USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1230 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 33 ASN :FLIP amide:sc=-4.08e-05 F(o=-2,f=-0.61) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.607 K(o=-0.61,f=-2.8!) USER MOD Single : A 1 ASN : amide:sc= -1.47! C(o=-1.5!,f=-4!) USER MOD Single : A 1 ASN N :NH3+ -165:sc= 0.262 (180deg=0.158) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -5.25! C(o=-5.2!,f=-8!) USER MOD Single : A 9 SER OG : rot 102:sc= 1.35 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= 1.09 (180deg=0.831) USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= 0.615 (180deg=-0.00291) USER MOD Single : A 18 THR OG1 : rot 133:sc= 1.24 USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= 0.984 (180deg=0.851) USER MOD Single : A 22 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 34 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.4) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00221 USER MOD Single : A 38 THR OG1 : rot -62:sc= 0.987 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= -0.324 (180deg=-1.66!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= -1.11 F(o=-2.8!,f=-1.1) USER MOD Single : A 63 HIS : no HE2:sc= -4.01! C(o=-4!,f=-5.2!) USER MOD Single : A 64 THR OG1 : rot -107:sc= 0.152 USER MOD Single : A 70 LYS NZ :NH3+ -144:sc= 0.0812 (180deg=-0.11) USER MOD Single : A 76 THR OG1 : rot -96:sc= 0.998 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -113:sc= -3.09! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -168:sc= -0.0019 (180deg=-0.148) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 3:sc= 0.431 USER MOD Single : A 115 HIS : no HD1:sc= -3.1 K(o=-3.1,f=-9!) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 117 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.57) USER MOD Single : A 121 MET CE :methyl -166:sc= -0.0649 (180deg=-0.376) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0743 USER MOD Single : A 124 LYS NZ :NH3+ -171:sc=-0.00411 (180deg=-0.13) USER MOD Single : A 125 HIS : no HD1:sc= -0.0023 X(o=-0.0023,f=-0.0077) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN :FLIP amide:sc= -0.927 F(o=-1.5!,f=-0.93) USER MOD Single : A 133 MET CE :methyl -118:sc= -3.14 (180deg=-10.9!) USER MOD Single : A 135 LYS NZ :NH3+ 168:sc= -0.0143 (180deg=-0.191) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -0.0935 X(o=-0.094,f=-0.071) USER MOD Single : A 143 SER OG : rot 110:sc= -2.08! USER MOD Single : A 145 GLN : amide:sc= -0.325 K(o=-0.33,f=-1.3) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 154 LYS NZ :NH3+ -140:sc= 2.39 (180deg=-0.205) USER MOD Single : A 155 LYS NZ :NH3+ -105:sc= 1.25 (180deg=0.0358) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 3.792 13.961 -7.104 1.00 1.65 N ATOM 2 CA ASN A 1 4.342 13.440 -5.826 1.00 1.32 C ATOM 3 C ASN A 1 5.856 13.280 -5.930 1.00 1.24 C ATOM 4 O ASN A 1 6.426 13.519 -6.993 1.00 1.61 O ATOM 5 CB ASN A 1 3.695 12.089 -5.473 1.00 1.23 C ATOM 6 CG ASN A 1 4.104 10.961 -6.410 1.00 1.26 C ATOM 7 OD1 ASN A 1 4.401 11.184 -7.584 1.00 1.66 O ATOM 8 ND2 ASN A 1 4.096 9.739 -5.902 1.00 1.42 N ATOM 0 H1 ASN A 1 2.822 14.304 -6.950 1.00 1.65 H new ATOM 0 H2 ASN A 1 4.386 14.744 -7.444 1.00 1.65 H new ATOM 0 H3 ASN A 1 3.782 13.200 -7.813 1.00 1.65 H new ATOM 0 HA ASN A 1 4.114 14.155 -5.035 1.00 1.32 H new ATOM 0 HB2 ASN A 1 3.966 11.820 -4.452 1.00 1.23 H new ATOM 0 HB3 ASN A 1 2.611 12.196 -5.497 1.00 1.23 H new ATOM 0 HD21 ASN A 1 4.342 8.941 -6.488 1.00 1.42 H new ATOM 0 HD22 ASN A 1 3.844 9.595 -4.924 1.00 1.42 H new ATOM 17 N TYR A 2 6.499 12.931 -4.805 1.00 1.16 N ATOM 18 CA TYR A 2 7.927 12.578 -4.777 1.00 1.12 C ATOM 19 C TYR A 2 8.807 13.823 -4.766 1.00 1.22 C ATOM 20 O TYR A 2 9.691 13.943 -3.923 1.00 1.20 O ATOM 21 CB TYR A 2 8.289 11.640 -5.947 1.00 1.31 C ATOM 22 CG TYR A 2 9.696 11.815 -6.484 1.00 1.67 C ATOM 23 CD1 TYR A 2 10.797 11.327 -5.794 1.00 2.21 C ATOM 24 CD2 TYR A 2 9.917 12.474 -7.687 1.00 1.84 C ATOM 25 CE1 TYR A 2 12.077 11.494 -6.288 1.00 2.90 C ATOM 26 CE2 TYR A 2 11.193 12.642 -8.187 1.00 2.43 C ATOM 27 CZ TYR A 2 12.269 12.149 -7.484 1.00 2.97 C ATOM 28 OH TYR A 2 13.543 12.322 -7.977 1.00 3.73 O ATOM 0 H TYR A 2 6.046 12.886 -3.892 1.00 1.16 H new ATOM 0 HA TYR A 2 8.118 12.038 -3.850 1.00 1.12 H new ATOM 0 HB2 TYR A 2 8.165 10.608 -5.620 1.00 1.31 H new ATOM 0 HB3 TYR A 2 7.581 11.804 -6.759 1.00 1.31 H new ATOM 0 HD1 TYR A 2 10.651 10.809 -4.857 1.00 2.21 H new ATOM 0 HD2 TYR A 2 9.075 12.862 -8.241 1.00 1.84 H new ATOM 0 HE1 TYR A 2 12.924 11.112 -5.738 1.00 2.90 H new ATOM 0 HE2 TYR A 2 11.346 13.157 -9.124 1.00 2.43 H new ATOM 0 HH TYR A 2 13.501 12.802 -8.830 1.00 3.73 H new ATOM 38 N ASP A 3 8.563 14.746 -5.689 1.00 1.44 N ATOM 39 CA ASP A 3 9.353 15.971 -5.757 1.00 1.65 C ATOM 40 C ASP A 3 9.207 16.796 -4.476 1.00 1.53 C ATOM 41 O ASP A 3 10.210 17.233 -3.917 1.00 1.62 O ATOM 42 CB ASP A 3 8.981 16.814 -6.980 1.00 1.99 C ATOM 43 CG ASP A 3 9.894 18.016 -7.128 1.00 2.44 C ATOM 44 OD1 ASP A 3 11.014 17.850 -7.656 1.00 2.78 O ATOM 45 OD2 ASP A 3 9.502 19.124 -6.710 1.00 2.63 O ATOM 0 H ASP A 3 7.831 14.672 -6.395 1.00 1.44 H new ATOM 0 HA ASP A 3 10.397 15.674 -5.858 1.00 1.65 H new ATOM 0 HB2 ASP A 3 9.040 16.199 -7.878 1.00 1.99 H new ATOM 0 HB3 ASP A 3 7.948 17.150 -6.891 1.00 1.99 H new ATOM 50 N PRO A 4 7.968 17.049 -3.998 1.00 1.46 N ATOM 51 CA PRO A 4 7.755 17.649 -2.691 1.00 1.45 C ATOM 52 C PRO A 4 7.574 16.593 -1.603 1.00 1.27 C ATOM 53 O PRO A 4 8.397 16.458 -0.700 1.00 1.34 O ATOM 54 CB PRO A 4 6.474 18.466 -2.886 1.00 1.61 C ATOM 55 CG PRO A 4 5.799 17.918 -4.113 1.00 1.63 C ATOM 56 CD PRO A 4 6.690 16.844 -4.692 1.00 1.52 C ATOM 0 HA PRO A 4 8.604 18.248 -2.362 1.00 1.45 H new ATOM 0 HB2 PRO A 4 5.824 18.381 -2.015 1.00 1.61 H new ATOM 0 HB3 PRO A 4 6.704 19.524 -3.010 1.00 1.61 H new ATOM 0 HG2 PRO A 4 4.822 17.507 -3.860 1.00 1.63 H new ATOM 0 HG3 PRO A 4 5.632 18.710 -4.843 1.00 1.63 H new ATOM 0 HD2 PRO A 4 6.289 15.847 -4.508 1.00 1.52 H new ATOM 0 HD3 PRO A 4 6.798 16.950 -5.771 1.00 1.52 H new ATOM 64 N PHE A 5 6.494 15.844 -1.706 1.00 1.17 N ATOM 65 CA PHE A 5 6.218 14.734 -0.822 1.00 1.11 C ATOM 66 C PHE A 5 5.519 13.673 -1.642 1.00 0.94 C ATOM 67 O PHE A 5 4.948 13.980 -2.690 1.00 1.01 O ATOM 68 CB PHE A 5 5.331 15.154 0.360 1.00 1.40 C ATOM 69 CG PHE A 5 5.970 16.152 1.287 1.00 1.63 C ATOM 70 CD1 PHE A 5 5.589 17.485 1.264 1.00 1.75 C ATOM 71 CD2 PHE A 5 6.953 15.756 2.178 1.00 2.34 C ATOM 72 CE1 PHE A 5 6.175 18.402 2.116 1.00 2.39 C ATOM 73 CE2 PHE A 5 7.543 16.667 3.030 1.00 3.21 C ATOM 74 CZ PHE A 5 7.147 18.002 2.995 1.00 3.19 C ATOM 0 H PHE A 5 5.776 15.993 -2.415 1.00 1.17 H new ATOM 0 HA PHE A 5 7.151 14.361 -0.399 1.00 1.11 H new ATOM 0 HB2 PHE A 5 4.404 15.577 -0.028 1.00 1.40 H new ATOM 0 HB3 PHE A 5 5.061 14.266 0.931 1.00 1.40 H new ATOM 0 HD1 PHE A 5 4.826 17.810 0.573 1.00 1.75 H new ATOM 0 HD2 PHE A 5 7.262 14.721 2.206 1.00 2.34 H new ATOM 0 HE1 PHE A 5 5.866 19.436 2.089 1.00 2.39 H new ATOM 0 HE2 PHE A 5 8.309 16.346 3.721 1.00 3.21 H new ATOM 0 HZ PHE A 5 7.605 18.720 3.659 1.00 3.19 H new ATOM 84 N VAL A 6 5.580 12.431 -1.219 1.00 0.85 N ATOM 85 CA VAL A 6 4.889 11.390 -1.951 1.00 0.79 C ATOM 86 C VAL A 6 3.442 11.307 -1.488 1.00 0.69 C ATOM 87 O VAL A 6 3.171 11.169 -0.304 1.00 0.77 O ATOM 88 CB VAL A 6 5.592 10.033 -1.791 1.00 0.92 C ATOM 89 CG1 VAL A 6 4.797 8.927 -2.464 1.00 1.44 C ATOM 90 CG2 VAL A 6 6.999 10.112 -2.360 1.00 1.41 C ATOM 0 H VAL A 6 6.088 12.119 -0.391 1.00 0.85 H new ATOM 0 HA VAL A 6 4.908 11.644 -3.011 1.00 0.79 H new ATOM 0 HB VAL A 6 5.655 9.794 -0.729 1.00 0.92 H new ATOM 0 HG11 VAL A 6 5.316 7.977 -2.336 1.00 1.44 H new ATOM 0 HG12 VAL A 6 3.807 8.864 -2.012 1.00 1.44 H new ATOM 0 HG13 VAL A 6 4.697 9.146 -3.527 1.00 1.44 H new ATOM 0 HG21 VAL A 6 7.493 9.147 -2.244 1.00 1.41 H new ATOM 0 HG22 VAL A 6 6.950 10.370 -3.418 1.00 1.41 H new ATOM 0 HG23 VAL A 