -1.071 6.212 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.228 -1.944 6.683 1.00 0.32 H new ATOM 0 HG2 MET B 12 -3.770 -3.477 4.627 1.00 0.98 H new ATOM 0 HG3 MET B 12 -4.807 -2.158 4.120 1.00 0.98 H new ATOM 0 HE1 MET B 12 -1.464 -2.455 2.074 1.00 2.75 H new ATOM 0 HE2 MET B 12 -3.122 -3.063 2.296 1.00 2.75 H new ATOM 0 HE3 MET B 12 -2.853 -1.420 1.667 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.256 -5.080 5.608 1.00 0.29 N ATOM 1819 CA VAL B 13 -5.997 -6.106 4.882 1.00 0.31 C ATOM 1820 C VAL B 13 -7.174 -6.574 5.742 1.00 0.27 C ATOM 1821 O VAL B 13 -8.279 -6.838 5.250 1.00 0.27 O ATOM 1822 CB VAL B 13 -5.096 -7.312 4.523 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -5.877 -8.384 3.780 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -3.905 -6.858 3.696 1.00 0.42 C ATOM 0 H VAL B 13 -4.282 -5.312 5.801 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.359 -5.675 3.949 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.733 -7.746 5.455 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -5.216 -9.217 3.542 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.696 -8.738 4.407 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -6.281 -7.967 2.857 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -3.282 -7.719 3.452 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -4.257 -6.393 2.775 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.320 -6.136 4.266 1.00 0.42 H new ATOM 1834 N SER B 14 -6.930 -6.652 7.045 1.00 0.26 N ATOM 1835 CA SER B 14 -7.965 -7.042 7.995 1.00 0.26 C ATOM 1836 C SER B 14 -9.003 -5.935 8.203 1.00 0.25 C ATOM 1837 O SER B 14 -10.203 -6.223 8.263 1.00 0.25 O ATOM 1838 CB SER B 14 -7.340 -7.449 9.335 1.00 0.31 C ATOM 1839 OG SER B 14 -8.317 -7.951 10.232 1.00 1.18 O ATOM 0 H SER B 14 -6.024 -6.450 7.468 1.00 0.26 H new ATOM 0 HA SER B 14 -8.486 -7.900 7.571 1.00 0.26 H new ATOM 0 HB2 SER B 14 -6.576 -8.207 9.166 1.00 0.31 H new ATOM 0 HB3 SER B 14 -6.842 -6.589 9.782 1.00 0.31 H new ATOM 0 HG SER B 14 -8.822 -8.669 9.797 1.00 1.18 H new ATOM 1845 N THR B 15 -8.559 -4.682 8.301 1.00 0.28 N ATOM 1846 CA THR B 15 -9.473 -3.560 8.458 1.00 0.32 C ATOM 1847 C THR B 15 -10.462 -3.554 7.302 1.00 0.28 C ATOM 1848 O THR B 15 -11.666 -3.282 7.477 1.00 0.29 O ATOM 1849 CB THR B 15 -8.722 -2.206 8.549 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.798 -2.071 7.478 1.00 0.59 O ATOM 1851 CG2 THR B 15 -7.982 -2.093 9.872 1.00 0.93 C ATOM 0 H THR B 15 -7.573 -4.423 8.274 1.00 0.28 H new ATOM 0 HA THR B 15 -10.010 -3.683 9.398 1.00 0.32 H new ATOM 0 HB THR B 15 -9.462 -1.408 8.483 1.00 0.45 H new ATOM 0 HG1 THR B 15 -7.867 -2.849 6.886 1.00 0.59 H new ATOM 0 HG21 THR B 15 -7.461 -1.136 9.917 1.00 0.93 H new ATOM 0 HG22 THR B 15 -8.695 -2.157 10.694 1.00 0.93 H new ATOM 0 HG23 THR B 15 -7.259 -2.904 9.955 1.00 0.93 H new ATOM 1859 N PHE B 16 -9.953 -3.931 6.133 1.00 0.27 N ATOM 1860 CA PHE B 16 -10.764 -4.055 4.946 1.00 0.27 C ATOM 1861 C PHE B 16 -11.897 -5.048 5.136 1.00 0.29 C ATOM 1862 O PHE B 16 -13.058 -4.657 5.141 1.00 0.37 O ATOM 1863 CB PHE B 16 -9.912 -4.476 3.753 1.00 0.34 C ATOM 1864 CG PHE B 16 -10.713 -4.676 2.500 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -11.019 -3.606 1.683 1.00 1.73 C ATOM 1866 CD2 PHE B 16 -11.170 -5.932 2.147 1.00 1.65 C ATOM 1867 CE1 PHE B 16 -11.763 -3.784 0.537 1.00 2.34 C ATOM 1868 CE2 PHE B 16 -11.916 -6.117 1.004 1.00 2.27 C ATOM 1869 CZ PHE B 16 -12.213 -5.041 0.198 1.00 2.36 C ATOM 0 H PHE B 16 -8.968 -4.157 5.991 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.199 -3.074 4.754 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.150 -3.718 3.573 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.390 -5.402 3.995 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -10.671 -2.618 1.945 1.00 1.73 H new ATOM 0 HD2 PHE B 16 -10.939 -6.779 2.776 1.00 1.65 H new ATOM 0 HE1 PHE B 16 -11.993 -2.939 -0.095 1.00 2.34 H new ATOM 0 HE2 PHE B 16 -12.267 -7.104 0.741 1.00 2.27 H new ATOM 0 HZ PHE B 16 -12.798 -5.182 -0.699 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.569 -6.325 5.348 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.607 -7.356 5.386 1.00 0.40 C ATOM 1881 C HIS B 17 -13.525 -7.163 6.584 1.00 0.36 C ATOM 1882 O HIS B 17 -14.630 -7.698 6.622 1.00 0.42 O ATOM 1883 CB HIS B 17 -12.021 -8.777 5.360 1.00 0.59 C ATOM 1884 CG HIS B 17 -11.240 -9.186 6.577 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -11.821 -9.475 7.795 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -9.914 -9.389 6.740 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -10.883 -9.835 8.652 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -9.717 -9.792 8.037 1.00 2.20 N ATOM 0 H HIS B 17 -10.618 -6.664 5.493 1.00 0.31 H new ATOM 0 HA HIS B 17 -13.201 -7.243 4.479 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -12.839 -9.484 5.222 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -11.372 -8.866 4.489 1.00 0.59 H new ATOM 0 HD1 HIS B 17 -12.818 -9.419 8.001 1.00 1.54 H new ATOM 0 HD2 HIS B 17 -9.150 -9.258 5.988 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -11.043 -10.117 9.682 1.00 2.03 H new ATOM 1897 N LYS B 18 -13.061 -6.391 7.552 1.00 0.34 N ATOM 1898 CA LYS B 18 -13.888 -5.994 8.675 1.00 0.39 C ATOM 1899 C LYS B 18 -15.084 -5.175 8.200 1.00 0.37 C ATOM 1900 O LYS B 18 -16.209 -5.385 8.655 1.00 0.47 O ATOM 1901 CB LYS B 18 -13.052 -5.200 9.682 1.00 0.43 C ATOM 1902 CG LYS B 18 -13.863 -4.262 10.569 1.00 0.54 C ATOM 1903 CD LYS B 18 -13.036 -3.726 11.722 1.00 0.73 C ATOM 1904 CE LYS B 18 -11.689 -3.213 11.252 1.00 0.79 C ATOM 1905 NZ LYS B 18 -11.818 -2.191 10.183 1.00 1.28 N ATOM 0 H LYS B 18 -12.109 -6.025 7.581 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.269 -6.890 9.165 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.507 -5.900 10.316 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.309 -4.616 9.139 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.238 -3.430 9.972 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -14.732 -4.791 10.960 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -13.580 -2.921 12.217 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -12.888 -4.513 12.461 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.150 -2.785 12.098 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -11.093 -4.048 10.884 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -11.028 -1.518 10.249 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -11.799 -2.657 9.253 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -12.717 -1.681 10.297 1.00 1.28 H new ATOM 1919 N TYR B 19 -14.847 -4.249 7.277 1.00 0.29 N ATOM 1920 CA TYR B 19 -15.919 -3.389 6.795 1.00 0.29 C ATOM 1921 C TYR B 19 -16.470 -3.820 5.445 1.00 0.33 C ATOM 1922 O TYR B 19 -17.510 -3.335 5.044 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.483 -1.924 6.778 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.530 -1.315 8.158 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -16.748 -1.101 8.789 1.00 1.28 C ATOM 1926 CD2 TYR B 19 -14.372 -0.999 8.847 1.00 1.23 C ATOM 1927 CE1 TYR B 19 -16.807 -0.583 10.065 1.00 1.35 C ATOM 1928 CE2 TYR B 19 -14.426 -0.488 10.129 1.00 1.26 C ATOM 1929 CZ TYR B 19 -15.643 -0.283 10.731 1.00 0.62 C ATOM 1930 OH TYR B 19 -15.693 0.214 12.010 1.00 0.79 O ATOM 0 H TYR B 19 -13.935 -4.077 6.853 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.741 -3.494 7.503 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.471 -1.850 6.381 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -16.131 -1.359 6.108 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -17.664 -1.344 8.272 1.00 1.28 H new ATOM 0 HD2 TYR B 19 -13.413 -1.154 8.376 1.00 1.23 H new ATOM 0 HE1 TYR B 19 -17.763 -0.414 10.539 1.00 1.35 H new ATOM 0 HE2 TYR B 19 -13.514 -0.250 10.656 1.00 1.26 H new ATOM 0 HH TYR B 19 -14.782 0.371 12.336 1.00 0.79 H new ATOM 1940 N SER B 20 -15.773 -4.712 4.751 1.00 0.29 N ATOM 1941 CA SER B 20 -16.274 -5.287 3.507 1.00 0.32 C ATOM 1942 C SER B 20 -17.192 -6.456 3.795 1.00 0.40 C ATOM 1943 O SER B 20 -18.032 -6.824 2.984 1.00 0.60 O ATOM 1944 CB SER B 20 -15.114 -5.777 2.658 1.00 0.35 C ATOM 1945 OG SER B 20 -14.137 -4.772 2.528 1.00 0.86 O ATOM 0 H SER B 20 -14.854 -5.055 5.030 1.00 0.29 H new ATOM 0 HA SER B 20 -16.827 -4.514 2.973 1.00 0.32 H new ATOM 0 HB2 SER B 20 -14.673 -6.664 3.112 1.00 0.35 H new ATOM 0 HB3 SER B 20 -15.476 -6.070 1.672 1.00 0.35 H new ATOM 0 HG SER B 20 -13.575 -4.961 1.748 1.00 0.86 H new ATOM 1951 N GLY B 21 -17.005 -7.057 4.954 1.00 0.37 N ATOM 1952 CA GLY B 21 -17.773 -8.222 5.304 1.00 0.43 C ATOM 1953 C GLY B 21 -19.048 -7.873 6.021 1.00 0.41 C ATOM 1954 O GLY B 21 -19.516 -8.625 6.877 1.00 0.46 O ATOM 0 H GLY B 21 -16.333 -6.757 5.660 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -18.009 -8.783 4.400 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.171 -8.875 5.936 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.611 -6.728 5.686 1.00 0.41 N ATOM 1959 CA LYS B 22 -20.837 -6.289 6.309 1.00 0.46 C ATOM 1960 C LYS B 22 -22.018 -6.472 5.364 1.00 0.52 C ATOM 1961 O LYS B 22 -23.013 -7.114 5.705 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.724 -4.827 6.713 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.451 -4.499 7.470 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.584 -3.176 8.193 1.00 0.57 C ATOM 1965 CE LYS B 22 -20.003 -2.055 7.254 1.00 0.49 C ATOM 1966 NZ LYS B 22 -20.675 -0.962 7.995 1.00 1.08 N ATOM 0 H LYS B 22 -19.236 -6.088 4.986 1.00 0.41 H new ATOM 0 HA LYS B 22 -21.005 -6.896 7.198 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.773 -4.207 5.818 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.582 -4.563 7.331 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.234 -5.291 8.187 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.610 -4.458 6.777 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -20.318 -3.272 8.993 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.633 -2.921 8.661 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -19.127 -1.663 6.737 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -20.675 -2.448 6.491 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -21.253 -0.401 7.337 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -21.285 -1.367 8.733 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -19.959 -0.350 8.436 1.00 1.08 H new ATOM 1980 N GLU B 23 -21.889 -5.919 4.167 1.00 0.47 N ATOM 1981 CA GLU B 23 -22.964 -5.920 3.186 1.00 0.54 C ATOM 1982 C GLU B 23 -22.532 -6.606 1.889 1.00 0.58 C ATOM 1983 O GLU B 23 -21.504 -6.265 1.309 1.00 0.64 O ATOM 1984 CB GLU B 23 -23.377 -4.480 2.872 1.00 0.67 C ATOM 1985 CG GLU B 23 -23.831 -3.683 4.085 1.00 1.15 C ATOM 1986 CD GLU B 23 -25.133 -4.194 4.657 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -26.157 -4.140 3.945 1.00 1.96 O ATOM 1988 OE2 GLU B 23 -25.143 -4.653 5.820 1.00 2.38 O ATOM 0 H GLU B 23 -21.037 -5.457 3.849 1.00 0.47 H new ATOM 0 HA GLU B 23 -23.804 -6.471 3.610 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -22.536 -3.966 2.408 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -24.184 -4.497 2.140 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -23.059 -3.725 4.853 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -23.946 -2.636 3.806 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.335 -7.556 1.431 1.00 0.72 N ATOM 1996 CA GLY B 24 -23.082 -8.196 0.152 1.00 0.85 C ATOM 1997 C GLY B 24 -21.936 -9.193 0.188 1.00 0.79 C ATOM 1998 O GLY B 24 -22.114 -10.343 0.599 1.00 0.92 O ATOM 0 H GLY B 24 -24.161 -7.897 1.923 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -23.988 -8.707 -0.175 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -22.863 -7.430 -0.592 1.00 0.85 H new ATOM 2002 N ASP B 25 -20.763 -8.748 -0.242 1.00 0.71 N ATOM 2003 CA ASP B 25 -19.600 -9.621 -0.365 1.00 0.70 C ATOM 2004 C ASP B 25 -18.762 -9.600 0.906 1.00 0.73 C ATOM 2005 O ASP B 25 -19.159 -9.032 1.916 1.00 1.34 O ATOM 2006 CB ASP B 25 -18.733 -9.198 -1.565 1.00 0.72 C ATOM 2007 CG ASP B 25 -19.315 -9.633 -2.894 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -20.286 -9.006 -3.363 1.00 1.75 O ATOM 2009 OD2 ASP B 25 -18.800 -10.609 -3.480 1.00 1.64 O ATOM 0 H ASP B 25 -20.590 -7.780 -0.514 1.00 0.71 H new ATOM 0 HA ASP B 25 -19.963 -10.636 -0.525 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -18.620 -8.114 -1.561 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -17.735 -9.623 -1.454 1.00 0.72 H new ATOM 2014 N LYS B 26 -17.621 -10.268 0.854 1.00 0.61 N ATOM 2015 CA LYS B 26 -16.646 -10.237 1.938 1.00 0.56 C ATOM 2016 C LYS B 26 -15.277 -9.890 1.380 1.00 0.49 C ATOM 2017 O LYS B 26 -14.252 -10.088 2.033 1.00 0.55 O ATOM 2018 CB LYS B 26 -16.586 -11.592 2.651 1.00 0.71 C ATOM 2019 CG LYS B 26 -17.624 -11.762 3.748 1.00 1.03 C ATOM 2020 CD LYS B 26 -17.100 -11.264 5.088 1.00 0.70 C ATOM 2021 CE LYS B 26 -16.582 -12.406 5.959 1.00 0.94 C ATOM 2022 NZ LYS B 26 -15.473 -13.164 5.318 1.00 1.56 N ATOM 0 H LYS B 26 -17.343 -10.847 0.062 1.00 0.61 H new ATOM 0 HA LYS B 26 -16.950 -9.479 2.660 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -16.718 -12.384 1.914 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -15.593 -11.720 3.082 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -18.529 -11.215 3.483 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -17.900 -12.813 3.831 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -16.299 -10.544 4.919 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -17.895 -10.738 5.616 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -16.237 -12.003 6.911 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -17.402 -13.089 6.180 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -15.150 -13.916 5.960 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -15.810 -13.588 4.430 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -14.683 -12.519 5.115 1.00 1.56 H new ATOM 2036 N PHE B 27 -15.270 -9.379 0.156 1.00 0.45 N ATOM 2037 CA PHE B 27 -14.028 -9.113 -0.548 1.00 0.43 C ATOM 2038 C PHE B 27 -14.075 -7.751 -1.220 1.00 0.39 C ATOM 2039 O PHE B 27 -13.145 -7.376 -1.936 1.00 0.40 O ATOM 2040 CB PHE B 27 -13.761 -10.196 -1.599 1.00 0.49 C ATOM 2041 CG PHE B 27 -13.765 -11.596 -1.049 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -12.608 -12.159 -0.538 1.00 1.76 C ATOM 2043 CD2 PHE B 27 -14.930 -12.347 -1.041 1.00 1.28 C ATOM 2044 CE1 PHE B 27 -12.613 -13.443 -0.031 1.00 2.08 C ATOM 2045 CE2 PHE B 27 -14.940 -13.632 -0.536 1.00 1.59 C ATOM 2046 CZ PHE B 27 -13.780 -14.179 -0.029 1.00 1.65 C ATOM 0 H PHE B 27 -16.112 -9.141 -0.368 1.00 0.45 H new ATOM 0 HA PHE B 27 -13.219 -9.120 0.183 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -14.516 -10.122 -2.382 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -12.796 -10.003 -2.067 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -11.692 -11.587 -0.536 1.00 1.76 H new ATOM 0 HD2 PHE B 27 -15.841 -11.922 -1.435 1.00 1.28 H new ATOM 0 HE1 PHE B 27 -11.704 -13.871 0.364 1.00 2.08 H new ATOM 0 HE2 PHE B 27 -15.854 -14.207 -0.538 1.00 1.59 H new ATOM 0 HZ PHE B 27 -13.785 -15.183 0.369 1.00 1.65 H new ATOM 2056 N LYS B 28 -15.155 -7.013 -0.981 1.00 0.38 N ATOM 2057 CA LYS B 28 -15.357 -5.721 -1.615 1.00 0.36 C ATOM 2058 C LYS B 28 -16.174 -4.798 -0.740 1.00 0.34 C ATOM 2059 O LYS B 28 -17.103 -5.226 -0.064 1.00 0.37 O ATOM 2060 CB LYS B 28 -16.054 -5.859 -2.965 1.00 0.40 C ATOM 2061 CG LYS B 28 -15.162 -6.352 -4.084 1.00 0.49 C ATOM 2062 CD LYS B 28 -15.866 -6.220 -5.417 1.00 0.56 C ATOM 2063 CE LYS B 28 -14.945 -6.535 -6.585 1.00 0.86 C ATOM 2064 NZ LYS B 28 -13.892 -5.495 -6.764 1.00 1.70 N ATOM 0 H LYS B 28 -15.905 -7.292 -0.349 1.00 0.38 H new ATOM 0 HA LYS B 28 -14.365 -5.295 -1.765 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -16.894 -6.545 -2.858 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.468 -4.891 -3.247 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -14.234 -5.780 -4.097 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -14.891 -7.393 -3.910 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -16.724 -6.892 -5.441 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -16.252 -5.206 -5.524 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -14.473 -7.504 -6.423 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -15.534 -6.616 -7.499 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -13.351 -5.694 -7.629 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -14.338 -4.559 -6.843 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -13.251 -5.505 -5.945 1.00 1.70 H new ATOM 2078 N LEU B 29 -15.811 -3.533 -0.786 1.00 0.31 N ATOM 2079 CA LEU B 29 -16.530 -2.486 -0.094 1.00 0.28 C ATOM 2080 C LEU B 29 -17.456 -1.782 -1.059 1.00 0.30 C ATOM 2081 O LEU B 29 -17.007 -1.037 -1.932 1.00 0.33 O ATOM 2082 CB LEU B 29 -15.566 -1.447 0.476 1.00 0.26 C ATOM 2083 CG LEU B 29 -14.609 -1.933 1.543 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.389 -1.041 1.564 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.291 -1.921 2.899 1.00 0.25 C ATOM 0 H LEU B 29 -15.001 -3.201 -1.310 1.00 0.31 H new ATOM 0 HA LEU B 29 -17.093 -2.947 0.718 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -14.981 -1.036 -0.347 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -16.153 -0.627 0.891 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.304 -2.955 1.318 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -12.697 -1.388 2.332 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -12.898 -1.073 0.592 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -13.691 -0.017 1.784 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.594 -2.272 3.660 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.608 -0.906 3.138 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.162 -2.576 2.874 1.00 0.25 H new ATOM 2097 N ASN B 30 -18.737 -2.005 -0.899 1.00 0.31 N ATOM 2098 CA ASN B 30 -19.730 -1.267 -1.654 1.00 0.35 C ATOM 2099 C ASN B 30 -19.781 0.142 -1.104 1.00 0.32 C ATOM 2100 O ASN B 30 -19.201 0.395 -0.054 1.00 0.30 O ATOM 2101 CB ASN B 30 -21.087 -1.964 -1.564 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.399 -2.423 -0.159 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -20.804 -3.541 0.228 1.00 0.55 O flip ATOM 2104 ND2 ASN B 30 -22.122 -1.757 0.586 1.00 0.42 N flip ATOM 0 H ASN B 30 -19.122 -2.693 -0.252 1.00 0.31 H new ATOM 0 HA ASN B 30 -19.465 -1.229 -2.711 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -21.867 -1.283 -1.904 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.098 -2.822 -2.236 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -22.559 -0.902 0.242 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -22.283 -2.061 1.546 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.450 1.056 -1.792 1.00 0.35 N ATOM 2112 CA LYS B 31 -20.396 2.470 -1.424 1.00 0.34 C ATOM 2113 C LYS B 31 -20.653 2.696 0.064 1.00 0.31 C ATOM 2114 O LYS B 31 -19.984 3.510 0.690 1.00 0.30 O ATOM 2115 CB LYS B 31 -21.414 3.292 -2.198 1.00 0.41 C ATOM 2116 CG LYS B 31 -21.054 3.579 -3.645 1.00 0.68 C ATOM 2117 CD LYS B 31 -22.112 4.467 -4.279 1.00 0.71 C ATOM 2118 CE LYS B 31 -21.714 4.939 -5.660 1.00 1.15 C ATOM 2119 NZ LYS B 31 -20.664 5.986 -5.604 1.00 1.99 N ATOM 0 H LYS B 31 -21.033 0.850 -2.603 1.00 0.35 H new ATOM 0 HA LYS B 31 -19.384 2.792 -1.671 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -22.370 2.769 -2.176 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.558 4.241 -1.682 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -20.080 4.067 -3.696 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -20.972 2.644 -4.200 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -23.052 3.920 -4.342 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -22.289 5.331 -3.639 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -21.352 4.092 -6.243 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -22.590 5.330 -6.177 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -20.491 6.356 -6.561 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -20.979 6.760 -4.985 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -19.785 5.577 -5.227 1.00 1.99 H new ATOM 2133 N SER B 32 -21.629 1.984 0.617 1.00 0.34 N ATOM 2134 CA SER B 32 -21.972 2.131 2.027 1.00 0.37 C ATOM 2135 C SER B 32 -20.772 1.783 2.900 1.00 0.34 C ATOM 2136 O SER B 32 -20.407 2.534 3.807 1.00 0.37 O ATOM 2137 CB SER B 32 -23.161 1.229 2.379 1.00 0.45 C ATOM 2138 OG SER B 32 -23.568 1.406 3.728 1.00 1.33 O ATOM 0 H SER B 32 -22.195 1.302 0.113 1.00 0.34 H new ATOM 0 HA SER B 32 -22.251 3.168 2.213 1.00 0.37 H new ATOM 0 HB2 SER B 32 -23.996 1.450 1.714 1.00 0.45 H new ATOM 0 HB3 SER B 32 -22.889 0.186 2.214 1.00 0.45 H new ATOM 0 HG SER B 32 -24.328 0.818 3.920 1.00 1.33 H new ATOM 2144 N GLU B 33 -20.156 0.650 2.602 1.00 0.32 N ATOM 2145 CA GLU B 33 -18.998 0.184 3.340 1.00 0.34 C ATOM 2146 C GLU B 33 -17.790 1.069 3.054 1.00 0.30 C ATOM 2147 O GLU B 33 -17.015 1.385 3.956 1.00 0.32 O ATOM 2148 CB GLU B 33 -18.693 -1.256 2.955 1.00 0.44 C ATOM 2149 CG GLU B 33 -19.829 -2.218 3.245 1.00 0.59 C ATOM 2150 CD GLU B 33 -19.436 -3.646 2.958 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -18.783 -3.880 1.927 1.00 2.15 O ATOM 2152 OE2 GLU B 33 -19.782 -4.532 3.763 1.00 2.32 O ATOM 0 H GLU B 33 -20.445 0.031 1.844 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.216 0.234 4.407 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -18.457 -1.296 1.892 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -17.803 -1.586 3.492 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -20.127 -2.125 4.289 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -20.696 -1.950 2.641 1.00 0.59 H new ATOM 2159 N LEU B 34 -17.649 1.460 1.789 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.594 2.359 1.356 1.00 0.33 C ATOM 2161 C LEU B 34 -16.626 3.642 2.168 1.00 0.29 C ATOM 2162 O LEU B 34 -15.616 4.039 2.747 1.00 0.30 O ATOM 2163 CB LEU B 34 -16.764 2.693 -0.125 1.00 0.50 C ATOM 2164 CG LEU B 34 -15.646 3.539 -0.728 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -14.378 2.714 -0.854 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -16.071 4.100 -2.075 1.00 0.54 C ATOM 0 H LEU B 34 -18.268 1.158 1.037 1.00 0.30 H new ATOM 0 HA LEU B 34 -15.635 1.863 1.508 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -16.837 1.761 -0.686 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -17.709 3.220 -0.257 1.00 0.50 H new ATOM 0 HG LEU B 34 -15.442 4.380 -0.065 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -13.587 3.327 -1.285 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -14.071 2.366 0.132 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -14.565 1.856 -1.500 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -15.262 4.701 -2.491 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -16.300 3.279 -2.755 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -16.956 4.723 -1.947 1.00 0.54 H new ATOM 2178 N LYS B 35 -17.800 4.280 2.202 1.00 0.28 N ATOM 2179 CA LYS B 35 -18.003 5.484 2.997 1.00 0.29 C ATOM 2180 C LYS B 35 -17.429 5.316 4.376 1.00 0.29 C ATOM 2181 O LYS B 35 -16.547 6.066 4.797 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.481 5.804 3.157 1.00 0.32 C ATOM 2183 CG LYS B 35 -20.116 6.460 1.953 1.00 0.39 C ATOM 2184 CD LYS B 35 -21.590 6.710 2.197 1.00 0.51 C ATOM 2185 CE LYS B 35 -22.130 7.798 1.291 1.00 0.70 C ATOM 2186 NZ LYS B 35 -23.588 8.004 1.496 1.00 1.29 N ATOM 0 H LYS B 35 -18.625 3.977 1.684 1.00 0.28 H new ATOM 0 HA LYS B 35 -17.502 6.293 2.466 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -20.018 4.881 3.377 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.606 6.459 4.019 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -19.613 7.403 1.738 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -19.990 5.824 1.077 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -22.148 5.788 2.032 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.744 6.993 3.238 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -21.599 8.730 1.484 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -21.942 7.533 0.251 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -23.962 8.614 0.741 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -24.075 7.085 1.472 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -23.748 8.456 2.419 1.00 1.29 H new ATOM 2200 N GLU B 36 -17.933 4.313 5.067 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.550 4.084 6.430 1.00 0.32 C ATOM 2202 C GLU B 36 -16.075 3.839 6.529 1.00 0.31 C ATOM 2203 O GLU B 36 -15.373 4.652 7.096 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.316 2.913 7.000 1.00 0.36 C ATOM 2205 CG GLU B 36 -19.801 3.094 6.864 1.00 0.37 C ATOM 2206 CD GLU B 36 -20.570 1.930 7.425 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -20.444 1.668 8.637 1.00 1.14 O ATOM 2208 OE2 GLU B 36 -21.302 1.266 6.665 1.00 1.31 O ATOM 0 H GLU B 36 -18.611 3.646 4.698 1.00 0.29 H new ATOM 0 HA GLU B 36 -17.791 4.975 7.010 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.014 1.999 6.489 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.060 2.790 8.052 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.102 4.007 7.377 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.055 3.221 5.812 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.601 2.762 5.933 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.202 2.387 6.054 1.00 0.26 C ATOM 2217 C LEU B 37 -13.291 3.594 5.812 1.00 0.27 C ATOM 2218 O LEU B 37 -12.325 3.795 6.525 1.00 0.31 O ATOM 2219 CB LEU B 37 -13.887 1.245 5.080 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.490 0.642 5.204 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.487 -0.804 4.763 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.481 1.442 4.395 1.00 0.50 C ATOM 0 H LEU B 37 -16.162 2.131 5.361 1.00 0.27 H new ATOM 0 HA LEU B 37 -14.014 2.038 7.069 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -14.620 0.452 5.228 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -14.016 1.613 4.062 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.200 0.683 6.254 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -11.481 -1.212 4.860 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.173 -1.376 5.388 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -12.805 -0.868 3.722 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.493 0.993 4.499 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -11.772 1.439 3.345 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.453 2.468 4.761 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.621 4.422 4.842 1.00 0.27 N ATOM 2235 CA LEU B 38 -12.853 5.635 4.612 1.00 0.29 C ATOM 2236 C LEU B 38 -12.895 6.557 5.832 1.00 0.30 C ATOM 2237 O LEU B 38 -11.857 6.906 6.384 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.366 6.360 3.375 1.00 0.31 C ATOM 2239 CG LEU B 38 -12.630 6.020 2.081 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -11.175 6.439 2.183 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -12.732 4.534 1.769 1.00 0.43 C ATOM 0 H LEU B 38 -14.406 4.283 4.205 1.00 0.27 H new ATOM 0 HA LEU B 38 -11.814 5.350 4.445 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.423 6.127 3.247 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.295 7.434 3.545 1.00 0.31 H new ATOM 0 HG LEU B 38 -13.101 6.569 1.266 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -10.659 6.192 1.255 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -11.117 7.514 2.355 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -10.702 5.913 3.012 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -12.199 4.319 0.843 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -12.290 3.960 2.583 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -13.780 4.257 1.657 1.00 0.43 H new ATOM 2253 N THR B 39 -14.095 6.953 6.234 1.00 0.31 N ATOM 2254 CA THR B 39 -14.287 7.769 7.435 1.00 0.33 C ATOM 2255 C THR B 39 -13.600 7.187 8.686 1.00 0.34 C ATOM 2256 O THR B 39 -12.994 7.920 9.469 1.00 0.38 O ATOM 2257 CB THR B 39 -15.789 7.949 7.760 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.387 6.702 8.117 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.552 8.532 6.581 1.00 0.34 C ATOM 0 H THR B 39 -14.959 6.722 5.744 1.00 0.31 H new ATOM 0 HA THR B 39 -13.825 8.728 7.199 1.00 0.33 H new ATOM 0 HB THR B 39 -15.846 8.641 8.600 1.00 0.33 H new ATOM 0 HG1 THR B 39 -15.969 5.980 7.603 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.603 8.644 6.847 1.00 0.34 H new ATOM 0 HG22 THR B 39 -16.137 9.507 6.325 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.464 7.864 5.724 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.702 5.874 8.868 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.327 5.235 10.139 1.00 0.36 C ATOM 2269 C ARG B 40 -11.958 4.566 10.125 1.00 0.40 C ATOM 2270 O ARG B 40 -11.402 4.308 11.190 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.422 4.260 10.591 1.00 0.37 C ATOM 2272 CG ARG B 40 -14.981 3.406 9.506 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.409 2.997 9.825 1.00 0.56 C ATOM 2274 NE ARG B 40 -16.610 2.741 11.247 1.00 1.16 N ATOM 2275 CZ ARG B 40 -17.804 2.583 11.816 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -18.910 2.617 11.079 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -17.890 2.373 13.121 1.00 2.31 N ATOM 0 H ARG B 40 -14.040 5.226 8.156 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.239 6.041 10.867 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.016 3.615 11.370 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -15.235 4.831 11.041 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -14.955 3.948 8.561 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -14.362 2.517 9.381 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -17.090 3.783 9.500 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.663 2.101 9.258 1.00 0.56 H new ATOM 0 HE ARG B 40 -15.785 2.679 11.843 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.847 2.765 10.072 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -19.821 2.495 11.521 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -17.043 2.333 13.688 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -18.803 2.252 13.559 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.408 4.283 8.957 1.00 0.40 N ATOM 2292 CA GLU B 41 -10.044 3.786 8.893 1.00 0.46 C ATOM 2293 C GLU B 41 -9.102 4.921 8.511 1.00 0.54 C ATOM 2294 O GLU B 41 -7.953 4.967 8.935 1.00 0.85 O ATOM 2295 CB GLU B 41 -9.906 2.655 7.869 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.005 1.599 7.903 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.243 0.963 9.253 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -10.605 -0.062 9.560 1.00 1.30 O ATOM 2299 OE2 GLU B 41 -12.101 1.453 10.007 1.00 1.02 O ATOM 0 H GLU B 41 -11.874 4.386 8.055 1.00 0.40 H new ATOM 0 HA GLU B 41 -9.785 3.394 9.877 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -9.879 3.093 6.871 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -8.947 2.161 8.027 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -11.936 2.055 7.565 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -10.756 0.815 7.188 