6 7.565 10.876 -1.827 1.00 1.41 H new ATOM 100 N ARG A 7 2.514 11.433 -2.417 1.00 0.64 N ATOM 101 CA ARG A 7 1.109 11.378 -2.074 1.00 0.56 C ATOM 102 C ARG A 7 0.379 10.386 -2.951 1.00 0.54 C ATOM 103 O ARG A 7 0.630 10.299 -4.154 1.00 0.64 O ATOM 104 CB ARG A 7 0.452 12.756 -2.197 1.00 0.57 C ATOM 105 CG ARG A 7 -0.996 12.779 -1.724 1.00 0.57 C ATOM 106 CD ARG A 7 -1.594 14.173 -1.790 1.00 0.71 C ATOM 107 NE ARG A 7 -1.630 14.707 -3.152 1.00 1.61 N ATOM 108 CZ ARG A 7 -2.735 15.190 -3.726 1.00 2.25 C ATOM 109 NH1 ARG A 7 -3.905 15.092 -3.105 1.00 2.26 N ATOM 110 NH2 ARG A 7 -2.681 15.737 -4.932 1.00 3.37 N ATOM 0 H ARG A 7 2.707 11.573 -3.409 1.00 0.64 H new ATOM 0 HA ARG A 7 1.041 11.052 -1.036 1.00 0.56 H new ATOM 0 HB2 ARG A 7 1.027 13.478 -1.618 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.492 13.078 -3.238 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.589 12.101 -2.338 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.049 12.410 -0.700 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -2.606 14.149 -1.386 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -1.014 14.844 -1.156 1.00 0.71 H new ATOM 0 HE ARG A 7 -0.765 14.711 -3.692 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -3.960 14.647 -2.189 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -4.748 15.461 -3.544 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -1.791 15.791 -5.428 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -3.529 16.104 -5.364 1.00 3.37 H new ATOM 124 N HIS A 8 -0.499 9.624 -2.331 1.00 0.47 N ATOM 125 CA HIS A 8 -1.421 8.780 -3.063 1.00 0.46 C ATOM 126 C HIS A 8 -2.821 9.281 -2.800 1.00 0.39 C ATOM 127 O HIS A 8 -3.198 9.502 -1.655 1.00 0.39 O ATOM 128 CB HIS A 8 -1.233 7.296 -2.656 1.00 0.56 C ATOM 129 CG HIS A 8 -2.480 6.466 -2.454 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.624 5.585 -1.399 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.611 6.341 -3.190 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.784 4.959 -1.498 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.399 5.397 -2.577 1.00 0.76 N ATOM 0 H HIS A 8 -0.593 9.572 -1.317 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.228 8.829 -4.135 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.626 6.811 -3.421 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.658 7.271 -1.730 1.00 0.56 H new ATOM 0 HD1 HIS A 8 -1.939 5.440 -0.657 1.00 0.46 H new ATOM 0 HD2 HIS A 8 -3.849 6.884 -4.093 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -4.162 4.216 -0.812 1.00 0.41 H new ATOM 142 N SER A 9 -3.594 9.434 -3.852 1.00 0.42 N ATOM 143 CA SER A 9 -4.943 9.909 -3.708 1.00 0.40 C ATOM 144 C SER A 9 -5.866 9.080 -4.581 1.00 0.41 C ATOM 145 O SER A 9 -5.808 9.124 -5.807 1.00 0.53 O ATOM 146 CB SER A 9 -5.028 11.400 -4.053 1.00 0.52 C ATOM 147 OG SER A 9 -6.058 12.040 -3.317 1.00 1.28 O ATOM 0 H SER A 9 -3.309 9.236 -4.811 1.00 0.42 H new ATOM 0 HA SER A 9 -5.259 9.799 -2.671 1.00 0.40 H new ATOM 0 HB2 SER A 9 -4.073 11.880 -3.840 1.00 0.52 H new ATOM 0 HB3 SER A 9 -5.213 11.519 -5.121 1.00 0.52 H new ATOM 0 HG SER A 9 -5.665 12.540 -2.571 1.00 1.28 H new ATOM 153 N VAL A 10 -6.684 8.296 -3.916 1.00 0.35 N ATOM 154 CA VAL A 10 -7.603 7.386 -4.576 1.00 0.36 C ATOM 155 C VAL A 10 -9.032 7.620 -4.107 1.00 0.32 C ATOM 156 O VAL A 10 -9.265 7.916 -2.933 1.00 0.32 O ATOM 157 CB VAL A 10 -7.179 5.919 -4.307 1.00 0.45 C ATOM 158 CG1 VAL A 10 -8.373 4.983 -4.206 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.226 5.450 -5.391 1.00 1.18 C ATOM 0 H VAL A 10 -6.734 8.269 -2.898 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.566 7.576 -5.649 1.00 0.36 H new ATOM 0 HB VAL A 10 -6.673 5.894 -3.342 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.024 3.968 -4.017 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.018 5.303 -3.388 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -8.934 5.006 -5.141 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -5.932 4.419 -5.196 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -6.720 5.509 -6.361 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.340 6.085 -5.396 1.00 1.18 H new ATOM 169 N THR A 11 -9.983 7.503 -5.023 1.00 0.35 N ATOM 170 CA THR A 11 -11.381 7.605 -4.665 1.00 0.34 C ATOM 171 C THR A 11 -12.001 6.213 -4.608 1.00 0.33 C ATOM 172 O THR A 11 -12.100 5.516 -5.617 1.00 0.43 O ATOM 173 CB THR A 11 -12.152 8.479 -5.673 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.484 9.737 -5.829 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.579 8.716 -5.203 1.00 0.51 C ATOM 0 H THR A 11 -9.808 7.338 -6.014 1.00 0.35 H new ATOM 0 HA THR A 11 -11.448 8.077 -3.685 1.00 0.34 H new ATOM 0 HB THR A 11 -12.184 7.957 -6.629 1.00 0.46 H new ATOM 0 HG1 THR A 11 -11.975 10.291 -6.472 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.104 9.335 -5.931 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.093 7.760 -5.103 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.565 9.223 -4.238 1.00 0.51 H new ATOM 183 N VAL A 12 -12.418 5.819 -3.423 1.00 0.29 N ATOM 184 CA VAL A 12 -13.029 4.522 -3.221 1.00 0.35 C ATOM 185 C VAL A 12 -14.546 4.636 -3.288 1.00 0.32 C ATOM 186 O VAL A 12 -15.149 5.464 -2.606 1.00 0.36 O ATOM 187 CB VAL A 12 -12.586 3.912 -1.874 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.457 2.731 -1.490 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.127 3.488 -1.952 1.00 0.81 C ATOM 0 H VAL A 12 -12.344 6.385 -2.577 1.00 0.29 H new ATOM 0 HA VAL A 12 -12.697 3.857 -4.018 1.00 0.35 H new ATOM 0 HB VAL A 12 -12.699 4.674 -1.102 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.119 2.324 -0.537 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.493 3.058 -1.398 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.386 1.961 -2.259 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -10.821 3.059 -0.998 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.006 2.745 -2.740 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -10.507 4.357 -2.174 1.00 0.81 H new ATOM 199 N LYS A 13 -15.149 3.793 -4.111 1.00 0.34 N ATOM 200 CA LYS A 13 -16.578 3.858 -4.388 1.00 0.38 C ATOM 201 C LYS A 13 -17.344 2.778 -3.623 1.00 0.31 C ATOM 202 O LYS A 13 -18.365 2.279 -4.096 1.00 0.37 O ATOM 203 CB LYS A 13 -16.834 3.725 -5.904 1.00 0.58 C ATOM 204 CG LYS A 13 -16.135 2.542 -6.573 1.00 0.68 C ATOM 205 CD LYS A 13 -14.675 2.847 -6.900 1.00 0.97 C ATOM 206 CE LYS A 13 -14.546 3.950 -7.941 1.00 0.88 C ATOM 207 NZ LYS A 13 -14.992 3.507 -9.289 1.00 0.98 N ATOM 0 H LYS A 13 -14.664 3.045 -4.606 1.00 0.34 H new ATOM 0 HA LYS A 13 -16.942 4.828 -4.050 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -17.908 3.635 -6.070 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -16.511 4.644 -6.394 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -16.185 1.673 -5.916 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -16.664 2.280 -7.489 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -14.153 3.144 -5.990 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.188 1.943 -7.266 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -15.137 4.811 -7.630 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -13.508 4.278 -7.993 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -15.064 4.331 -9.919 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -14.303 2.832 -9.678 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -15.922 3.047 -9.213 1.00 0.98 H new ATOM 221 N ALA A 14 -16.862 2.438 -2.429 1.00 0.29 N ATOM 222 CA ALA A 14 -17.530 1.438 -1.597 1.00 0.30 C ATOM 223 C ALA A 14 -17.326 1.716 -0.106 1.00 0.28 C ATOM 224 O ALA A 14 -17.373 0.794 0.711 1.00 0.31 O ATOM 225 CB ALA A 14 -17.037 0.041 -1.944 1.00 0.36 C ATOM 0 H ALA A 14 -16.018 2.837 -2.018 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.598 1.500 -1.804 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -17.545 -0.691 -1.315 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.251 -0.170 -2.992 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -15.962 -0.018 -1.774 1.00 0.36 H new ATOM 231 N ASP A 15 -17.114 2.988 0.235 1.00 0.28 N ATOM 232 CA ASP A 15 -16.999 3.433 1.634 1.00 0.31 C ATOM 233 C ASP A 15 -15.655 3.026 2.270 1.00 0.28 C ATOM 234 O ASP A 15 -14.899 2.226 1.710 1.00 0.29 O ATOM 235 CB ASP A 15 -18.193 2.919 2.459 1.00 0.39 C ATOM 236 CG ASP A 15 -18.185 3.391 3.898 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.764 2.625 4.785 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.591 4.544 4.143 1.00 0.76 O ATOM 0 H ASP A 15 -17.017 3.741 -0.446 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.021 4.523 1.636 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.119 3.244 1.984 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.192 1.829 2.443 1.00 0.39 H new ATOM 243 N ARG A 16 -15.372 3.592 3.445 1.00 0.28 N ATOM 244 CA ARG A 16 -14.062 3.483 4.083 1.00 0.27 C ATOM 245 C ARG A 16 -13.785 2.069 4.566 1.00 0.28 C ATOM 246 O ARG A 16 -12.638 1.619 4.546 1.00 0.28 O ATOM 247 CB ARG A 16 -13.966 4.466 5.254 1.00 0.29 C ATOM 248 CG ARG A 16 -12.545 4.846 5.616 1.00 0.28 C ATOM 249 CD ARG A 16 -12.490 6.191 6.328 1.00 0.40 C ATOM 250 NE ARG A 16 -13.202 6.189 7.602 1.00 0.93 N ATOM 251 CZ ARG A 16 -12.844 6.935 8.644 1.00 1.32 C ATOM 252 NH1 ARG A 16 -11.859 7.817 8.520 1.00 1.37 N ATOM 253 NH2 ARG A 16 -13.484 6.820 9.801 1.00 1.88 N ATOM 0 H ARG A 16 -16.046 4.139 3.980 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.308 3.731 3.336 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.522 5.370 5.004 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.448 4.026 6.127 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.114 4.077 6.256 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.937 4.887 4.712 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.449 6.463 6.500 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.917 6.957 5.680 1.00 0.40 H new ATOM 0 HE ARG A 16 -14.017 5.584 7.699 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.378 7.922 7.627 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -11.584 8.390 9.318 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.254 6.158 9.894 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -13.206 7.394 10.597 1.00 1.88 H new ATOM 267 N LYS A 17 -14.829 1.367 4.992 1.00 0.33 N ATOM 268 CA LYS A 17 -14.675 -0.009 5.453 1.00 0.39 C ATOM 269 C LYS A 17 -14.091 -0.881 4.349 1.00 0.35 C ATOM 270 O LYS A 17 -13.192 -1.681 4.591 1.00 0.37 O ATOM 271 CB LYS A 17 -16.012 -0.584 5.930 1.00 0.53 C ATOM 272 CG LYS A 17 -17.161 -0.340 4.971 1.00 1.34 C ATOM 273 CD LYS A 17 -18.436 -1.018 5.438 1.00 1.70 C ATOM 274 CE LYS A 17 -19.662 -0.387 4.803 1.00 2.46 C ATOM 275 NZ LYS A 17 -19.872 1.006 5.285 1.00 3.05 N ATOM 0 H LYS A 17 -15.784 1.724 5.028 1.00 0.33 H new ATOM 0 HA LYS A 17 -13.986 -0.003 6.297 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -15.901 -1.657 6.083 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.260 -0.148 6.898 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -17.333 0.732 4.875 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -16.894 -0.710 3.981 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -18.399 -2.078 5.187 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -18.510 -0.949 6.523 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -19.551 -0.385 3.719 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -20.542 -0.989 5.032 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -20.452 1.528 4.597 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -20.359 0.986 6.204 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -18.952 1.479 5.391 1.00 3.05 H new ATOM 289 N THR A 18 -14.587 -0.701 3.133 1.00 0.35 N ATOM 290 CA THR A 18 -14.114 -1.458 2.000 1.00 0.36 C ATOM 291 C THR A 18 -12.720 -1.000 1.584 1.00 0.33 C ATOM 292 O THR A 18 -11.880 -1.812 1.204 1.00 0.37 O ATOM 293 CB THR A 18 -15.080 -1.306 0.823 1.00 0.41 C ATOM 294 OG1 THR A 18 -16.419 -1.564 1.264 1.00 1.11 O ATOM 295 CG2 THR A 18 -14.718 -2.260 -0.292 1.00 0.80 C ATOM 0 H THR A 18 -15.323 -0.030 2.913 1.00 0.35 H new ATOM 0 HA THR A 18 -14.063 -2.507 2.291 1.00 0.36 H new ATOM 0 HB THR A 18 -15.009 -0.287 0.443 1.00 0.41 H new ATOM 0 HG1 THR A 18 -17.016 -0.865 0.924 1.00 1.11 H new ATOM 0 HG21 THR A 18 -15.417 -2.135 -1.119 1.00 0.80 H new ATOM 0 HG22 THR A 18 -13.706 -2.049 -0.638 1.00 0.80 H new ATOM 0 HG23 THR A 18 -14.769 -3.285 0.075 1.00 0.80 H new ATOM 303 N ALA A 19 -12.474 0.304 1.670 1.00 0.29 N ATOM 304 CA ALA A 19 -11.169 0.857 1.335 1.00 0.29 C ATOM 305 C ALA A 19 -10.092 0.262 2.235 1.00 0.28 C ATOM 306 O ALA A 19 -9.041 -0.167 1.762 1.00 0.32 O ATOM 307 CB ALA A 19 -11.185 2.374 1.457 1.00 0.31 C ATOM 0 H ALA A 19 -13.162 0.996 1.969 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.939 0.597 0.302 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.202 2.770 1.203 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.929 2.786 0.775 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.436 2.654 2.480 1.00 0.31 H new ATOM 313 N PHE A 20 -10.377 0.217 3.530 1.00 0.25 N ATOM 314 CA PHE A 20 -9.456 -0.355 4.501 1.00 0.26 C ATOM 315 C PHE A 20 -9.360 -1.866 4.324 1.00 0.31 C ATOM 316 O PHE A 20 -8.262 -2.430 4.322 1.00 0.33 O ATOM 317 CB PHE A 20 -9.919 -0.014 5.916 1.00 0.28 C ATOM 318 CG PHE A 20 -9.110 -0.660 6.999 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.911 -0.101 7.407 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.541 -1.831 7.596 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.158 -0.700 8.396 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.793 -2.433 8.587 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.627 -1.843 9.022 1.00 0.38 C ATOM 0 H PHE A 20 -11.244 0.572 3.933 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.466 0.070 4.339 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.883 1.067 6.047 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.961 -0.314 6.028 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.562 0.812 6.947 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.473 -2.279 7.283 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.205 -0.279 8.681 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.122 -3.366 9.021 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.080 -2.271 9.849 1.00 0.38 H new ATOM 333 N LYS A 21 -10.516 -2.515 4.177 1.00 0.35 N ATOM 334 CA LYS A 21 -10.566 -3.952 3.930 1.00 0.42 C ATOM 335 C LYS A 21 -9.706 -4.322 2.737 1.00 0.44 C ATOM 336 O LYS A 21 -8.879 -5.213 2.824 1.00 0.49 O ATOM 337 CB LYS A 21 -12.006 -4.424 3.687 1.00 0.49 C ATOM 338 CG LYS A 21 -12.103 -5.819 3.071 1.00 0.64 C ATOM 339 CD LYS A 21 -11.659 -6.900 4.046 1.00 1.24 C ATOM 340 CE LYS A 21 -11.643 -8.277 3.394 1.00 1.79 C ATOM 341 NZ LYS A 21 -10.557 -8.418 2.382 1.00 2.39 N ATOM 0 H LYS A 21 -11.430 -2.065 4.225 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.180 -4.449 4.820 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.545 -4.417 4.634 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.506 -3.712 3.031 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -13.131 -6.009 2.761 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.486 -5.864 2.173 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -10.663 -6.664 4.422 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -12.329 -6.912 4.905 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -11.519 -9.038 4.164 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -12.606 -8.461 2.917 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -10.671 -9.318 1.873 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -10.608 -7.629 1.706 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -9.633 -8.406 2.860 1.00 2.39 H new ATOM 355 N THR A 22 -9.895 -3.629 1.629 1.00 0.43 N ATOM 356 CA THR A 22 -9.168 -3.944 0.417 