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.603 5.873 7.738 1.00 0.40 N ATOM 2307 CA LEU B 42 -8.775 6.983 7.293 1.00 0.41 C ATOM 2308 C LEU B 42 -9.396 8.341 7.611 1.00 0.37 C ATOM 2309 O LEU B 42 -9.704 9.118 6.700 1.00 0.35 O ATOM 2310 CB LEU B 42 -8.513 6.852 5.799 1.00 0.44 C ATOM 2311 CG LEU B 42 -7.570 5.714 5.427 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -7.709 5.361 3.962 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.135 6.097 5.746 1.00 0.74 C ATOM 0 H LEU B 42 -10.568 5.900 7.409 1.00 0.40 H new ATOM 0 HA LEU B 42 -7.833 6.936 7.840 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -9.463 6.703 5.287 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.096 7.789 5.431 1.00 0.44 H new ATOM 0 HG LEU B 42 -7.838 4.837 6.016 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -7.027 4.547 3.718 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -8.734 5.050 3.758 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -7.467 6.232 3.353 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -5.471 5.276 5.476 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -5.861 6.987 5.179 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.042 6.303 6.812 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.572 8.654 8.910 1.00 0.40 N ATOM 2326 CA PRO B 43 -10.052 9.964 9.356 1.00 0.43 C ATOM 2327 C PRO B 43 -9.276 11.115 8.744 1.00 0.45 C ATOM 2328 O PRO B 43 -9.842 12.137 8.389 1.00 0.49 O ATOM 2329 CB PRO B 43 -9.796 9.934 10.854 1.00 0.50 C ATOM 2330 CG PRO B 43 -9.898 8.502 11.223 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.353 7.741 10.051 1.00 0.44 C ATOM 0 HA PRO B 43 -11.091 10.124 9.070 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -8.812 10.336 11.096 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -10.528 10.535 11.393 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.328 8.289 12.127 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -10.932 8.222 11.425 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.296 7.508 10.181 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -9.873 6.793 9.912 1.00 0.44 H new ATOM 2339 N SER B 44 -7.975 10.953 8.636 1.00 0.45 N ATOM 2340 CA SER B 44 -7.142 11.997 8.081 1.00 0.47 C ATOM 2341 C SER B 44 -7.419 12.165 6.587 1.00 0.44 C ATOM 2342 O SER B 44 -7.831 13.245 6.136 1.00 0.45 O ATOM 2343 CB SER B 44 -5.674 11.678 8.331 1.00 0.51 C ATOM 2344 OG SER B 44 -4.832 12.731 7.899 1.00 0.59 O ATOM 0 H SER B 44 -7.473 10.113 8.924 1.00 0.45 H new ATOM 0 HA SER B 44 -7.379 12.940 8.574 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.516 11.498 9.394 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.406 10.759 7.809 1.00 0.51 H new ATOM 0 HG SER B 44 -3.897 12.496 8.075 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.263 11.071 5.842 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.319 11.118 4.384 1.00 0.41 C ATOM 2352 C PHE B 45 -8.681 11.596 3.899 1.00 0.41 C ATOM 2353 O PHE B 45 -8.795 12.636 3.248 1.00 0.46 O ATOM 2354 CB PHE B 45 -7.021 9.750 3.771 1.00 0.45 C ATOM 2355 CG PHE B 45 -6.889 9.813 2.274 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -5.697 10.212 1.691 1.00 1.83 C ATOM 2357 CD2 PHE B 45 -7.957 9.492 1.453 1.00 1.81 C ATOM 2358 CE1 PHE B 45 -5.573 10.287 0.317 1.00 2.38 C ATOM 2359 CE2 PHE B 45 -7.838 9.564 0.079 1.00 2.37 C ATOM 2360 CZ PHE B 45 -6.646 9.962 -0.490 1.00 2.40 C ATOM 0 H PHE B 45 -7.097 10.141 6.226 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.556 11.826 4.062 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -6.099 9.355 4.199 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -7.818 9.055 4.035 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -4.855 10.467 2.318 1.00 1.83 H new ATOM 0 HD2 PHE B 45 -8.894 9.182 1.892 1.00 1.81 H new ATOM 0 HE1 PHE B 45 -4.639 10.599 -0.125 1.00 2.38 H new ATOM 0 HE2 PHE B 45 -8.678 9.309 -0.550 1.00 2.37 H new ATOM 0 HZ PHE B 45 -6.552 10.019 -1.564 1.00 2.40 H new ATOM 2370 N LEU B 46 -9.715 10.837 4.226 1.00 0.45 N ATOM 2371 CA LEU B 46 -11.045 11.132 3.737 1.00 0.57 C ATOM 2372 C LEU B 46 -11.783 12.048 4.694 1.00 0.65 C ATOM 2373 O LEU B 46 -12.670 12.773 4.281 1.00 0.66 O ATOM 2374 CB LEU B 46 -11.836 9.843 3.530 1.00 0.67 C ATOM 2375 CG LEU B 46 -12.626 9.750 2.228 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -13.999 10.332 2.454 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -11.902 10.467 1.091 1.00 0.54 C ATOM 0 H LEU B 46 -9.655 10.015 4.827 1.00 0.45 H new ATOM 0 HA LEU B 46 -10.946 11.643 2.779 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -11.143 9.003 3.573 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -12.530 9.727 4.363 1.00 0.67 H new ATOM 0 HG LEU B 46 -12.719 8.705 1.933 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -14.576 10.272 1.531 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -14.508 9.770 3.237 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -13.907 11.375 2.757 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -12.489 10.384 0.176 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -11.775 11.519 1.346 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -10.924 10.011 0.937 1.00 0.54 H new ATOM 2389 N GLY B 47 -11.406 12.033 5.967 1.00 0.74 N ATOM 2390 CA GLY B 47 -12.055 12.900 6.935 1.00 0.90 C ATOM 2391 C GLY B 47 -11.836 14.359 6.611 1.00 0.89 C ATOM 2392 O GLY B 47 -12.562 15.232 7.091 1.00 0.99 O ATOM 0 H GLY B 47 -10.667 11.440 6.346 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -13.124 12.688 6.955 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -11.669 12.686 7.932 1.00 0.90 H new ATOM 2396 N LYS B 48 -10.820 14.621 5.800 1.00 0.79 N ATOM 2397 CA LYS B 48 -10.582 15.952 5.271 1.00 0.82 C ATOM 2398 C LYS B 48 -11.721 16.378 4.337 1.00 0.78 C ATOM 2399 O LYS B 48 -11.957 17.570 4.134 1.00 0.87 O ATOM 2400 CB LYS B 48 -9.251 15.955 4.525 1.00 0.81 C ATOM 2401 CG LYS B 48 -8.754 17.341 4.142 1.00 1.08 C ATOM 2402 CD LYS B 48 -7.337 17.299 3.585 1.00 1.51 C ATOM 2403 CE LYS B 48 -7.242 16.454 2.323 1.00 2.27 C ATOM 2404 NZ LYS B 48 -8.028 17.028 1.199 1.00 3.17 N ATOM 0 H LYS B 48 -10.144 13.921 5.494 1.00 0.79 H new ATOM 0 HA LYS B 48 -10.543 16.666 6.094 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.498 15.470 5.146 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -9.353 15.355 3.621 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -9.424 17.775 3.400 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -8.782 17.992 5.016 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -7.004 18.314 3.367 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -6.663 16.897 4.341 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -6.197 16.366 2.025 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -7.599 15.446 2.536 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -7.839 16.487 0.331 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -9.042 16.979 1.424 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -7.753 18.021 1.054 1.00 3.17 H new ATOM 2418 N ARG B 49 -12.435 15.396 3.785 1.00 0.73 N ATOM 2419 CA ARG B 49 -13.554 15.660 2.887 1.00 0.81 C ATOM 2420 C ARG B 49 -14.409 14.398 2.713 1.00 0.74 C ATOM 2421 O ARG B 49 -14.304 13.691 1.709 1.00 1.00 O ATOM 2422 CB ARG B 49 -13.032 16.166 1.531 1.00 0.95 C ATOM 2423 CG ARG B 49 -14.072 16.902 0.698 1.00 1.17 C ATOM 2424 CD ARG B 49 -14.911 15.956 -0.143 1.00 1.01 C ATOM 2425 NE ARG B 49 -16.033 16.648 -0.776 1.00 1.61 N ATOM 2426 CZ ARG B 49 -16.248 16.693 -2.091 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -15.409 16.104 -2.934 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -17.304 17.340 -2.564 1.00 2.50 N ATOM 0 H ARG B 49 -12.254 14.405 3.947 1.00 0.73 H new ATOM 0 HA ARG B 49 -14.185 16.435 3.323 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -12.186 16.830 1.705 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -12.658 15.317 0.958 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -14.724 17.474 1.358 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -13.572 17.618 0.046 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -14.286 15.499 -0.910 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -15.288 15.148 0.484 1.00 1.01 H new ATOM 0 HE ARG B 49 -16.697 17.129 -0.170 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -14.590 15.611 -2.578 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -15.583 16.144 -3.938 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -17.949 17.801 -1.922 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -17.472 17.376 -3.569 1.00 2.50 H new ATOM 2442 N THR B 50 -15.240 14.112 3.708 1.00 0.75 N ATOM 2443 CA THR B 50 -16.105 12.938 3.672 1.00 0.72 C ATOM 2444 C THR B 50 -17.464 13.280 3.068 1.00 0.82 C ATOM 2445 O THR B 50 -18.405 13.614 3.791 1.00 1.33 O ATOM 2446 CB THR B 50 -16.334 12.365 5.080 1.00 0.73 C ATOM 2447 OG1 THR B 50 -16.615 13.426 6.005 1.00 0.83 O ATOM 2448 CG2 THR B 50 -15.124 11.580 5.544 1.00 0.63 C ATOM 0 H THR B 50 -15.334 14.678 4.551 1.00 0.75 H new ATOM 0 HA THR B 50 -15.599 12.195 3.055 1.00 0.72 H new ATOM 0 HB THR B 50 -17.189 11.690 5.040 1.00 0.73 H new ATOM 0 HG1 THR B 50 -17.344 13.980 5.656 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.308 11.184 6.543 1.00 0.63 H new ATOM 0 HG22 THR B 50 -14.939 10.756 4.855 1.00 0.63 H new ATOM 0 HG23 THR B 50 -14.253 12.235 5.569 1.00 0.63 H new ATOM 2456 N ASP B 51 -17.572 13.212 1.754 1.00 0.57 N ATOM 2457 CA ASP B 51 -18.834 13.516 1.091 1.00 0.61 C ATOM 2458 C ASP B 51 -19.209 12.400 0.133 1.00 0.58 C ATOM 2459 O ASP B 51 -18.328 11.711 -0.378 1.00 0.54 O ATOM 2460 CB ASP B 51 -18.744 14.843 0.338 1.00 0.68 C ATOM 2461 CG ASP B 51 -20.087 15.298 -0.196 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -20.819 15.987 0.543 1.00 1.77 O ATOM 2463 OD2 ASP B 51 -20.418 14.967 -1.353 1.00 2.01 O ATOM 0 H ASP B 51 -16.811 12.952 1.127 1.00 0.57 H new ATOM 0 HA ASP B 51 -19.607 13.602 1.854 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -18.343 15.608 1.003 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -18.043 14.741 -0.490 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.503 12.217 -0.111 1.00 0.67 N ATOM 2469 CA GLU B 52 -20.969 11.171 -1.018 1.00 0.71 C ATOM 2470 C GLU B 52 -20.326 11.316 -2.387 1.00 0.66 C ATOM 2471 O GLU B 52 -19.948 10.326 -3.011 1.00 0.63 O ATOM 2472 CB GLU B 52 -22.485 11.210 -1.158 1.00 0.87 C ATOM 2473 