1.00 0.48 C ATOM 357 C THR A 22 -7.684 -3.611 0.566 1.00 0.49 C ATOM 358 O THR A 22 -6.835 -4.456 0.316 1.00 0.68 O ATOM 359 CB THR A 22 -9.759 -3.198 -0.796 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.181 -3.364 -0.819 1.00 0.48 O ATOM 361 CG2 THR A 22 -9.182 -3.722 -2.104 1.00 0.58 C ATOM 0 H THR A 22 -10.544 -2.847 1.545 1.00 0.43 H new ATOM 0 HA THR A 22 -9.268 -5.016 0.245 1.00 0.48 H new ATOM 0 HB THR A 22 -9.501 -2.144 -0.697 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.598 -2.695 -0.237 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.619 -3.175 -2.939 1.00 0.58 H new ATOM 0 HG22 THR A 22 -8.101 -3.584 -2.106 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.412 -4.783 -2.204 1.00 0.58 H new ATOM 369 N PHE A 23 -7.378 -2.398 1.022 1.00 0.37 N ATOM 370 CA PHE A 23 -5.995 -1.928 1.071 1.00 0.38 C ATOM 371 C PHE A 23 -5.147 -2.737 2.060 1.00 0.38 C ATOM 372 O PHE A 23 -3.988 -3.034 1.780 1.00 0.43 O ATOM 373 CB PHE A 23 -5.944 -0.433 1.423 1.00 0.37 C ATOM 374 CG PHE A 23 -4.563 0.168 1.351 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.031 0.588 0.138 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.799 0.313 2.499 1.00 0.40 C ATOM 377 CE1 PHE A 23 -2.764 1.137 0.077 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.531 0.862 2.440 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.014 1.275 1.228 1.00 0.48 C ATOM 0 H PHE A 23 -8.066 -1.725 1.361 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.570 -2.074 0.078 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.602 0.112 0.746 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.337 -0.294 2.430 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.613 0.484 -0.766 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.199 -0.006 3.450 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.360 1.458 -0.872 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -1.945 0.968 3.341 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.025 1.705 1.180 1.00 0.48 H new ATOM 389 N LEU A 24 -5.711 -3.096 3.206 1.00 0.35 N ATOM 390 CA LEU A 24 -4.926 -3.793 4.219 1.00 0.37 C ATOM 391 C LEU A 24 -5.344 -5.256 4.362 1.00 0.39 C ATOM 392 O LEU A 24 -4.501 -6.151 4.329 1.00 0.48 O ATOM 393 CB LEU A 24 -5.032 -3.088 5.574 1.00 0.40 C ATOM 394 CG LEU A 24 -3.903 -3.426 6.548 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.574 -2.915 6.003 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.179 -2.839 7.924 1.00 0.44 C ATOM 0 H LEU A 24 -6.685 -2.922 3.455 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.889 -3.771 3.884 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.044 -2.010 5.410 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -5.984 -3.351 6.034 1.00 0.40 H new ATOM 0 HG LEU A 24 -3.848 -4.510 6.652 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -1.775 -3.160 6.703 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.370 -3.385 5.041 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.625 -1.834 5.875 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.362 -3.093 8.599 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.262 -1.755 7.847 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.111 -3.248 8.314 1.00 0.44 H new ATOM 408 N GLU A 25 -6.642 -5.505 4.497 1.00 0.40 N ATOM 409 CA GLU A 25 -7.131 -6.859 4.761 1.00 0.46 C ATOM 410 C GLU A 25 -7.357 -7.611 3.456 1.00 0.54 C ATOM 411 O GLU A 25 -7.977 -8.674 3.432 1.00 1.01 O ATOM 412 CB GLU A 25 -8.437 -6.818 5.556 1.00 0.51 C ATOM 413 CG GLU A 25 -8.359 -5.984 6.819 1.00 0.66 C ATOM 414 CD GLU A 25 -9.582 -6.144 7.693 1.00 0.91 C ATOM 415 OE1 GLU A 25 -9.554 -6.978 8.619 1.00 1.24 O ATOM 416 OE2 GLU A 25 -10.581 -5.429 7.460 1.00 1.18 O ATOM 0 H GLU A 25 -7.372 -4.795 4.429 1.00 0.40 H new ATOM 0 HA GLU A 25 -6.373 -7.379 5.348 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -9.227 -6.422 4.918 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.722 -7.836 5.821 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -7.472 -6.269 7.385 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -8.242 -4.934 6.551 1.00 0.66 H new ATOM 423 N GLY A 26 -6.881 -7.031 2.372 1.00 0.37 N ATOM 424 CA GLY A 26 -7.025 -7.635 1.072 1.00 0.45 C ATOM 425 C GLY A 26 -5.809 -7.381 0.225 1.00 0.48 C ATOM 426 O GLY A 26 -5.883 -7.387 -0.998 1.00 0.83 O ATOM 0 H GLY A 26 -6.389 -6.137 2.371 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.180 -8.708 1.180 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -7.909 -7.234 0.576 1.00 0.45 H new ATOM 430 N PHE A 27 -4.685 -7.177 0.893 1.00 0.42 N ATOM 431 CA PHE A 27 -3.432 -6.857 0.230 1.00 0.44 C ATOM 432 C PHE A 27 -3.142 -7.830 -0.923 1.00 0.47 C ATOM 433 O PHE A 27 -2.844 -7.395 -2.032 1.00 0.53 O ATOM 434 CB PHE A 27 -2.291 -6.858 1.259 1.00 0.48 C ATOM 435 CG PHE A 27 -0.971 -6.407 0.711 1.00 0.49 C ATOM 436 CD1 PHE A 27 -0.821 -5.129 0.200 1.00 0.57 C ATOM 437 CD2 PHE A 27 0.119 -7.259 0.709 1.00 0.63 C ATOM 438 CE1 PHE A 27 0.392 -4.709 -0.307 1.00 0.65 C ATOM 439 CE2 PHE A 27 1.336 -6.845 0.205 1.00 0.74 C ATOM 440 CZ PHE A 27 1.472 -5.569 -0.305 1.00 0.71 C ATOM 0 H PHE A 27 -4.616 -7.229 1.909 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.513 -5.862 -0.207 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.567 -6.211 2.092 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.180 -7.865 1.661 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -1.663 -4.453 0.198 1.00 0.57 H new ATOM 0 HD2 PHE A 27 0.017 -8.258 1.106 1.00 0.63 H new ATOM 0 HE1 PHE A 27 0.496 -3.710 -0.704 1.00 0.65 H new ATOM 0 HE2 PHE A 27 2.180 -7.518 0.210 1.00 0.74 H new ATOM 0 HZ PHE A 27 2.422 -5.244 -0.702 1.00 0.71 H new ATOM 450 N PRO A 28 -3.233 -9.158 -0.699 1.00 0.49 N ATOM 451 CA PRO A 28 -2.978 -10.143 -1.750 1.00 0.57 C ATOM 452 C PRO A 28 -4.215 -10.557 -2.565 1.00 0.59 C ATOM 453 O PRO A 28 -4.242 -11.659 -3.115 1.00 0.76 O ATOM 454 CB PRO A 28 -2.488 -11.324 -0.929 1.00 0.73 C ATOM 455 CG PRO A 28 -3.342 -11.284 0.285 1.00 0.74 C ATOM 456 CD PRO A 28 -3.523 -9.824 0.596 1.00 0.52 C ATOM 0 HA PRO A 28 -2.296 -9.755 -2.507 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -2.603 -12.263 -1.470 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -1.431 -11.228 -0.679 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -4.301 -11.770 0.107 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -2.869 -11.807 1.116 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.534 -9.609 0.941 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -2.842 -9.493 1.380 1.00 0.52 H new ATOM 464 N GLU A 29 -5.238 -9.708 -2.652 1.00 0.54 N ATOM 465 CA GLU A 29 -6.425 -10.075 -3.431 1.00 0.67 C ATOM 466 C GLU A 29 -6.571 -9.210 -4.682 1.00 0.69 C ATOM 467 O GLU A 29 -7.401 -9.499 -5.547 1.00 0.85 O ATOM 468 CB GLU A 29 -7.708 -9.991 -2.588 1.00 0.85 C ATOM 469 CG GLU A 29 -8.183 -8.573 -2.300 1.00 0.90 C ATOM 470 CD GLU A 29 -9.510 -8.533 -1.564 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.525 -8.765 -0.338 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.544 -8.259 -2.207 1.00 1.49 O ATOM 0 H GLU A 29 -5.274 -8.790 -2.209 1.00 0.54 H new ATOM 0 HA GLU A 29 -6.282 -11.110 -3.741 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -8.503 -10.529 -3.105 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -7.540 -10.504 -1.641 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.429 -8.056 -1.707 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.278 -8.029 -3.240 1.00 0.90 H new ATOM 479 N TRP A 30 -5.766 -8.158 -4.780 1.00 0.64 N ATOM 480 CA TRP A 30 -5.885 -7.211 -5.887 1.00 0.81 C ATOM 481 C TRP A 30 -5.393 -7.826 -7.193 1.00 0.66 C ATOM 482 O TRP A 30 -4.524 -8.696 -7.203 1.00 0.74 O ATOM 483 CB TRP A 30 -5.093 -5.927 -5.615 1.00 1.07 C ATOM 484 CG TRP A 30 -5.283 -5.357 -4.244 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.354 -5.523 -3.419 1.00 0.50 C ATOM 486 CD2 TRP A 30 -4.368 -4.507 -3.545 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.147 -4.851 -2.241 1.00 0.80 N ATOM 488 CE2 TRP A 30 -4.937 -4.216 -2.298 1.00 2.05 C ATOM 489 CE3 TRP A 30 -3.116 -3.974 -3.851 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -4.299 -3.413 -1.357 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -2.484 -3.174 -2.918 1.00 4.62 C ATOM 492 CH2 TRP A 30 -3.075 -2.901 -1.683 1.00 4.29 C ATOM 0 H TRP A 30 -5.028 -7.938 -4.112 1.00 0.64 H new ATOM 0 HA TRP A 30 -6.943 -6.966 -5.977 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -4.033 -6.131 -5.766 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -5.381 -5.175 -6.350 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -7.236 -6.099 -3.657 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -6.791 -4.829 -1.451 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -2.648 -4.183 -4.802 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -4.756 -3.202 -0.402 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -1.516 -2.753 -3.148 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -2.556 -2.274 -0.973 1.00 4.29 H new ATOM 503 N TRP A 31 -5.950 -7.346 -8.292 1.00 0.55 N ATOM 504 CA TRP A 31 -5.574 -7.803 -9.627 1.00 0.57 C ATOM 505 C TRP A 31 -4.213 -7.244 -10.099 1.00 0.60 C ATOM 506 O TRP A 31 -3.413 -7.994 -10.657 1.00 0.74 O ATOM 507 CB TRP A 31 -6.638 -7.389 -10.649 1.00 0.74 C ATOM 508 CG TRP A 31 -8.051 -7.567 -10.188 1.00 0.62 C ATOM 509 CD1 TRP A 31 -8.968 -6.576 -9.974 1.00 0.69 C ATOM 510 CD2 TRP A 31 -8.711 -8.801 -9.886 1.00 1.24 C ATOM 511 NE1 TRP A 31 -10.159 -7.123 -9.562 1.00 1.10 N ATOM 512 CE2 TRP A 31 -10.026 -8.485 -9.499 1.00 1.54 C ATOM 513 CE3 TRP A 31 -8.318 -10.144 -9.906 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -10.950 -9.462 -9.137 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -9.237 -11.111 -9.548 1.00 2.53 C ATOM 516 CH2 TRP A 31 -10.539 -10.767 -9.167 1.00 2.78 C ATOM 0 H TRP A 31 -6.675 -6.629 -8.288 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.492 -8.888 -9.560 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.484 -6.342 -10.909 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.492 -7.969 -11.560 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -8.784 -5.520 -10.109 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -11.006 -6.600 -9.339 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -7.315 -10.419 -10.196 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -11.955 -9.199 -8.843 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -8.946 -12.151 -9.562 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -11.233 -11.547 -8.891 1.00 2.78 H new ATOM 527 N PRO A 32 -3.925 -5.927 -9.886 1.00 0.71 N ATOM 528 CA PRO A 32 -2.816 -5.227 -10.562 1.00 0.84 C ATOM 529 C PRO A 32 -1.451 -5.899 -10.412 1.00 0.85 C ATOM 530 O PRO A 32 -0.915 -6.444 -11.374 1.00 1.36 O ATOM 531 CB PRO A 32 -2.794 -3.841 -9.901 1.00 1.01 C ATOM 532 CG PRO A 32 -3.596 -3.987 -8.655 1.00 0.92 C ATOM 533 CD PRO A 32 -4.628 -5.019 -8.966 1.00 0.87 C ATOM 0 HA PRO A 32 -2.986 -5.214 -11.639 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.774 -3.528 -9.678 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -3.223 -3.085 -10.558 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.970 -4.298 -7.819 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -4.059 -3.041 -8.373 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.964 -5.536 -8.068 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.511 -4.579 -9.430 1.00 0.87 H new ATOM 541 N ASN A 33 -0.882 -5.849 -9.214 1.00 0.53 N ATOM 542 CA ASN A 33 0.451 -6.397 -8.988 1.00 0.57 C ATOM 543 C ASN A 33 0.389 -7.540 -7.982 1.00 0.67 C ATOM 544 O ASN A 33 1.255 -8.414 -7.952 1.00 0.72 O ATOM 545 CB ASN A 33 1.398 -5.292 -8.489 1.00 0.60 C ATOM 546 CG ASN A 33 2.845 -5.745 -8.401 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.262 -6.192 -7.227 1.00 1.51 O flip ATOM 548 ND2 ASN A 33 3.589 -5.676 -9.377 1.00 0.76 N flip ATOM 0 H ASN A 33 -1.318 -5.438 -8.389 1.00 0.53 H new ATOM 0 HA ASN A 33 0.836 -6.787 -9.930 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.332 -4.435 -9.159 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.068 -4.955 -7.506 1.00 0.60 H new ATOM 0 HD21 ASN A 33 3.232 -5.326 -10.266 1.00 0.76 H new ATOM 0 HD22 ASN A 33 4.563 -5.969 -9.298 1.00 0.76 H new ATOM 555 N ASN A 34 -0.688 -7.559 -7.216 1.00 0.85 N ATOM 556 CA ASN A 34 -0.815 -8.439 -6.060 1.00 1.03 C ATOM 557 C ASN A 34 -1.494 -9.755 -6.422 1.00 1.40 C ATOM 558 O ASN A 34 -1.989 -10.470 -5.555 1.00 1.74 O ATOM 559 CB ASN A 34 -1.614 -7.715 -4.979 1.00 1.07 C ATOM 560 CG ASN A 34 -0.929 -6.439 -4.532 1.00 1.16 C ATOM 561 OD1 ASN A 34 -0.951 -5.432 -5.241 1.00 1.79 O ATOM 562 ND2 ASN A 34 -0.334 -6.465 -3.356 1.00 1.47 N ATOM 0 H ASN A 34 -1.502 -6.965 -7.376 1.00 0.85 H new ATOM 0 HA ASN A 34 0.183 -8.682 -5.695 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -2.609 -7.480 -5.358 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -1.747 -8.375 -4.122 1.00 1.07 H new ATOM 0 HD21 ASN A 34 0.132 -5.630 -3.002 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -0.339 -7.320 -2.801 1.00 1.47 H new ATOM 569 N PHE A 35 -1.483 -10.085 -7.703 1.00 1.51 N ATOM 570 CA PHE A 35 -2.132 -11.300 -8.180 1.00 1.98 C ATOM 571 C PHE A 35 -1.097 -12.410 -8.370 1.00 2.03 C ATOM 572 O PHE A 35 -1.364 -13.435 -8.994 1.00 2.51 O ATOM 573 CB PHE A 35 -2.872 -11.010 -9.494 1.00 2.40 C ATOM 574 CG PHE A 35 -3.889 -12.053 -9.867 1.00 2.92 C ATOM 575 CD1 PHE A 35 -3.652 -12.922 -10.920 1.00 3.19 C ATOM 576 CD2 PHE A 35 -5.077 -12.166 -9.162 1.00 3.49 C ATOM 577 CE1 PHE A 35 -4.583 -13.885 -11.263 1.00 3.91 C ATOM 578 CE2 PHE A 35 -6.011 -13.125 -9.501 1.00 4.27 C ATOM 579 CZ PHE A 35 -5.772 -13.976 -10.559 1.00 4.45 C ATOM 0 H PHE A 35 -1.033 -9.531 -8.432 1.00 1.51 H new ATOM 0 HA PHE A 35 -2.858 -11.636 -7.440 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -3.371 -10.044 -9.413 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -2.142 -10.925 -10.299 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -2.731 -12.846 -11.478 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -5.274 -11.496 -8.338 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -4.383 -14.565 -12.078 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -6.929 -13.208 -8.937 1.00 4.27 H new ATOM 0 HZ PHE A 35 -6.511 -14.712 -10.838 1.00 4.45 H new ATOM 589 N ARG A 36 0.082 -12.207 -7.799 1.00 1.65 N ATOM 590 CA ARG A 36 1.184 -13.150 -7.944 1.00 1.75 C ATOM 591 C ARG A 36 1.397 -13.932 -6.657 1.00 1.59 C ATOM 592 O ARG A 36 1.145 -13.426 -5.569 1.00 1.48 O ATOM 593 CB ARG A 36 2.466 -12.406 -8.324 1.00 1.73 C ATOM 594 CG ARG A 36 2.881 -12.592 -9.775 1.00 1.84 C ATOM 595 CD ARG A 36 1.783 -12.190 -10.745 1.00 2.25 C ATOM 596 NE ARG A 36 1.353 -10.805 -10.558 1.00 2.72 N ATOM 597 CZ ARG A 36 1.001 -9.999 -11.555 1.00 3.34 C ATOM 598 NH1 ARG A 36 1.186 -10.367 -12.815 1.00 3.59 N ATOM 599 NH2 ARG A 36 0.516 -8.798 -11.289 1.00 4.14 N ATOM 0 H ARG A 36 0.302 -11.392 -7.227 1.00 1.65 H new ATOM 0 HA ARG A 36 0.932 -13.854 -8.737 1.00 1.75 H new ATOM 0 HB2 ARG A 36 2.328 -11.342 -8.130 1.00 1.73 H new ATOM 0 HB3 ARG A 36 3.276 -12.746 -7.679 1.00 1.73 H new ATOM 0 HG2 ARG A 36 3.774 -11.999 -9.974 1.00 1.84 H new ATOM 0 HG3 ARG A 36 3.147 -13.635 -9.943 1.00 1.84 H new ATOM 0 HD2 ARG A 36 2.138 -12.322 -11.767 1.00 2.25 H new ATOM 0 HD3 ARG A 36 0.928 -12.853 -10.617 1.00 2.25 H new ATOM 0 HE ARG A 36 1.321 -10.436 -9.608 1.00 2.72 H new ATOM 0 HH11 ARG A 36 1.601 -11.275 -13.026 1.00 3.59 H new ATOM 0 HH12 ARG A 36 0.913 -9.743 -13.574 1.00 3.59 H new ATOM 0 HH21 ARG A 36 0.413 -8.492 -10.321 1.00 4.14 H new ATOM 0 HH22 ARG A 36 0.245 -8.177 -12.052 1.00 4.14 H new ATOM 613 N THR A 37 1.875 -15.160 -6.782 1.00 1.75 N ATOM 614 CA THR A 37 2.117 -15.996 -5.620 1.00 1.72 C ATOM 615 C THR A 37 3.396 -15.560 -4.919 1.00 1.37 C ATOM 616 O THR A 37 4.389 -15.260 -5.579 1.00 1.37 O ATOM 617 CB THR A 37 2.206 -17.487 -6.011 1.00 2.19 C ATOM 618 OG1 THR A 37 3.129 -17.661 -7.096 1.00 2.53 O ATOM 619 CG2 THR A 37 0.838 -18.021 -6.412 1.00 2.68 C ATOM 0 H THR A 37 2.102 -15.598 -7.675 1.00 1.75 H new ATOM 0 HA THR A 37 1.276 -15.877 -4.937 1.00 1.72 H new ATOM 0 HB THR A 37 2.560 -18.045 -5.144 1.00 2.19 H new ATOM 0 HG1 THR A 37 3.179 -18.610 -7.334 1.00 2.53 H new ATOM 0 HG21 THR A 37 0.923 -19.073 -6.684 1.00 2.68 H new ATOM 0 HG22 THR A 37 0.147 -17.917 -5.575 1.00 2.68 H new ATOM 0 HG23 THR A 37 0.462 -17.455 -7.265 1.00 2.68 H new ATOM 627 N THR A 38 3.334 -15.502 -3.584 1.00 1.24 N ATOM 628 CA THR A 38 4.408 -14.994 -2.713 1.00 1.07 C ATOM 629 C THR A 38 4.640 -13.495 -2.914 1.00 1.09 C ATOM 630 O THR A 38 4.705 -12.750 -1.945 1.00 1.38 O ATOM 631 CB THR A 38 5.760 -15.761 -2.826 1.00 1.16 C ATOM 632 OG1 THR A 38 6.375 -15.574 -4.106 1.00 1.42 O ATOM 633 CG2 THR A 38 5.570 -17.248 -2.562 1.00 1.37 C ATOM 0 H THR A 38 2.515 -15.815 -3.062 1.00 1.24 H new ATOM 0 HA THR A 38 4.040 -15.175 -1.703 1.00 1.07 H new ATOM 0 HB THR A 38 6.421 -15.345 -2.066 1.00 1.16 H new ATOM 0 HG1 THR A 38 5.791 -15.935 -4.805 1.00 1.42 H new ATOM 0 HG21 THR A 38 6.529 -17.758 -2.648 1.00 1.37 H new ATOM 0 HG22 THR A 38 5.171 -17.391 -1.558 1.00 1.37 H new ATOM 0 HG23 THR A 38 4.873 -17.661 -3.291 1.00 1.37 H new ATOM 641 N LYS A 39 4.742 -13.061 -4.168 1.00 0.96 N ATOM 642 CA LYS A 39 4.957 -11.661 -4.502 1.00 1.09 C ATOM 643 C LYS A 39 3.702 -10.856 -4.214 1.00 1.22 C ATOM 644 O LYS A 39 2.825 -10.738 -5.070 1.00 1.97 O ATOM 645 CB LYS A 39 5.337 -11.522 -5.977 1.00 1.15 C ATOM 646 CG LYS A 39 5.609 -10.091 -6.428 1.00 1.49 C ATOM 647 CD LYS A 39 5.802 -10.018 -7.936 1.00 1.66 C ATOM 648 CE LYS A 39 6.141 -8.611 -8.403 1.00 2.28 C ATOM 649 NZ LYS A 39 6.423 -8.567 -9.864 1.00 2.90 N ATOM 0 H LYS A 39 4.677 -13.674 -4.981 1.00 0.96 H new ATOM 0 HA LYS A 39 5.773 -11.278 -3.889 1.00 1.09 H new ATOM 0 HB2 LYS A 39 6.225 -12.125 -6.169 1.00 1.15 H new ATOM 0 HB3 LYS A 39 4.533 -11.935 -6.587 1.00 1.15 H new ATOM 0 HG2 LYS A 39 4.778 -9.450 -6.133 1.00 1.49 H new ATOM 0 HG3 LYS A 39 6.499 -9.711 -5.926 1.00 1.49 H new ATOM 0 HD2 LYS A 39 6.599 -10.700 -8.232 1.00 1.66 H new ATOM 0 HD3 LYS A 39 4.893 -10.355 -8.434 1.00 1.66 H new ATOM 0 HE2 LYS A 39 5.312 -7.942 -8.172 1.00 2.28 H new ATOM 0 HE3 LYS A 39 7.009 -8.245 -7.854 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 6.650 -7.592 -10.145 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 7.230 -9.186 -10.081 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 5.586 -8.892 -10.389 1.00 2.90 H new ATOM 663 N VAL A 40 3.627 -10.366 -2.980 1.00 1.04 N ATOM 664 CA VAL A 40 2.521 -9.536 -2.466 1.00 1.22 C ATOM 665 C VAL A 40 1.145 -10.127 -2.759 1.00 1.42 C ATOM 666 O VAL A 40 0.135 -9.422 -2.714 1.00 1.83 O ATOM 667 CB VAL A 40 2.586 -8.060 -2.945 1.00 1.30 C ATOM 668 CG1 VAL A 40 3.866 -7.413 -2.453 1.00 1.78 C ATOM 669 CG2 VAL A 40 2.465 -7.922 -4.457 1.00 1.40 C ATOM 0 H VAL A 40 4.352 -10.536 -2.282 1.00 1.04 H new ATOM 0 HA VAL A 40 2.661 -9.537 -1.385 1.00 1.22 H new ATOM 0 HB VAL A 40 1.726 -7.545 -2.517 1.00 1.30 H new ATOM 0 HG11 VAL A 40 3.905 -6.378 -2.793 1.00 1.78 H new ATOM 0 HG12 VAL A 40 3.891 -7.438 -1.364 1.00 1.78 H new ATOM 0 HG13 VAL A 40 4.724 -7.957 -2.848 1.00 1.78 H new ATOM 0 HG21 VAL A 40 2.517 -6.868 -4.732 1.00 1.40 H new ATOM 0 HG22 VAL A 40 3.280 -8.463 -4.938 1.00 1.40 H new ATOM 0 HG23 VAL A 40 1.511 -8.336 -4.785 1.00 1.40 H new ATOM 679 N GLY A 41 1.107 -11.429 -3.013 1.00 1.42 N ATOM 680 CA GLY A 41 -0.150 -12.095 -3.259 1.00 1.82 C ATOM 681 C GLY A 41 -0.212 -13.470 -2.639 1.00 1.67 C ATOM 682 O GLY A 41 -1.055 -14.291 -3.001 1.00 2.17 O ATOM 0 H GLY A 41 1.928 -12.033 -3.052 1.00 1.42 H new ATOM 0 HA2 GLY A 41 -0.963 -11.486 -2.864 1.00 1.82 H new ATOM 0 HA3 GLY A 41 -0.308 -12.178 -4.334 1.00 1.82 H new ATOM 686 N ALA A 42 0.688 -13.725 -1.704 1.00 1.12 N ATOM 687 CA ALA A 42 0.635 -14.941 -0.909 1.00 1.00 C ATOM 688 C ALA A 42 -0.501 -14.822 0.108 1.00 1.01 C ATOM 689 O ALA A 42 -1.024 -13.728 0.301 1.00 1.09 O ATOM 690 CB ALA A 42 1.973 -15.169 -0.219 1.00 0.80 C ATOM 0 H ALA A 42 1.465 -13.105 -1.476 1.00 1.12 H new ATOM 0 HA ALA A 42 0.441 -15.800 -1.551 1.00 1.00 H new ATOM 0 HB1 ALA A 42 1.925 -16.082 0.375 1.00 0.80 H new ATOM 0 HB2 ALA A 42 2.758 -15.265 -0.969 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.195 -14.324 0.432 1.00 0.80 H new ATOM 696 N PRO A 43 -0.905 -15.927 0.765 1.00 1.05 N ATOM 697 CA PRO A 43 -2.029 -15.928 1.728 1.00 1.15 C ATOM 698 C PRO A 43 -1.758 -15.121 3.005 1.00 1.08 C ATOM 699 O PRO A 43 -1.985 -15.607 4.113 1.00 1.40 O ATOM 700 CB PRO A 43 -2.204 -17.414 2.079 1.00 1.29 C ATOM 701 CG PRO A 43 -1.462 -18.162 1.025 1.00 1.48 C ATOM 702 CD PRO A 43 -0.332 -17.271 0.611 1.00 1.11 C ATOM 0 HA PRO A 43 -2.909 -15.457 1.289 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -1.806 -17.633 3.070 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -3.258 -17.693 2.090 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -1.090 -19.112 1.408 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -2.110 -18.391 0.179 1.00 1.48 H new ATOM 0 HD2 PRO A 43 0.546 -17.411 1.242 1.00 1.11 H new ATOM 0 HD3 PRO A 43 -0.021 -17.463 -0.416 1.00 1.11 H new ATOM 710 N LEU A 44 -1.293 -13.887 2.847 1.00 0.87 N ATOM 711 CA LEU A 44 -1.069 -13.000 3.973 1.00 0.85 C ATOM 712 C LEU A 44 -0.956 -11.548 3.504 1.00 0.81 C ATOM 713 O LEU A 44 -1.962 -10.851 3.377 1.00 1.24 O ATOM 714 CB LEU A 44 0.185 -13.417 4.747 1.00 0.95 C ATOM 715 CG LEU A 44 0.545 -12.524 5.931 1.00 1.26 C ATOM 716 CD1 LEU A 44 -0.616 -12.430 6.908 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.781 -13.060 6.630 1.00 1.66 C ATOM 0 H LEU A 44 -1.063 -13.479 1.941 1.00 0.87 H new ATOM 0 HA LEU A 44 -1.926 -13.076 4.643 1.00 0.85 H new ATOM 0 HB2 LEU A 44 0.047 -14.436 5.110 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.029 -13.436 4.057 1.00 0.95 H new ATOM 0 HG LEU A 44 0.757 -11.522 5.557 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.337 -11.789 7.744 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.485 -12.009 6.402 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -0.860 -13.425 7.280 1.00 1.75 H new ATOM 0 HD21 LEU A 44 2.030 -12.416 7.473 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.586 -14.070 6.990 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.616 -13.079 5.929 1.00 1.66 H new ATOM 729 N GLY A 45 0.265 -11.096 3.242 1.00 0.61 N ATOM 730 CA GLY A 45 0.471 -9.742 2.772 1.00 0.75 C ATOM 731 C GLY A 45 0.699 -8.766 3.908 1.00 0.61 C ATOM 732 O GLY A 45 1.696 -8.046 3.932 1.00 0.61 O ATOM 0 H GLY A 45 1.117 -11.646 3.348 1.00 0.61 H new ATOM 0 HA2 GLY A 45 1.329 -9.720 2.100 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.396 -9.425 2.193 1.00 0.75 H new ATOM 736 N VAL A 46 -0.232 -8.743 4.849 1.00 0.54 N ATOM 737 CA VAL A 46 -0.157 -7.852 5.997 1.00 0.45 C ATOM 738 C VAL A 46 -0.626 -8.570 7.255 1.00 0.47 C ATOM 739 O VAL A 46 -1.586 -9.338 7.218 1.00 0.60 O ATOM 740 CB VAL A 46 -1.031 -6.590 5.811 1.00 0.47 C ATOM 741 CG1 VAL A 46 -0.904 -5.674 7.017 1.00 0.52 C ATOM 742 CG2 VAL A 46 -0.665 -5.848 4.533 1.00 0.49 C ATOM 0 H VAL A 46 -1.059 -9.340 4.839 1.00 0.54 H new ATOM 0 HA VAL A 46 0.886 -7.550 6.091 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.069 -6.910 5.724 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -1.525 -4.791 6.870 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.232 -6.203 7.912 1.00 0.52 H new ATOM 0 HG13 VAL A 46 0.136 -5.370 7.135 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.297 -4.966 4.431 1.00 0.49 H new ATOM 0 HG22 VAL A 46 0.380 -5.542 4.576 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -0.816 -6.504 3.676 1.00 0.49 H new ATOM 752 N ASP A 47 0.058 -8.323 8.359 1.00 0.41 N ATOM 753 CA ASP A 47 -0.375 -8.817 9.655 1.00 0.49 C ATOM 754 C ASP A 47 -0.854 -7.650 10.500 1.00 0.52 C ATOM 755 O ASP A 47 -0.059 -6.810 10.924 1.00 0.57 O ATOM 756 CB ASP A 47 0.757 -9.545 10.373 1.00 0.58 C ATOM 757 CG ASP A 47 0.297 -10.157 11.679 1.00 0.79 C ATOM 758 OD1 ASP A 47 -0.657 -10.959 11.663 1.00 1.11 O ATOM 759 OD2 ASP A 47 0.909 -9.856 12.724 1.00 0.95 O ATOM 0 H ASP A 47 0.921 -7.780 8.383 1.00 0.41 H new ATOM 0 HA ASP A 47 -1.189 -9.526 9.503 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.154 -10.327 9.726 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.572 -8.847 10.566 1.00 0.58 H new ATOM 764 N LYS A 48 -2.156 -7.595 10.731 1.00 0.63 N ATOM 765 CA LYS A 48 -2.771 -6.459 11.400 1.00 0.79 C ATOM 766 C LYS A 48 -2.587 -6.528 12.910 1.00 0.85 C ATOM 767 O LYS A 48 -2.687 -5.512 13.599 1.00 1.06 O ATOM 768 CB LYS A 48 -4.256 -6.397 11.059 1.00 1.01 C ATOM 769 CG LYS A 48 -4.518 -6.261 9.571 1.00 1.38 C ATOM 770 CD LYS A 48 -6.003 -6.239 9.246 1.00 1.34 C ATOM 771 CE LYS A 48 -6.703 -5.018 9.827 1.00 2.06 C ATOM 772 NZ LYS A 48 -7.201 -5.246 11.210 1.00 2.81 N ATOM 0 H LYS A 48 -2.811 -8.329 10.463 1.00 0.63 H new ATOM 0 HA LYS A 48 -2.276 -5.555 11.045 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.746 -7.298 11.427 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.708 -5.553 11.580 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -4.055 -5.345 9.205 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -4.045 -7.090 9.044 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -6.136 -6.251 8.164 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -6.471 -7.143 9.635 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -6.012 -4.175 9.828 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -7.540 -4.744 9.184 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -8.211 -5.003 11.260 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -7.073 -6.246 11.465 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -6.668 -4.648 11.874 1.00 2.81 H new ATOM 786 N LYS A 49 -2.312 -7.718 13.421 1.00 0.80 N ATOM 787 CA LYS A 49 -2.175 -7.899 14.857 1.00 0.97 C ATOM 788 C LYS A 49 -0.764 -7.534 15.322 1.00 1.14 C ATOM 789 O LYS A 49 -0.598 -6.842 16.329 1.00 1.32 O ATOM 790 CB LYS A 49 -2.551 -9.333 15.264 1.00 1.08 C ATOM 791 CG LYS A 49 -1.683 -10.415 14.640 1.00 1.35 C ATOM 792 CD LYS A 49 -2.290 -11.792 14.827 1.00 1.66 C ATOM 793 CE LYS A 49 -3.524 -11.979 13.954 1.00 2.40 C ATOM 794 NZ LYS A 49 -4.229 -13.252 14.251 1.00 3.17 N ATOM 0 H LYS A 49 -2.180 -8.565 12.869 1.00 0.80 H new ATOM 0 HA LYS A 49 -2.869 -7.222 15.355 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -2.490 -9.417 16.349 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -3.590 -9.515 14.988 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -1.557 -10.213 13.576 1.00 1.35 H new ATOM 0 HG3 LYS A 49 -0.690 -10.390 15.089 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -1.550 -12.554 14.582 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -2.558 -11.934 15.874 1.00 1.66 H new ATOM 0 HE2 LYS A 49 -4.206 -11.143 14.107 1.00 2.40 H new ATOM 0 HE3 LYS A 49 -3.231 -11.963 12.904 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 -5.062 -13.339 13.635 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -3.587 -14.052 14.081 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 -4.532 -13.257 15.246 1.00 3.17 H new ATOM 808 N GLY A 50 0.245 -7.978 14.580 1.00 1.22 N ATOM 809 CA GLY A 50 1.619 -7.655 14.913 1.00 1.53 C ATOM 810 C GLY A 50 2.067 -6.346 14.294 1.00 1.14 C ATOM 811 O GLY A 50 2.912 -5.644 14.852 1.00 1.29 O ATOM 0 H GLY A 50 0.134 -8.559 13.749 1.00 1.22 H new ATOM 0 HA2 GLY A 50 1.724 -7.597 15.996 1.00 1.53 H new ATOM 0 HA3 GLY A 50 2.272 -8.458 14.572 1.00 1.53 H new ATOM 815 N GLY A 51 1.503 -6.020 13.139 1.00 0.77 N ATOM 816 CA GLY A 51 1.819 -4.766 12.485 1.00 0.65 C ATOM 817 C GLY A 51 2.984 -4.884 11.522 1.00 0.56 C ATOM 818 O GLY A 51 3.955 -4.129 11.614 1.00 0.60 O ATOM 0 H GLY A 51 0.830 -6.604 12.642 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.941 -4.412 11.945 1.00 0.65 H new ATOM 0 HA3 GLY A 51 2.052 -4.016 13.241 1.00 0.65 H new ATOM 822 N ARG A 52 2.895 -5.818 10.588 1.00 0.51 N ATOM 823 CA ARG A 52 3.968 -6.018 9.626 1.00 0.53 C ATOM 824 C ARG A 52 3.401 -6.362 8.250 1.00 0.50 C ATOM 825 O ARG A 52 2.327 -6.944 8.152 1.00 0.60 O ATOM 826 CB ARG A 52 4.893 -7.148 10.093 1.00 0.68 C ATOM 827 CG ARG A 52 6.360 -6.885 9.812 1.00 1.04 C ATOM 828 CD ARG A 52 6.926 -5.852 10.772 1.00 1.42 C ATOM 829 NE ARG A 52 7.174 -6.415 12.100 1.00 2.14 N ATOM 830 CZ ARG A 52 6.924 -5.780 13.243 1.00 2.80 C ATOM 831 NH1 ARG A 52 6.326 -4.594 13.232 1.00 2.98 N ATOM 832 NH2 ARG A 52 7.245 -6.344 14.402 1.00 3.72 N ATOM 0 H ARG A 52 2.098 -6.445 10.476 1.00 0.51 H new ATOM 0 HA ARG A 52 4.536 -5.091 9.553 1.00 0.53 H new ATOM 0 HB2 ARG A 52 4.758 -7.298 11.164 1.00 0.68 H new ATOM 0 HB3 ARG A 52 4.598 -8.075 9.601 1.00 0.68 H new ATOM 0 HG2 ARG A 52 6.922 -7.814 9.901 1.00 1.04 H new ATOM 0 HG3 ARG A 52 6.480 -6.536 8.786 1.00 1.04 H new ATOM 0 HD2 ARG A 52 7.856 -5.453 10.368 1.00 1.42 H new ATOM 0 HD3 ARG A 52 6.231 -5.017 10.856 1.00 1.42 H new ATOM 0 HE ARG A 52 7.564 -7.356 12.153 1.00 2.14 H new ATOM 0 HH11 ARG A 52 6.057 -4.167 12.346 1.00 2.98 H new ATOM 0 HH12 ARG A 52 6.136 -4.110 14.110 1.00 2.98 H new ATOM 0 HH21 ARG A 52 7.684 -7.265 14.417 1.00 3.72 H new ATOM 0 HH22 ARG A 52 7.053 -5.856 15.277 1.00 3.72 H new ATOM 846 N TRP A 53 4.114 -5.990 7.193 1.00 0.52 N ATOM 847 CA TRP A 53 3.731 -6.386 5.839 1.00 0.53 C ATOM 848 C TRP A 53 4.664 -7.478 5.342 1.00 0.57 C ATOM 849 O TRP A 53 5.856 -7.237 5.160 1.00 0.73 O ATOM 850 CB TRP A 53 3.785 -5.206 4.862 1.00 0.65 C ATOM 851 CG TRP A 53 2.694 -4.191 5.033 1.00 0.55 C ATOM 852 CD1 TRP A 53 2.055 -3.850 6.186 1.00 0.53 C ATOM 853 CD2 TRP A 53 2.122 -3.372 4.004 1.00 0.73 C ATOM 854 NE1 TRP A 53 1.119 -2.877 5.939 1.00 0.68 N ATOM 855 CE2 TRP A 53 1.141 -2.567 4.609 1.00 0.82 C ATOM 856 CE3 TRP A 53 2.344 -3.245 2.630 1.00 0.95 C ATOM 857 CZ2 TRP A 53 0.383 -1.645 3.887 1.00 1.11 C ATOM 858 CZ3 TRP A 53 1.591 -2.330 1.916 1.00 1.20 C ATOM 859 CH2 TRP A 53 0.622 -1.541 2.546 1.00 1.28 C ATOM 0 H TRP A 53 4.957 -5.418 7.245 1.00 0.52 H new ATOM 0 HA TRP A 53 2.704 -6.749 5.882 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.747 -4.706 4.973 1.00 0.65 H new ATOM 0 HB3 TRP A 53 3.743 -5.594 3.844 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.256 -4.283 7.155 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.506 -2.454 6.636 1.00 0.68 H new ATOM 0 HE3 TRP A 53 3.089 -3.850 2.135 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.366 -1.035 4.371 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 1.754 -2.223 0.854 1.00 1.20 H new ATOM 0 HH2 TRP A 53 0.052 -0.836 1.960 1.00 1.28 H new ATOM 870 N TYR A 54 4.131 -8.667 5.136 1.00 0.49 N ATOM 871 CA TYR A 54 4.921 -9.789 4.650 1.00 0.58 C ATOM 872 C TYR A 54 4.008 -10.875 4.098 1.00 0.49 C ATOM 873 O TYR A 54 2.876 -11.035 4.556 1.00 0.52 O ATOM 874 CB TYR A 54 5.829 -10.347 5.762 1.00 0.75 C ATOM 875 CG TYR A 54 5.111 -10.883 6.988 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.253 -12.206 7.394 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.265 -10.066 7.726 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.577 -12.693 8.495 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.588 -10.545 8.830 1.00 0.95 C ATOM 880 CZ TYR A 54 3.843 -11.874 9.261 1.00 1.20 C ATOM 881 OH TYR A 54 3.072 -12.340 10.309 1.00 1.66 O ATOM 0 H TYR A 54 3.148 -8.885 5.298 1.00 0.49 H new ATOM 0 HA TYR A 54 5.564 -9.435 3.844 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.439 -11.147 5.341 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.512 -9.559 6.079 1.00 0.75 H new ATOM 0 HD1 TYR A 54 5.904 -12.864 6.838 1.00 0.73 H new ATOM 