CG GLU B 52 -23.208 11.105 0.171 1.00 0.95 C ATOM 2474 CD GLU B 52 -24.702 10.935 0.014 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -25.406 11.947 -0.186 1.00 1.90 O ATOM 2476 OE2 GLU B 52 -25.179 9.784 0.094 1.00 1.82 O ATOM 0 H GLU B 52 -21.247 12.777 0.305 1.00 0.67 H new ATOM 0 HA GLU B 52 -20.679 10.211 -0.591 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -22.775 12.138 -1.650 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -22.805 10.393 -1.805 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -22.808 10.260 0.731 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -23.009 12.001 0.759 1.00 0.95 H new ATOM 2483 N ALA B 53 -20.181 12.559 -2.831 1.00 0.71 N ATOM 2484 CA ALA B 53 -19.551 12.846 -4.110 1.00 0.76 C ATOM 2485 C ALA B 53 -18.084 12.443 -4.084 1.00 0.66 C ATOM 2486 O ALA B 53 -17.519 12.043 -5.100 1.00 0.68 O ATOM 2487 CB ALA B 53 -19.692 14.320 -4.451 1.00 0.91 C ATOM 0 H ALA B 53 -20.493 13.385 -2.321 1.00 0.71 H new ATOM 0 HA ALA B 53 -20.054 12.263 -4.882 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -19.215 14.519 -5.411 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -20.749 14.580 -4.510 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -19.213 14.920 -3.677 1.00 0.91 H new ATOM 2493 N ALA B 54 -17.477 12.528 -2.907 1.00 0.59 N ATOM 2494 CA ALA B 54 -16.085 12.143 -2.736 1.00 0.58 C ATOM 2495 C ALA B 54 -15.948 10.631 -2.760 1.00 0.48 C ATOM 2496 O ALA B 54 -15.105 10.093 -3.467 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.518 12.713 -1.447 1.00 0.64 C ATOM 0 H ALA B 54 -17.930 12.861 -2.056 1.00 0.59 H new ATOM 0 HA ALA B 54 -15.512 12.556 -3.566 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.476 12.411 -1.343 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -15.579 13.801 -1.472 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -16.091 12.337 -0.600 1.00 0.64 H new ATOM 2503 N PHE B 55 -16.784 9.945 -1.994 1.00 0.46 N ATOM 2504 CA PHE B 55 -16.834 8.486 -2.044 1.00 0.42 C ATOM 2505 C PHE B 55 -17.154 8.010 -3.459 1.00 0.44 C ATOM 2506 O PHE B 55 -16.727 6.938 -3.879 1.00 0.45 O ATOM 2507 CB PHE B 55 -17.883 7.956 -1.072 1.00 0.43 C ATOM 2508 CG PHE B 55 -17.607 8.305 0.361 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -16.513 7.777 1.018 1.00 1.97 C ATOM 2510 CD2 PHE B 55 -18.447 9.162 1.051 1.00 1.87 C ATOM 2511 CE1 PHE B 55 -16.264 8.098 2.336 1.00 2.77 C ATOM 2512 CE2 PHE B 55 -18.202 9.487 2.368 1.00 2.69 C ATOM 2513 CZ PHE B 55 -17.110 8.953 3.013 1.00 2.95 C ATOM 0 H PHE B 55 -17.435 10.370 -1.333 1.00 0.46 H new ATOM 0 HA PHE B 55 -15.856 8.101 -1.755 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -18.859 8.353 -1.352 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -17.940 6.872 -1.168 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -15.847 7.107 0.495 1.00 1.97 H new ATOM 0 HD2 PHE B 55 -19.307 9.582 0.550 1.00 1.87 H new ATOM 0 HE1 PHE B 55 -15.405 7.679 2.839 1.00 2.77 H new ATOM 0 HE2 PHE B 55 -18.865 10.159 2.892 1.00 2.69 H new ATOM 0 HZ PHE B 55 -16.916 9.202 4.046 1.00 2.95 H new ATOM 2523 N GLN B 56 -17.909 8.828 -4.180 1.00 0.48 N ATOM 2524 CA GLN B 56 -18.276 8.555 -5.563 1.00 0.54 C ATOM 2525 C GLN B 56 -17.029 8.461 -6.433 1.00 0.53 C ATOM 2526 O GLN B 56 -16.717 7.391 -6.957 1.00 0.56 O ATOM 2527 CB GLN B 56 -19.201 9.678 -6.054 1.00 0.62 C ATOM 2528 CG GLN B 56 -20.036 9.360 -7.285 1.00 0.76 C ATOM 2529 CD GLN B 56 -19.218 9.173 -8.545 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -18.940 7.927 -8.883 1.00 1.69 O flip ATOM 2531 NE2 GLN B 56 -18.880 10.136 -9.229 1.00 0.87 N flip ATOM 0 H GLN B 56 -18.286 9.705 -3.820 1.00 0.48 H new ATOM 0 HA GLN B 56 -18.798 7.600 -5.628 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -19.875 9.948 -5.241 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -18.592 10.556 -6.269 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -20.611 8.453 -7.098 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -20.753 10.165 -7.444 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -19.116 11.082 -8.930 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -18.363 9.989 -10.096 1.00 0.87 H new ATOM 2540 N LYS B 57 -16.304 9.567 -6.573 1.00 0.51 N ATOM 2541 CA LYS B 57 -15.124 9.567 -7.429 1.00 0.51 C ATOM 2542 C LYS B 57 -14.037 8.666 -6.858 1.00 0.47 C ATOM 2543 O LYS B 57 -13.326 8.005 -7.607 1.00 0.47 O ATOM 2544 CB LYS B 57 -14.580 10.975 -7.688 1.00 0.55 C ATOM 2545 CG LYS B 57 -13.654 11.493 -6.623 1.00 0.76 C ATOM 2546 CD LYS B 57 -14.448 12.114 -5.509 1.00 1.00 C ATOM 2547 CE LYS B 57 -15.002 13.474 -5.901 1.00 0.86 C ATOM 2548 NZ LYS B 57 -13.927 14.469 -6.151 1.00 1.60 N ATOM 0 H LYS B 57 -16.507 10.456 -6.116 1.00 0.51 H new ATOM 0 HA LYS B 57 -15.440 9.168 -8.393 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -14.053 10.977 -8.642 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -15.420 11.663 -7.787 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -13.042 10.679 -6.234 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -12.972 12.229 -7.049 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -15.270 11.452 -5.235 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -13.816 12.219 -4.627 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -15.614 13.370 -6.797 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -15.656 13.840 -5.109 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -14.320 15.429 -6.080 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -13.173 14.350 -5.445 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -13.535 14.325 -7.104 1.00 1.60 H new ATOM 2562 N LEU B 58 -13.927 8.636 -5.531 1.00 0.45 N ATOM 2563 CA LEU B 58 -12.970 7.770 -4.855 1.00 0.43 C ATOM 2564 C LEU B 58 -13.209 6.324 -5.231 1.00 0.42 C ATOM 2565 O LEU B 58 -12.269 5.589 -5.523 1.00 0.41 O ATOM 2566 CB LEU B 58 -13.079 7.922 -3.344 1.00 0.43 C ATOM 2567 CG LEU B 58 -12.017 7.180 -2.549 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -10.634 7.694 -2.907 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -12.280 7.328 -1.067 1.00 0.40 C ATOM 0 H LEU B 58 -14.493 9.206 -4.902 1.00 0.45 H new ATOM 0 HA LEU B 58 -11.969 8.065 -5.171 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -13.025 8.982 -3.095 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -14.061 7.570 -3.028 1.00 0.43 H new ATOM 0 HG LEU B 58 -12.061 6.121 -2.802 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.884 7.153 -2.330 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -10.453 7.541 -3.971 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -10.571 8.758 -2.678 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -11.514 6.793 -0.506 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -12.256 8.384 -0.797 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -13.260 6.914 -0.828 1.00 0.40 H new ATOM 2581 N MET B 59 -14.472 5.924 -5.210 1.00 0.45 N ATOM 2582 CA MET B 59 -14.862 4.613 -5.690 1.00 0.48 C ATOM 2583 C MET B 59 -14.299 4.402 -7.076 1.00 0.48 C ATOM 2584 O MET B 59 -13.498 3.516 -7.292 1.00 0.48 O ATOM 2585 CB MET B 59 -16.389 4.481 -5.708 1.00 0.54 C ATOM 2586 CG MET B 59 -16.904 3.281 -6.492 1.00 0.57 C ATOM 2587 SD MET B 59 -17.131 3.627 -8.247 1.00 1.64 S ATOM 2588 CE MET B 59 -18.370 4.913 -8.176 1.00 2.39 C ATOM 0 H MET B 59 -15.244 6.493 -4.864 1.00 0.45 H new ATOM 0 HA MET B 59 -14.464 3.852 -5.019 1.00 0.48 H new ATOM 0 HB2 MET B 59 -16.748 4.411 -4.681 1.00 0.54 H new ATOM 0 HB3 MET B 59 -16.816 5.389 -6.134 1.00 0.54 H new ATOM 0 HG2 MET B 59 -16.204 2.453 -6.379 1.00 0.57 H new ATOM 0 HG3 MET B 59 -17.853 2.957 -6.066 1.00 0.57 H new ATOM 0 HE1 MET B 59 -19.033 4.827 -9.037 1.00 2.39 H new ATOM 0 HE2 MET B 59 -18.950 4.809 -7.259 1.00 2.39 H new ATOM 0 HE3 MET B 59 -17.883 5.888 -8.189 1.00 2.39 H new ATOM 2598 N SER B 60 -14.681 5.279 -7.985 1.00 0.49 N ATOM 2599 CA SER B 60 -14.252 5.197 -9.378 1.00 0.52 C ATOM 2600 C SER B 60 -12.727 5.153 -9.505 1.00 0.51 C ATOM 2601 O SER B 60 -12.192 4.660 -10.500 1.00 0.55 O ATOM 2602 CB SER B 60 -14.821 6.378 -10.160 1.00 0.55 C ATOM 2603 OG SER B 60 -16.235 6.391 -10.081 1.00 1.34 O ATOM 0 H SER B 60 -15.296 6.068 -7.785 1.00 0.49 H new ATOM 0 HA SER B 60 -14.635 4.266 -9.795 1.00 0.52 H new ATOM 0 HB2 SER B 60 -14.420 7.311 -9.764 1.00 0.55 H new ATOM 0 HB3 SER B 60 -14.510 6.315 -11.203 1.00 0.55 H new ATOM 0 HG SER B 60 -16.584 7.155 -10.586 1.00 1.34 H new ATOM 2609 N ASN B 61 -12.034 5.676 -8.502 1.00 0.48 N ATOM 2610 CA ASN B 61 -10.581 5.648 -8.490 1.00 0.50 C ATOM 2611 C ASN B 61 -10.077 4.239 -8.209 1.00 0.49 C ATOM 2612 O ASN B 61 -9.282 3.679 -8.969 1.00 0.56 O ATOM 2613 CB ASN B 61 -10.005 6.587 -7.415 1.00 0.49 C ATOM 2614 CG ASN B 61 -10.327 8.057 -7.617 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -10.376 8.795 -6.511 1.00 0.79 O flip ATOM 2616 ND2 ASN B 61 -10.509 8.526 -8.740 1.00 0.57 N flip ATOM 0 H ASN B 61 -12.456 6.124 -7.688 1.00 0.48 H new ATOM 0 HA ASN B 61 -10.250 5.981 -9.474 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -10.383 6.277 -6.441 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -8.922 6.467 -7.390 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -10.461 7.920 -9.559 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -10.707 9.520 -8.851 1.00 0.57 H new ATOM 2623 N LEU B 62 -10.555 3.678 -7.111 1.00 0.44 N ATOM 2624 CA LEU B 62 -10.056 2.407 -6.601 1.00 0.43 C ATOM 2625 C LEU B 62 -10.754 1.256 -7.297 1.00 0.48 C ATOM 2626 O LEU B 62 -10.118 0.319 -7.771 1.00 0.55 O ATOM 2627 CB LEU B 62 -10.319 2.329 -5.098 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.283 3.677 -4.373 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -10.615 3.508 -2.900 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -8.934 4.357 -4.563 1.00 0.35 C ATOM 0 H LEU B 62 -11.299 4.088 -6.547 1.00 0.44 H new ATOM 0 HA LEU B 62 -8.985 2.340 -6.793 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.295 1.871 -4.937 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -9.578 1.669 -4.647 1.00 0.38 H new ATOM 0 HG LEU B 62 -11.045 4.322 -4.812 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -10.583 4.479 -2.406 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -11.613 3.082 -2.799 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -9.887 2.841 -2.437 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -8.931 5.313 -4.039 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -8.146 3.721 -4.161 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -8.758 4.525 -5.625 1.00 0.35 H new ATOM 2642 N ASP B 63 -12.073 1.369 -7.342 1.00 0.48 N ATOM 2643 CA ASP B 63 -12.958 0.423 -8.004 1.00 0.53 C ATOM 2644 C ASP B 63 -12.694 0.451 -9.509 1.00 0.57 C ATOM 2645 O ASP B 63 -13.453 1.023 -10.285 1.00 0.62 O ATOM 2646 CB ASP B 63 -14.405 0.826 -7.663 1.00 0.56 C ATOM 2647 CG ASP B 63 -15.494 0.010 -8.334 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -15.647 -1.183 -8.014 1.00 1.34 O ATOM 2649 OD2 ASP B 63 -16.253 0.581 -9.140 1.00 1.24 O ATOM 0 H ASP B 63 -12.572 2.145 -6.906 1.00 0.48 H new ATOM 0 HA ASP B 63 -12.784 -0.598 -7.665 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -14.537 0.755 -6.583 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -14.544 1.873 -7.933 1.00 0.56 H new ATOM 2654 N SER B 64 -11.585 -0.155 -9.904 1.00 0.58 N ATOM 2655 CA SER B 64 -11.150 -0.158 -11.287 1.00 0.64 C ATOM 2656 C SER B 64 -11.967 -1.170 -12.067 1.00 0.65 C ATOM 2657 O SER B 64 -12.076 -1.106 -13.292 1.00 0.75 O ATOM 2658 CB SER B 64 -9.658 -0.494 -11.367 1.00 0.72 C ATOM 2659 OG SER B 64 -9.137 -0.225 -12.657 1.00 1.38 O ATOM 0 H SER B 64 -10.962 -0.658 -9.272 1.00 0.58 H new ATOM 0 HA SER B 64 -11.301 0.831 -11.720 1.00 0.64 H new ATOM 0 HB2 SER B 64 -9.112 0.087 -10.624 1.00 0.72 H new ATOM 0 HB3 SER B 64 -9.507 -1.546 -11.124 1.00 0.72 H new ATOM 0 HG SER B 64 -8.183 -0.448 -12.677 1.00 1.38 H new ATOM 2665 N ASN B 65 -12.545 -2.108 -11.338 1.00 0.63 N ATOM 2666 CA ASN B 65 -13.464 -3.067 -11.915 1.00 0.72 C ATOM 2667 C ASN B 65 -14.783 -2.357 -12.227 1.00 0.69 C ATOM 2668 O ASN B 65 -15.590 -2.838 -13.024 1.00 0.77 O ATOM 2669 CB ASN B 65 -13.684 -4.232 -10.946 1.00 0.79 C ATOM 2670 CG ASN B 65 -14.690 -3.885 -9.883 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -15.865 -4.225 -9.994 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -14.242 -3.205 -8.849 1.00 1.16 N ATOM 0 H ASN B 65 -12.391 -2.224 -10.336 1.00 0.63 H new ATOM 0 HA ASN B 65 -13.050 -3.474 -12.837 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -14.025 -5.107 -11.499 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -12.737 -4.501 -10.478 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -14.879 -2.939 -8.098 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -13.257 -2.944 -8.798 1.00 1.16 H new ATOM 2679 N ARG B 66 -14.959 -1.189 -11.601 1.00 0.60 N ATOM 2680 CA ARG B 66 -16.125 -0.335 -11.781 1.00 0.60 C ATOM 2681 C ARG B 66 -17.437 -1.080 -11.590 1.00 0.60 C ATOM 2682 O ARG B 66 -18.236 -1.224 -12.520 1.00 0.69 O ATOM 2683 CB ARG B 66 -16.094 0.358 -13.130 1.00 0.67 C ATOM 2684 CG ARG B 66 -14.954 1.356 -13.276 1.00 0.70 C ATOM 2685 CD ARG B 66 -15.087 2.532 -12.314 1.00 0.70 C ATOM 2686 NE ARG B 66 -14.237 3.646 -12.723 1.00 0.78 N ATOM 2687 CZ ARG B 66 -14.692 4.800 -13.203 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -15.998 5.014 -13.315 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -13.838 5.745 -13.570 1.00 1.15 N ATOM 0 H ARG B 66 -14.279 -0.808 -10.943 1.00 0.60 H new ATOM 0 HA ARG B 66 -16.074 0.422 -10.999 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -16.010 -0.395 -13.914 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -17.041 0.875 -13.285 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -14.006 0.849 -13.098 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -14.929 1.728 -14.300 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -16.126 2.859 -12.276 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -14.816 2.214 -11.307 1.00 0.70 H new ATOM 0 HE ARG B 66 -13.227 3.532 -12.635 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -16.659 4.291 -13.032 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -16.340 5.901 -13.684 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -12.834 5.586 -13.484 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -14.185 6.631 -13.938 1.00 1.15 H new ATOM 2703 N ASP B 67 -17.644 -1.561 -10.381 1.00 0.58 N ATOM 2704 CA ASP B 67 -18.921 -2.139 -9.994 1.00 0.61 C ATOM 2705 C ASP B 67 -19.372 -1.497 -8.688 1.00 0.56 C ATOM 2706 O ASP B 67 -20.321 -1.944 -8.044 1.00 0.57 O ATOM 2707 CB ASP B 67 -18.819 -3.661 -9.855 1.00 0.69 C ATOM 2708 CG ASP B 67 -20.175 -4.346 -9.815 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -20.905 -4.295 -10.829 1.00 1.63 O ATOM 2710 OD2 ASP B 67 -20.513 -4.949 -8.776 1.00 1.72 O ATOM 0 H ASP B 67 -16.940 -1.564 -9.643 1.00 0.58 H new ATOM 0 HA ASP B 67 -19.660 -1.940 -10.770 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -18.242 -4.059 -10.690 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -18.270 -3.901 -8.945 1.00 0.69 H new ATOM 2715 N ASN B 68 -18.650 -0.437 -8.309 1.00 0.53 N ATOM 2716 CA ASN B 68 -18.983 0.384 -7.144 1.00 0.51 C ATOM 2717 C ASN B 68 -18.694 -0.346 -5.845 1.00 0.46 C ATOM 2718 O ASN B 68 -19.268 -0.025 -4.801 1.00 0.47 O ATOM 2719 CB ASN B 68 -20.444 0.839 -7.186 1.00 0.58 C ATOM 2720 CG ASN B 68 -20.678 2.006 -8.127 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -19.736 2.256 -9.024 1.00 1.08 O flip ATOM 2722 ND2 ASN B 68 -21.673 2.719 -8.006 1.00 0.66 N flip ATOM 0 H ASN B 68 -17.815 -0.125 -8.805 1.00 0.53 H new ATOM 0 HA ASN B 68 -18.346 1.268 -7.182 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -21.070 0.001 -7.493 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -20.759 1.121 -6.182 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -22.378 2.496 -7.304 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -21.793 3.534 -8.608 1.00 0.66 H new ATOM 2729 N GLU B 69 -17.805 -1.326 -5.912 1.00 0.46 N ATOM 2730 CA GLU B 69 -17.365 -2.038 -4.726 1.00 0.42 C ATOM 2731 C GLU B 69 -15.861 -2.280 -4.802 1.00 0.40 C ATOM 2732 O GLU B 69 -15.376 -3.014 -5.667 1.00 0.44 O ATOM 2733 CB GLU B 69 -18.094 -3.374 -4.569 1.00 0.46 C ATOM 2734 CG GLU B 69 -19.600 -3.302 -4.759 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.284 -4.629 -4.498 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -20.089 -5.569 -5.295 1.00 1.29 O ATOM 2737 OE2 GLU B 69 -21.033 -4.735 -3.502 1.00 1.31 O ATOM 0 H GLU B 69 -17.374 -1.646 -6.779 1.00 0.46 H new ATOM 0 HA GLU B 69 -17.600 -1.423 -3.857 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -17.684 -4.083 -5.289 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -17.885 -3.772 -3.576 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -20.011 -2.547 -4.089 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -19.819 -2.978 -5.776 1.00 0.50 H new ATOM 2744 N VAL B 70 -15.141 -1.677 -3.876 1.00 0.37 N ATOM 2745 CA VAL B 70 -13.676 -1.728 -3.868 1.00 0.36 C ATOM 2746 C VAL B 70 -13.153 -3.026 -3.252 1.00 0.35 C ATOM 2747 O VAL B 70 -13.474 -3.347 -2.116 1.00 0.36 O ATOM 2748 CB VAL B 70 -13.091 -0.530 -3.093 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -11.595 -0.690 -2.893 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -13.386 0.764 -3.823 1.00 0.36 C ATOM 0 H VAL B 70 -15.544 -1.139 -3.109 1.00 0.37 H new ATOM 0 HA VAL B 70 -13.355 -1.685 -4.909 1.00 0.36 H new ATOM 0 HB VAL B 70 -13.565 -0.498 -2.112 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.207 0.168 -2.344 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.399 -1.601 -2.328 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -11.103 -0.752 -3.864 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -12.967 1.601 -3.264 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -12.939 0.731 -4.817 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -14.465 0.892 -3.914 1.00 0.36 H new ATOM 2760 N ASP B 71 -12.337 -3.756 -3.997 1.00 0.37 N ATOM 2761 CA ASP B 71 -11.793 -5.030 -3.517 1.00 0.39 C ATOM 2762 C ASP B 71 -10.576 -4.817 -2.618 1.00 0.37 C ATOM 2763 O ASP B 71 -10.046 -3.714 -2.550 1.00 0.35 O ATOM 2764 CB ASP B 71 -11.417 -5.946 -4.695 1.00 0.45 C ATOM 2765 CG ASP B 71 -9.915 -6.130 -4.864 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -9.338 -7.037 -4.219 1.00 1.35 O ATOM 2767 OD2 ASP B 71 -9.300 -5.367 -5.623 1.00 1.42 O ATOM 0 H ASP B 71 -12.034 -3.494 -4.935 1.00 0.37 H new ATOM 0 HA ASP B 71 -12.574 -5.512 -2.929 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -11.881 -6.922 -4.549 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -11.830 -5.531 -5.614 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.162 -5.883 -1.921 1.00 0.41 N ATOM 2773 CA PHE B 72 -8.941 -5.882 -1.103 1.00 0.44 C ATOM 2774 C PHE B 72 -7.793 -5.152 -1.801 1.00 0.40 C ATOM 2775 O PHE B 72 -7.154 -4.271 -1.231 1.00 0.42 O ATOM 2776 CB PHE B 72 -8.477 -7.318 -0.846 1.00 0.54 C ATOM 2777 CG PHE B 72 -9.180 -8.069 0.249 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -8.703 -8.016 1.548 1.00 1.70 C ATOM 2779 CD2 PHE B 72 -10.284 -8.859 -0.022 1.00 1.69 C ATOM 2780 CE1 PHE B 72 -9.319 -8.728 2.558 1.00 2.17 C ATOM 2781 CE2 PHE B 72 -10.900 -9.579 0.985 1.00 2.18 C ATOM 2782 CZ PHE B 72 -10.418 -9.512 2.275 1.00 2.15 C ATOM 0 H PHE B 72 -10.664 -6.771 -1.908 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.187 -5.373 -0.171 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -8.589 -7.882 -1.772 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -7.412 -7.295 -0.613 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -7.838 -7.410 1.774 1.00 1.70 H new ATOM 0 HD2 PHE B 72 -10.668 -8.913 -1.030 1.00 1.69 H new ATOM 0 HE1 PHE B 72 -8.941 -8.671 3.568 1.00 2.17 H new ATOM 0 HE2 PHE B 72 -11.759 -10.194 0.761 1.00 2.18 H new ATOM 0 HZ PHE B 72 -10.900 -10.072 3.062 1.00 2.15 H new ATOM 2792 N GLN B 73 -7.548 -5.541 -3.041 1.00 0.38 N ATOM 2793 CA GLN B 73 -6.431 -5.031 -3.820 1.00 0.37 C ATOM 2794 C GLN B 73 -6.666 -3.594 -4.268 1.00 0.36 C ATOM 2795 O GLN B 73 -5.778 -2.758 -4.136 1.00 0.36 O ATOM 2796 CB GLN B 73 -6.183 -5.934 -5.026 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.075 -5.451 -5.943 1.00 0.50 C ATOM 2798 CD GLN B 73 -5.606 -4.871 -7.244 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -5.900 -3.580 -7.248 1.00 0.62 O flip ATOM 2800 NE2 GLN B 73 -5.759 -5.583 -8.236 1.00 0.41 N flip ATOM 0 H GLN B 73 -8.121 -6.223 -3.538 1.00 0.38 H new ATOM 0 HA GLN B 73 -5.547 -5.032 -3.182 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -5.937 -6.935 -4.672 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.106 -6.017 -5.601 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -4.484 -4.695 -5.426 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -4.405 -6.281 -6.166 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -5.521 -6.574 -8.194 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.124 -5.182 -9.100 1.00 0.41 H new ATOM 2809 N GLU B 74 -7.842 -3.312 -4.821 1.00 0.37 N ATOM 2810 CA GLU B 74 -8.210 -1.950 -5.201 1.00 0.39 C ATOM 2811 C GLU B 74 -8.083 -1.031 -3.989 1.00 0.38 C ATOM 2812 O GLU B 74 -7.706 0.136 -4.097 1.00 0.41 O ATOM 2813 CB GLU B 74 -9.644 -1.929 -5.750 1.00 0.44 C ATOM 2814 CG GLU B 74 -9.828 -2.776 -7.004 1.00 0.59 C ATOM 2815 CD GLU B 74 -11.278 -2.890 -7.447 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -12.121 -3.322 -6.634 1.00 2.04 O ATOM 2817 OE2 GLU B 74 -11.577 -2.572 -8.623 1.00 2.18 O ATOM 0 H GLU B 74 -8.559 -4.010 -5.017 1.00 0.37 H new ATOM 0 HA GLU B 74 -7.538 -1.595 -5.983 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -10.325 -2.285 -4.977 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -9.924 -0.899 -5.972 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -9.241 -2.344 -7.815 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -9.432 -3.775 -6.820 1.00 0.59 H new ATOM 2824 N TYR B 75 -8.369 -1.606 -2.835 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.257 -0.936 -1.556 1.00 0.36 C ATOM 2826 C TYR B 75 -6.786 -0.762 -1.153 1.00 0.34 C ATOM 2827 O TYR B 75 -6.386 0.283 -0.643 1.00 0.34 O ATOM 2828 CB TYR B 75 -9.012 -1.769 -0.518 1.00 0.43 C ATOM 2829 CG TYR B 75 -8.673 -1.432 0.913 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -9.106 -0.246 1.491 1.00 1.50 C ATOM 2831 CD2 TYR B 75 -7.916 -2.302 1.684 1.00 1.72 C ATOM 2832 CE1 TYR B 75 -8.794 0.060 2.799 1.00 1.86 C ATOM 2833 CE2 TYR B 75 -7.602 -2.003 2.991 1.00 2.09 C ATOM 2834 CZ TYR B 75 -8.044 -0.821 3.545 1.00 1.84 C ATOM 2835 OH TYR B 75 -7.721 -0.521 4.844 1.00 2.33 O ATOM 0 H TYR B 75 -8.692 -2.571 -2.761 1.00 0.34 H new ATOM 0 HA TYR B 75 -8.690 0.062 -1.620 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -10.083 -1.631 -0.668 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -8.799 -2.824 -0.691 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -9.695 0.446 0.908 1.00 1.50 H new ATOM 0 HD2 TYR B 75 -7.567 -3.229 1.252 1.00 1.72 H new ATOM 0 HE1 TYR B 75 -9.136 0.986 3.236 1.00 1.86 H new ATOM 0 HE2 TYR B 75 -7.013 -2.691 3.579 1.00 2.09 H new ATOM 0 HH TYR B 75 -7.905 -1.296 5.414 1.00 2.33 H new ATOM 2845 N SER B 76 -5.987 -1.795 -1.387 1.00 0.35 N ATOM 2846 CA SER B 76 -4.563 -1.764 -1.069 1.00 0.36 C ATOM 2847 C SER B 76 -3.829 -0.774 -1.971 1.00 0.36 C ATOM 2848 O SER B 76 -2.889 -0.100 -1.542 1.00 0.41 O ATOM 2849 CB SER B 76 -3.961 -3.167 -1.211 1.00 0.41 C ATOM 2850 OG SER B 76 -2.569 -3.160 -0.953 1.00 1.21 O ATOM 0 H SER B 76 -6.303 -2.673 -1.800 1.00 0.35 H new ATOM 0 HA SER B 76 -4.446 -1.434 -0.037 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.457 -3.849 -0.521 1.00 0.41 H new ATOM 0 HB3 SER B 76 -4.144 -3.543 -2.218 1.00 0.41 H new ATOM 0 HG SER B 76 -2.146 -3.911 -1.420 1.00 1.21 H new ATOM 2856 N VAL B 77 -4.282 -0.675 -3.215 1.00 0.35 N ATOM 2857 CA VAL B 77 -3.725 0.275 -4.164 1.00 0.36 C ATOM 2858 C VAL B 77 -4.061 1.668 -3.694 1.00 0.33 C ATOM 2859 O VAL B 77 -3.273 2.597 -3.818 1.00 0.32 O ATOM 2860 CB VAL B 77 -4.292 0.080 -5.591 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -3.824 1.194 -6.517 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -3.893 -1.273 -6.152 1.00 0.43 C ATOM 0 H VAL B 77 -5.039 -1.246 -3.590 1.00 0.35 H new ATOM 0 HA VAL B 77 -2.648 0.115 -4.211 1.00 0.36 H new ATOM 0 HB VAL B 77 -5.379 0.119 -5.526 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -4.235 1.035 -7.514 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -4.166 2.155 -6.132 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -2.735 1.191 -6.569 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -4.303 -1.386 -7.155 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -2.806 -1.343 -6.194 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -4.283 -2.063 -5.509 1.00 0.43 H new ATOM 2872 N PHE B 78 -5.242 1.779 -3.127 1.00 0.32 N ATOM 2873 CA PHE B 78 -5.711 3.026 -2.568 1.00 0.29 C ATOM 2874 C PHE B 78 -4.786 3.498 -1.457 1.00 0.27 C ATOM 2875 O PHE B 78 -4.223 4.593 -1.524 1.00 0.28 O ATOM 2876 CB PHE B 78 -7.121 2.846 -2.020 1.00 0.27 C ATOM 2877 CG PHE B 78 -7.610 4.032 -1.247 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.484 5.312 -1.760 1.00 1.23 C ATOM 2879 CD2 PHE B 78 -8.187 3.864 -0.004 1.00 1.18 C ATOM 2880 CE1 PHE B 78 -7.923 6.402 -1.045 1.00 1.24 C ATOM 2881 CE2 PHE B 78 -8.630 4.950 0.715 1.00 1.19 C ATOM 2882 CZ PHE B 78 -8.497 6.222 0.194 1.00 0.37 C ATOM 0 H PHE B 78 -5.903 1.007 -3.041 1.00 0.32 H new ATOM 0 HA PHE B 78 -5.719 3.778 -3.357 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -7.804 2.653 -2.848 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -7.144 1.966 -1.377 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -7.036 5.456 -2.732 1.00 1.23 H new ATOM 0 HD2 PHE B 78 -8.292 2.871 0.408 1.00 1.18 H new ATOM 0 HE1 PHE B 78 -7.818 7.396 -1.454 1.00 1.24 H new ATOM 0 HE2 PHE B 78 -9.081 4.808 1.686 1.00 1.19 H new ATOM 0 HZ PHE B 78 -8.843 7.076 0.758 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.628 2.655 -0.445 1.00 0.27 N ATOM 2893 CA LEU B 79 -3.825 2.995 0.723 1.00 0.27 C ATOM 2894 C LEU B 79 -2.398 3.350 0.331 1.00 0.31 C ATOM 2895 O LEU B 79 -1.820 4.307 0.849 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.817 1.838 1.717 1.00 0.29 C ATOM 2897 CG LEU B 79 -5.191 1.401 2.218 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -5.037 0.430 3.363 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -6.024 2.594 2.650 1.00 0.30 C ATOM 0 H LEU B 79 -5.048 1.726 -0.409 1.00 0.27 H new ATOM 0 HA LEU B 79 -4.277 3.869 1.192 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.329 0.982 1.250 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -3.209 2.122 2.576 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.712 0.908 1.397 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -6.022 0.123 3.715 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.483 -0.446 3.025 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.495 0.911 4.177 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -6.997 2.250 3.002 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.513 3.122 3.455 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -6.161 3.267 1.804 1.00 0.30 H new ATOM 2911 N SER B 80 -1.838 2.593 -0.597 1.00 0.36 N ATOM 2912 CA SER B 80 -0.493 2.861 -1.059 1.00 0.47 C ATOM 2913 C SER B 80 -0.441 4.145 -1.862 1.00 0.37 C ATOM 2914 O SER B 80 0.477 4.929 -1.689 1.00 0.38 O ATOM 2915 CB SER B 80 0.037 1.703 -1.884 1.00 0.66 C ATOM 2916 OG SER B 80 -0.926 1.264 -2.827 1.00 0.84 O ATOM 0 H SER B 80 -2.292 1.795 -1.041 1.00 0.36 H new ATOM 0 HA SER B 80 0.142 2.979 -0.181 1.00 0.47 H new ATOM 0 HB2 SER B 80 0.946 2.008 -2.403 1.00 0.66 H new ATOM 0 HB3 SER B 80 0.308 0.878 -1.226 1.00 0.66 H new ATOM 0 HG SER B 80 -1.555 0.652 -2.391 1.00 0.84 H new ATOM 2922 N SER B 81 -1.429 4.365 -2.728 1.00 0.33 N ATOM 2923 CA SER B 81 -1.490 5.589 -3.523 1.00 0.30 C ATOM 2924 C SER B 81 -1.532 6.812 -2.620 1.00 0.24 C ATOM 2925 O SER B 81 -1.051 7.880 -2.992 1.00 0.26 O ATOM 2926 CB SER B 81 -2.698 5.576 -4.460 1.00 0.37 C ATOM 2927 OG SER B 81 -2.591 4.528 -5.409 1.00 1.22 O ATOM 0 H SER B 81 -2.196 3.714 -2.896 1.00 0.33 H new ATOM 0 HA SER B 81 -0.588 5.638 -4.133 1.00 0.30 H new ATOM 0 HB2 SER B 81 -3.612 5.454 -3.879 1.00 0.37 H new ATOM 0 HB3 SER B 81 -2.773 6.533 -4.976 1.00 0.37 H new ATOM 0 HG SER B 81 -3.169 3.783 -5.141 1.00 1.22 H new ATOM 2933 N ILE B 82 -2.104 6.645 -1.432 1.00 0.23 N ATOM 2934 CA ILE B 82 -2.048 7.678 -0.409 1.00 0.23 C ATOM 2935 C ILE B 82 -0.601 7.947 -0.034 1.00 0.27 C ATOM 2936 O ILE B 82 -0.109 9.065 -0.150 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.790 7.260 0.875 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.267 6.966 0.590 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.635 8.343 1.935 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.052 6.527 1.813 1.00 0.23 C ATOM 0 H ILE B 82 -2.611 5.804 -1.156 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.525 8.565 -0.825 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.347 6.338 1.252 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.732 7.860 0.173 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.333 6.188 -0.171 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.161 8.043 2.841 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.578 8.484 2.159 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -3.055 9.278 1.564 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.088 6.338 1.532 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.614 5.615 2.219 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.019 7.313 2.568 1.00 0.23 H new ATOM 2952 N ALA B 83 0.074 6.897 0.405 1.00 0.30 N ATOM 2953 CA ALA B 83 1.459 6.994 0.824 1.00 0.36 C ATOM 2954 C ALA B 83 2.341 7.510 -0.317 1.00 0.37 C ATOM 2955 O ALA B 83 3.297 8.241 -0.084 1.00 0.42 O ATOM 2956 CB ALA B 83 1.932 5.641 1.334 1.00 0.40 C ATOM 0 H ALA B 83 -0.321 5.960 0.480 1.00 0.30 H new ATOM 0 HA ALA B 83 1.538 7.715 1.637 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.973 5.714 1.649 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.317 5.336 2.181 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.845 4.901 0.538 1.00 0.40 H new ATOM 2962 N MET B 84 1.991 7.144 -1.551 1.00 0.37 N ATOM 2963 CA MET B 84 2.680 7.646 -2.740 1.00 0.43 C ATOM 2964 C MET B 84 2.446 9.136 -2.875 1.00 0.34 C ATOM 2965 O MET B 84 3.387 9.920 -2.869 1.00 0.37 O ATOM 2966 CB MET B 84 2.181 6.959 -4.017 1.00 0.64 C ATOM 2967 CG MET B 84 2.190 5.440 -3.978 1.00 0.44 C ATOM 2968 SD MET B 84 1.501 4.728 -5.486 1.00 1.00 S ATOM 2969 CE MET B 84 1.220 3.037 -4.973 1.00 1.26 C ATOM 0 H MET B 84 1.229 6.497 -1.753 1.00 0.37 H new ATOM 0 HA MET B 84 3.742 7.431 -2.618 1.00 0.43 H new ATOM 0 HB2 MET B 84 1.164 7.296 -4.218 1.00 0.64 H new ATOM 0 HB3 MET B 84 2.797 7.289 -4.853 1.00 0.64 H new ATOM 0 HG2 MET B 84 3.212 5.086 -3.843 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.616 5.095 -3.118 1.00 0.44 H new ATOM 0 HE1 MET B 84 1.052 2.413 -5.851 1.00 1.26 H new ATOM 0 HE2 MET B 84 2.092 2.672 -4.430 1.00 1.26 H new ATOM 0 HE3 MET B 84 0.345 2.994 -4.325 1.00 1.26 H new ATOM 2979 N MET B 85 1.181 9.524 -2.967 1.00 0.33 N ATOM 2980 CA MET B 85 0.824 10.918 -3.186 1.00 0.35 C ATOM 2981 C MET B 85 1.405 11.796 -2.086 1.00 0.35 C ATOM 2982 O MET B 85 1.845 12.913 -2.344 1.00 0.42 O ATOM 2983 CB MET B 85 -0.702 11.082 -3.287 1.00 0.39 C ATOM 2984 CG MET B 85 -1.428 10.938 -1.969 1.00 1.36 C ATOM 2985 SD MET B 85 -1.641 12.502 -1.091 1.00 2.66 S ATOM 2986 CE MET B 85 -2.639 13.423 -2.262 1.00 3.35 C ATOM 0 H MET B 85 0.384 8.891 -2.893 1.00 0.33 H new ATOM 0 HA MET B 85 1.253 11.241 -4.135 1.00 0.35 H new ATOM 0 HB2 MET B 85 -0.924 12.063 -3.706 1.00 0.39 H new ATOM 0 HB3 MET B 85 -1.091 10.341 -3.986 1.00 0.39 H new ATOM 0 HG2 MET B 85 -2.407 10.495 -2.149 1.00 1.36 H new ATOM 0 HG3 MET B 85 -0.877 10.245 -1.333 1.00 1.36 H new ATOM 0 HE1 MET B 85 -3.278 14.123 -1.724 1.00 3.35 H new ATOM 0 HE2 MET B 85 -1.988 13.974 -2.941 1.00 3.35 H new ATOM 0 HE3 MET B 85 -3.259 12.733 -2.834 1.00 3.35 H new ATOM 2996 N SER B 86 1.442 11.268 -0.867 1.00 0.33 N ATOM 2997 CA SER B 86 2.003 11.992 0.257 1.00 0.39 C ATOM 2998 C SER B 86 3.532 12.029 0.191 1.00 0.43 C ATOM 2999 O SER B 86 4.149 12.948 0.716 1.00 0.57 O ATOM 3000 CB SER B 86 1.538 11.357 1.571 1.00 0.43 C ATOM 3001 OG SER B 86 0.120 11.333 1.650 1.00 1.25 O ATOM 0 H SER B 86 1.088 10.339 -0.637 1.00 0.33 H new ATOM 0 HA SER B 86 1.646 13.021 0.211 1.00 0.39 H new ATOM 0 HB2 SER B 86 1.927 10.342 1.646 1.00 0.43 H new ATOM 0 HB3 SER B 86 1.943 11.917 2.413 1.00 0.43 H new ATOM 0 HG SER B 86 -0.227 10.617 1.078 1.00 1.25 H new ATOM 3007 N ASN B 87 4.145 11.042 -0.466 1.00 0.40 N ATOM 3008 CA ASN B 87 5.603 10.967 -0.520 1.00 0.51 C ATOM 3009 C ASN B 87 6.175 11.827 -1.650 1.00 0.44 C ATOM 3010 O ASN B 87 7.254 12.417 -1.520 1.00 0.53 O ATOM 3011 CB ASN B 87 6.091 9.499 -0.592 1.00 0.69 C ATOM 3012 CG ASN B 87 5.958 8.777 -1.940 1.00 1.43 C ATOM 3013 OD1 ASN B 87 6.349 9.406 -3.034 1.00 2.36 O flip ATOM 3014 ND2 ASN B 87 5.559 7.618 -1.978 1.00 1.49 N flip ATOM 0 H ASN B 87 3.660 10.294 -0.961 1.00 0.40 H new ATOM 0 HA ASN B 87 5.988 11.384 0.411 1.00 0.51 H new ATOM 0 HB2 ASN B 87 7.141 9.478 -0.301 1.00 0.69 H new ATOM 0 HB3 ASN B 87 5.542 8.924 0.154 1.00 0.69 H new ATOM 0 HD21 ASN B 87 5.262 7.152 -1.120 1.00 1.49 H new ATOM 0 HD22 ASN B 87 5.524 7.120 -2.867 1.00 1.49 H new ATOM 3021 N GLU B 88 5.477 11.878 -2.774 1.00 0.37 N ATOM 3022 CA GLU B 88 5.878 12.761 -3.859 1.00 0.42 C ATOM 3023 C GLU B 88 5.692 14.198 -3.407 1.00 0.51 C ATOM 3024 O GLU B 88 6.563 15.043 -3.581 1.00 0.66 O ATOM 3025 CB GLU B 88 5.056 12.495 -5.118 1.00 0.48 C ATOM 3026 CG GLU B 88 4.537 11.072 -5.235 1.00 0.51 C ATOM 3027 CD GLU B 88 4.257 10.677 -6.665 1.00 0.91 C ATOM 3028 OE1 GLU B 88 5.188 10.193 -7.336 1.00 1.49 O ATOM 3029 OE2 GLU B 88 3.110 10.858 -7.124 1.00 1.74 O ATOM 0 H GLU B 88 4.640 11.326 -2.958 1.00 0.37 H new ATOM 0 HA GLU B 88 6.924 12.576 -4.103 1.00 0.42 H new ATOM 0 HB2 GLU B 88 4.209 13.181 -5.137 1.00 0.48 H new ATOM 0 HB3 GLU B 88 5.668 12.719 -5.992 1.00 0.48 H new ATOM 0 HG2 GLU B 88 5.268 10.385 -4.808 1.00 0.51 H new ATOM 0 HG3 GLU B 88 3.624 10.972 -4.648 1.00 0.51 H new ATOM 3036 N PHE B 89 4.543 14.441 -2.801 1.00 0.50 N ATOM 3037 CA PHE B 89 4.243 15.716 -2.156 1.00 0.63 C ATOM 3038 C PHE B 89 5.185 15.967 -0.979 1.00 0.66 C ATOM 3039 O PHE B 89 5.388 17.109 -0.569 1.00 0.79 O ATOM 3040 CB PHE B 89 2.786 15.714 -1.681 1.00 0.73 C ATOM 3041 CG PHE B 89 2.345 16.982 -1.004 1.00 1.18 C ATOM 3042 CD1 PHE B 89 2.043 18.112 -1.747 1.00 2.16 C ATOM 3043 CD2 PHE B 89 2.221 17.039 0.376 1.00 1.70 C ATOM 3044 CE1 PHE B 89 1.630 19.276 -1.126 1.00 2.79 C ATOM 3045 CE2 PHE B 89 1.810 18.201 1.001 1.00 2.37 C ATOM 3046 CZ PHE B 89 1.514 19.320 0.249 1.00 2.70 C ATOM 0 H PHE B 89 3.786 13.760 -2.740 1.00 0.50 H new ATOM 0 HA PHE B 89 4.389 16.519 -2.878 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.139 15.532 -2.539 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.644 14.882 -0.992 1.00 0.73 H new ATOM 0 HD1 PHE B 89 2.131 18.083 -2.823 1.00 2.16 H new ATOM 0 HD2 PHE B 89 2.448 16.165 0.969 1.00 1.70 H new ATOM 0 HE1 PHE B 89 1.398 20.150 -1.716 1.00 2.79 H new ATOM 0 HE2 PHE B 89 1.720 18.234 2.077 1.00 2.37 H new ATOM 0 HZ PHE B 89 1.192 20.229 0.736 1.00 2.70 H new ATOM 3056 N PHE B 90 5.767 14.898 -0.448 1.00 0.60 N ATOM 3057 CA PHE B 90 6.733 15.015 0.636 1.00 0.68 C ATOM 3058 C PHE B 90 7.957 15.768 0.138 1.00 0.68 C ATOM 3059 O PHE B 90 8.574 16.538 0.874 1.00 0.79 O ATOM 3060 CB PHE B 90 7.117 13.627 1.154 1.00 0.70 C ATOM 3061 CG PHE B 90 8.082 13.626 2.304 1.00 0.85 C ATOM 3062 CD1 PHE B 90 7.654 13.932 3.586 1.00 1.46 C ATOM 3063 CD2 PHE B 90 9.415 13.305 2.105 1.00 1.53 C ATOM 3064 CE1 PHE B 90 8.538 13.920 4.646 1.00 1.59 C ATOM 3065 CE2 PHE B 90 10.303 13.289 3.163 1.00 1.64 C ATOM 3066 CZ PHE B 90 9.864 13.598 4.435 1.00 1.21 C ATOM 0 H PHE B 90 5.586 13.941 -0.751 1.00 0.60 H new ATOM 0 HA PHE B 90 6.290 15.570 1.463 1.00 0.68 H new ATOM 0 HB2 PHE B 90 6.210 13.105 1.459 1.00 0.70 H new ATOM 0 HB3 PHE B 90 7.552 13.056 0.333 1.00 0.70 H new ATOM 0 HD1 PHE B 90 6.618 14.183 3.758 1.00 1.46 H new ATOM 0 HD2 PHE B 90 9.764 13.065 1.112 1.00 1.53 H new ATOM 0 HE1 PHE B 90 8.193 14.162 5.640 1.00 1.59 H new ATOM 0 HE2 PHE B 90 11.339 13.035 2.995 1.00 1.64 H new ATOM 0 HZ PHE B 90 10.557 13.588 5.264 1.00 1.21 H new ATOM 3076 N GLU B 91 8.302 15.540 -1.122 1.00 0.61 N ATOM 3077 CA GLU B 91 9.345 16.322 -1.770 1.00 0.72 C ATOM 3078 C GLU B 91 8.764 17.616 -2.326 1.00 0.77 C ATOM 3079 O GLU B 91 9.417 18.660 -2.330 1.00 0.95 O ATOM 3080 CB GLU B 91 9.988 15.543 -2.914 1.00 0.82 C ATOM 3081 CG GLU B 91 10.377 14.123 -2.561 1.00 0.92 C ATOM 3082 CD GLU B 91 11.076 13.421 -3.703 1.00 1.57 C ATOM 3083 OE1 GLU B 91 10.392 13.028 -4.668 1.00 2.22 O ATOM 3084 OE2 GLU B 91 12.306 13.244 -3.629 1.00 2.25 O ATOM 0 H GLU B 91 7.878 14.825 -1.712 1.00 0.61 H new ATOM 0 HA GLU B 91 10.103 16.544 -1.019 1.00 0.72 H new ATOM 0 HB2 GLU B 91 9.296 15.519 -3.756 1.00 0.82 H new ATOM 0 HB3 GLU B 91 10.877 16.078 -3.248 1.00 0.82 H new ATOM 0 HG2 GLU B 91 11.031 14.133 -1.689 1.00 0.92 H new ATOM 0 HG3 GLU B 91 9.485 13.562 -2.284 1.00 0.92 H new ATOM 3091 N GLY B 92 7.532 17.525 -2.793 1.00 0.71 N ATOM 3092 CA GLY B 92 6.897 18.628 -3.481 1.00 0.82 C ATOM 3093 C GLY B 92 6.790 18.324 -4.956 1.00 0.81 C ATOM 3094 O GLY B 92 5.852 18.747 -5.635 1.00 0.91 O ATOM 0 H GLY B 92 6.950 16.692 -2.706 1.00 0.71 H new ATOM 0 HA2 GLY B 92 5.905 18.804 -3.065 1.00 0.82 H new ATOM 0 HA3 GLY B 92 7.473 19.541 -3.330 1.00 0.82 H new ATOM 3098 N PHE B 93 7.764 17.569 -5.432 1.00 0.76 N ATOM 3099 CA PHE B 93 7.815 17.095 -6.800 1.00 0.78 C ATOM 3100 C PHE B 93 8.263 15.643 -6.768 1.00 0.69 C ATOM 3101 O PHE B 93 8.911 15.228 -5.813 1.00 0.82 O ATOM 3102 CB PHE B 93 8.797 17.938 -7.624 1.00 1.00 C ATOM 3103 CG PHE B 93 8.408 19.383 -7.733 1.00 1.67 C ATOM 3104 CD1 PHE B 93 7.434 19.785 -8.632 1.00 2.58 C ATOM 3105 CD2 PHE B 93 9.016 20.340 -6.936 1.00 2.41 C ATOM 3106 CE1 PHE B 93 7.071 21.114 -8.732 1.00 3.59 C ATOM 3107 CE2 PHE B 93 8.657 21.671 -7.032 1.00 3.46 C ATOM 3108 CZ PHE B 93 7.683 22.058 -7.931 1.00 3.90 C ATOM 0 H PHE B 93 8.556 17.263 -4.866 1.00 0.76 H new ATOM 0 HA PHE B 93 6.834 17.181 -7.267 1.00 0.78 H new ATOM 0 HB2 PHE B 93 9.787 17.871 -7.173 1.00 1.00 H new ATOM 0 HB3 PHE B 93 8.873 17.515 -8.626 1.00 1.00 H new ATOM 0 HD1 PHE B 93 6.953 19.051 -9.262 1.00 2.58 H new ATOM 0 HD2 PHE B 93 9.779 20.042 -6.232 1.00 2.41 H new ATOM 0 HE1 PHE B 93 6.309 21.415 -9.436 1.00 3.59 H new ATOM 0 HE2 PHE B 93 9.137 22.407 -6.405 1.00 3.46 H new ATOM 0 HZ PHE B 93 7.400 23.097 -8.008 1.00 3.90 H new ATOM 3118 N PRO B 94 7.923 14.843 -7.783 1.00 0.64 N ATOM 3119 CA PRO B 94 8.292 13.431 -7.820 1.00 0.61 C ATOM 3120 C PRO B 94 9.735 13.256 -8.281 1.00 0.71 C ATOM 3121 O PRO B 94 10.008 12.742 -9.366 1.00 0.90 O ATOM 3122 CB PRO B 94 7.306 12.877 -8.835 1.00 0.65 C ATOM 3123 CG PRO B 94 7.173 13.980 -9.820 1.00 0.84 C ATOM 3124 CD PRO B 94 7.172 15.240 -8.991 1.00 0.83 C ATOM 0 HA PRO B 94 8.246 12.931 -6.852 1.00 0.61 H new ATOM 0 HB2 PRO B 94 7.678 11.965 -9.301 1.00 0.65 H new ATOM 0 HB3 PRO B 94 6.349 12.632 -8.374 1.00 0.65 H new ATOM 0 HG2 PRO B 94 7.998 13.976 -10.532 1.00 0.84 H new ATOM 0 HG3 PRO B 94 6.253 13.886 -10.397 1.00 0.84 H new ATOM 0 HD2 PRO B 94 7.654 16.067 -9.513 1.00 0.83 H new ATOM 0 HD3 PRO B 94 6.160 15.563 -8.749 1.00 0.83 H new ATOM 3132 N ASP B 95 10.650 13.663 -7.421 1.00 0.71 N ATOM 3133 CA ASP B 95 12.050 13.848 -7.789 1.00 0.87 C ATOM 3134 C ASP B 95 12.800 12.528 -7.890 1.00 0.84 C ATOM 3135 O ASP B 95 13.894 12.466 -8.443 1.00 0.96 O ATOM 3136 CB ASP B 95 12.732 14.767 -6.773 1.00 1.12 C ATOM 3137 CG ASP B 95 14.157 15.108 -7.154 1.00 1.70 C ATOM 3138 OD1 ASP B 95 14.348 15.943 -8.063 1.00 2.40 O ATOM 3139 OD2 ASP B 95 15.092 14.544 -6.550 1.00 2.16 O ATOM 0 H ASP B 95 10.447 13.876 -6.444 1.00 0.71 H new ATOM 0 HA ASP B 95 12.074 14.306 -8.778 1.00 0.87 H new ATOM 0 HB2 ASP B 95 12.156 15.687 -6.679 1.00 1.12 H new ATOM 0 HB3 ASP B 95 12.727 14.286 -5.795 1.00 1.12 H new ATOM 3144 N LYS B 96 12.200 11.468 -7.394 1.00 0.81 N ATOM 3145 CA LYS B 96 12.847 10.168 -7.388 1.00 0.86 C ATOM 3146 C LYS B 96 12.066 9.194 -8.247 1.00 0.83 C ATOM 3147 O LYS B 96 12.277 7.981 -8.192 1.00 0.94 O ATOM 3148 CB LYS B 96 12.990 9.659 -5.949 1.00 0.97 C ATOM 3149 CG LYS B 96 11.940 10.210 -4.996 1.00 0.93 C ATOM 3150 CD LYS B 96 10.596 9.523 -5.162 1.00 0.65 C ATOM 3151 CE LYS B 96 9.492 10.278 -4.446 1.00 0.84 C ATOM 3152 NZ LYS B 96 9.850 10.551 -3.031 1.00 1.85 N ATOM 0 H LYS B 96 11.264 11.478 -6.989 1.00 0.81 H new ATOM 0 HA LYS B 96 13.847 10.260 -7.812 1.00 0.86 H new ATOM 0 HB2 LYS B 96 12.930 8.571 -5.951 1.00 0.97 H new ATOM 0 HB3 LYS B 96 13.980 9.923 -5.577 1.00 0.97 H new ATOM 0 HG2 LYS B 96 12.284 10.087 -3.969 1.00 0.93 H new ATOM 0 HG3 LYS B 96 11.823 11.280 -5.167 1.00 0.93 H new ATOM 0 HD2 LYS B 96 10.355 9.444 -6.222 1.00 0.65 H new ATOM 0 HD3 LYS B 96 10.655 8.507 -4.772 1.00 0.65 H new ATOM 0 HE2 LYS B 96 9.299 11.219 -4.962 1.00 0.84 H new ATOM 0 HE3 LYS B 96 8.569 9.699 -4.484 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 9.158 11.209 -2.619 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 9.844 9.661 -2.493 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 10.799 10.975 -2.989 1.00 1.85 H new