0 HD2 TYR A 54 4.134 -9.035 7.431 1.00 0.61 H new ATOM 0 HE1 TYR A 54 4.640 -13.743 8.741 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.879 -9.922 9.355 1.00 0.95 H new ATOM 0 HH TYR A 54 2.617 -11.587 10.740 1.00 1.66 H new ATOM 891 N GLU A 55 4.482 -11.602 3.099 1.00 0.52 N ATOM 892 CA GLU A 55 3.686 -12.647 2.495 1.00 0.56 C ATOM 893 C GLU A 55 4.408 -13.977 2.661 1.00 0.62 C ATOM 894 O GLU A 55 5.615 -14.008 2.905 1.00 0.81 O ATOM 895 CB GLU A 55 3.397 -12.344 1.008 1.00 0.73 C ATOM 896 CG GLU A 55 3.152 -10.869 0.704 1.00 0.81 C ATOM 897 CD GLU A 55 4.442 -10.073 0.504 1.00 1.51 C ATOM 898 OE1 GLU A 55 5.050 -10.167 -0.582 1.00 1.94 O ATOM 899 OE2 GLU A 55 4.842 -9.339 1.434 1.00 2.12 O ATOM 0 H GLU A 55 5.411 -11.485 2.694 1.00 0.52 H new ATOM 0 HA GLU A 55 2.720 -12.699 2.997 1.00 0.56 H new ATOM 0 HB2 GLU A 55 4.238 -12.692 0.408 1.00 0.73 H new ATOM 0 HB3 GLU A 55 2.524 -12.917 0.695 1.00 0.73 H new ATOM 0 HG2 GLU A 55 2.539 -10.787 -0.194 1.00 0.81 H new ATOM 0 HG3 GLU A 55 2.582 -10.426 1.521 1.00 0.81 H new ATOM 906 N ILE A 56 3.675 -15.071 2.534 1.00 0.63 N ATOM 907 CA ILE A 56 4.240 -16.389 2.785 1.00 0.68 C ATOM 908 C ILE A 56 5.102 -16.828 1.609 1.00 0.70 C ATOM 909 O ILE A 56 4.607 -17.027 0.502 1.00 0.80 O ATOM 910 CB ILE A 56 3.140 -17.446 3.029 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.127 -16.947 4.067 1.00 0.90 C ATOM 912 CG2 ILE A 56 3.762 -18.761 3.482 1.00 0.92 C ATOM 913 CD1 ILE A 56 2.729 -16.657 5.427 1.00 0.90 C ATOM 0 H ILE A 56 2.692 -15.074 2.260 1.00 0.63 H new ATOM 0 HA ILE A 56 4.851 -16.312 3.685 1.00 0.68 H new ATOM 0 HB ILE A 56 2.611 -17.614 2.091 1.00 0.83 H new ATOM 0 HG12 ILE A 56 1.653 -16.041 3.690 1.00 0.90 H new ATOM 0 HG13 ILE A 56 1.341 -17.694 4.181 1.00 0.90 H new ATOM 0 HG21 ILE A 56 2.975 -19.497 3.650 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.442 -19.126 2.712 1.00 0.92 H new ATOM 0 HG23 ILE A 56 4.314 -18.602 4.408 1.00 0.92 H new ATOM 0 HD11 ILE A 56 1.949 -16.309 6.104 1.00 0.90 H new ATOM 0 HD12 ILE A 56 3.178 -17.566 5.828 1.00 0.90 H new ATOM 0 HD13 ILE A 56 3.494 -15.887 5.329 1.00 0.90 H new ATOM 925 N ASP A 57 6.398 -16.950 1.858 1.00 0.65 N ATOM 926 CA ASP A 57 7.350 -17.325 0.822 1.00 0.72 C ATOM 927 C ASP A 57 7.788 -18.781 1.011 1.00 0.76 C ATOM 928 O ASP A 57 7.227 -19.492 1.846 1.00 0.96 O ATOM 929 CB ASP A 57 8.552 -16.379 0.863 1.00 0.84 C ATOM 930 CG ASP A 57 9.413 -16.457 -0.386 1.00 1.35 C ATOM 931 OD1 ASP A 57 8.939 -16.049 -1.464 1.00 1.71 O ATOM 932 OD2 ASP A 57 10.562 -16.919 -0.284 1.00 1.97 O ATOM 0 H ASP A 57 6.817 -16.794 2.775 1.00 0.65 H new ATOM 0 HA ASP A 57 6.876 -17.240 -0.156 1.00 0.72 H new ATOM 0 HB2 ASP A 57 8.198 -15.356 0.990 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.163 -16.615 1.734 1.00 0.84 H new ATOM 937 N GLU A 58 8.795 -19.220 0.262 1.00 0.87 N ATOM 938 CA GLU A 58 9.184 -20.625 0.249 1.00 1.01 C ATOM 939 C GLU A 58 9.873 -21.059 1.543 1.00 1.04 C ATOM 940 O GLU A 58 9.629 -22.162 2.027 1.00 1.17 O ATOM 941 CB GLU A 58 10.068 -20.940 -0.963 1.00 1.35 C ATOM 942 CG GLU A 58 11.275 -20.029 -1.123 1.00 1.54 C ATOM 943 CD GLU A 58 12.140 -20.425 -2.299 1.00 2.04 C ATOM 944 OE1 GLU A 58 11.584 -20.728 -3.375 1.00 2.43 O ATOM 945 OE2 GLU A 58 13.377 -20.440 -2.154 1.00 2.21 O ATOM 0 H GLU A 58 9.356 -18.622 -0.344 1.00 0.87 H new ATOM 0 HA GLU A 58 8.262 -21.200 0.171 1.00 1.01 H new ATOM 0 HB2 GLU A 58 10.415 -21.970 -0.884 1.00 1.35 H new ATOM 0 HB3 GLU A 58 9.460 -20.877 -1.865 1.00 1.35 H new ATOM 0 HG2 GLU A 58 10.937 -19.001 -1.253 1.00 1.54 H new ATOM 0 HG3 GLU A 58 11.871 -20.056 -0.211 1.00 1.54 H new ATOM 952 N GLN A 59 10.717 -20.208 2.118 1.00 1.10 N ATOM 953 CA GLN A 59 11.400 -20.575 3.359 1.00 1.36 C ATOM 954 C GLN A 59 10.562 -20.200 4.574 1.00 1.39 C ATOM 955 O GLN A 59 10.991 -20.375 5.711 1.00 1.70 O ATOM 956 CB GLN A 59 12.803 -19.952 3.463 1.00 1.60 C ATOM 957 CG GLN A 59 12.830 -18.449 3.713 1.00 1.69 C ATOM 958 CD GLN A 59 12.554 -17.644 2.466 1.00 1.62 C ATOM 959 OE1 GLN A 59 11.294 -17.323 2.239 1.00 2.39 O flip ATOM 960 NE2 GLN A 59 13.467 -17.303 1.722 1.00 1.40 N flip ATOM 0 H GLN A 59 10.943 -19.281 1.758 1.00 1.10 H new ATOM 0 HA GLN A 59 11.526 -21.657 3.338 1.00 1.36 H new ATOM 0 HB2 GLN A 59 13.344 -20.448 4.269 1.00 1.60 H new ATOM 0 HB3 GLN A 59 13.345 -20.160 2.540 1.00 1.60 H new ATOM 0 HG2 GLN A 59 12.090 -18.198 4.473 1.00 1.69 H new ATOM 0 HG3 GLN A 59 13.805 -18.169 4.112 1.00 1.69 H new ATOM 0 HE21 GLN A 59 14.427 -17.573 1.936 1.00 1.40 H new ATOM 0 HE22 GLN A 59 13.266 -16.749 0.889 1.00 1.40 H new ATOM 969 N GLY A 60 9.358 -19.703 4.333 1.00 1.19 N ATOM 970 CA GLY A 60 8.488 -19.357 5.432 1.00 1.39 C ATOM 971 C GLY A 60 7.655 -18.123 5.169 1.00 1.45 C ATOM 972 O GLY A 60 6.721 -18.150 4.374 1.00 2.29 O ATOM 0 H GLY A 60 8.972 -19.535 3.404 1.00 1.19 H new ATOM 0 HA2 GLY A 60 7.825 -20.197 5.640 1.00 1.39 H new ATOM 0 HA3 GLY A 60 9.090 -19.197 6.326 1.00 1.39 H new ATOM 976 N GLU A 61 8.020 -17.032 5.814 1.00 1.11 N ATOM 977 CA GLU A 61 7.191 -15.832 5.838 1.00 1.15 C ATOM 978 C GLU A 61 8.024 -14.588 5.586 1.00 1.26 C ATOM 979 O GLU A 61 7.619 -13.477 5.925 1.00 1.72 O ATOM 980 CB GLU A 61 6.482 -15.676 7.195 1.00 1.33 C ATOM 981 CG GLU A 61 5.589 -16.840 7.610 1.00 1.38 C ATOM 982 CD GLU A 61 6.357 -18.014 8.193 1.00 1.69 C ATOM 983 OE1 GLU A 61 6.100 -19.166 7.783 1.00 1.77 O ATOM 984 OE2 GLU A 61 7.239 -17.787 9.048 1.00 2.31 O ATOM 0 H GLU A 61 8.893 -16.947 6.335 1.00 1.11 H new ATOM 0 HA GLU A 61 6.449 -15.943 5.047 1.00 1.15 H new ATOM 0 HB2 GLU A 61 7.239 -15.530 7.965 1.00 1.33 H new ATOM 0 HB3 GLU A 61 5.877 -14.770 7.166 1.00 1.33 H new ATOM 0 HG2 GLU A 61 4.865 -16.488 8.345 1.00 1.38 H new ATOM 0 HG3 GLU A 61 5.023 -17.181 6.743 1.00 1.38 H new ATOM 991 N GLU A 62 9.175 -14.757 4.971 1.00 1.06 N ATOM 992 CA GLU A 62 10.088 -13.648 4.815 1.00 1.20 C ATOM 993 C GLU A 62 9.913 -12.999 3.455 1.00 1.00 C ATOM 994 O GLU A 62 10.674 -13.245 2.520 1.00 1.08 O ATOM 995 CB GLU A 62 11.525 -14.107 5.016 1.00 1.54 C ATOM 996 CG GLU A 62 12.491 -12.958 5.262 1.00 1.98 C ATOM 997 CD GLU A 62 13.911 -13.420 5.506 1.00 2.16 C ATOM 998 OE1 GLU A 62 14.198 -13.907 6.618 1.00 2.61 O ATOM 999 OE2 GLU A 62 14.752 -13.283 4.593 1.00 2.56 O ATOM 0 H GLU A 62 9.497 -15.640 4.576 1.00 1.06 H new ATOM 0 HA GLU A 62 9.859 -12.903 5.577 1.00 1.20 H new ATOM 0 HB2 GLU A 62 11.565 -14.795 5.861 1.00 1.54 H new ATOM 0 HB3 GLU A 62 11.849 -14.663 4.136 1.00 1.54 H new ATOM 0 HG2 GLU A 62 12.476 -12.288 4.403 1.00 1.98 H new ATOM 0 HG3 GLU A 62 12.150 -12.382 6.122 1.00 1.98 H new ATOM 1006 N HIS A 63 8.867 -12.209 3.341 1.00 0.90 N ATOM 1007 CA HIS A 63 8.637 -11.426 2.146 1.00 0.85 C ATOM 1008 C HIS A 63 8.540 -9.958 2.494 1.00 0.92 C ATOM 1009 O HIS A 63 7.761 -9.594 3.363 1.00 1.22 O ATOM 1010 CB HIS A 63 7.365 -11.880 1.443 1.00 0.96 C ATOM 1011 CG HIS A 63 7.611 -12.284 0.034 1.00 1.85 C ATOM 1012 ND1 HIS A 63 7.264 -11.521 -1.055 1.00 2.82 N ATOM 1013 CD2 HIS A 63 8.204 -13.380 -0.450 1.00 2.22 C ATOM 1014 CE1 HIS A 63 7.656 -12.136 -2.157 1.00 3.72 C ATOM 1015 NE2 HIS A 63 8.229 -13.273 -1.815 1.00 3.37 N ATOM 0 H HIS A 63 8.159 -12.092 4.066 1.00 0.90 H new ATOM 0 HA HIS A 63 9.479 -11.576 1.470 1.00 0.85 H new ATOM 0 HB2 HIS A 63 6.931 -12.718 1.988 1.00 0.96 H new ATOM 0 HB3 HIS A 63 6.633 -11.073 1.464 1.00 0.96 H new ATOM 0 HD1 HIS A 63 6.781 -10.623 -1.019 1.00 2.82 H new ATOM 0 HD2 HIS A 63 8.594 -14.203 0.131 1.00 2.22 H new ATOM 0 HE1 HIS A 63 7.529 -11.770 -3.165 1.00 3.72 H new ATOM 1024 N THR A 64 9.364 -9.152 1.826 1.00 0.97 N ATOM 1025 CA THR A 64 9.362 -7.688 1.935 1.00 1.01 C ATOM 1026 C THR A 64 9.688 -7.181 3.351 1.00 1.50 C ATOM 1027 O THR A 64 10.732 -6.557 3.550 1.00 2.27 O ATOM 1028 CB THR A 64 8.043 -7.053 1.412 1.00 1.03 C ATOM 1029 OG1 THR A 64 6.905 -7.460 2.189 1.00 1.77 O ATOM 1030 CG2 THR A 64 7.817 -7.409 -0.051 1.00 1.44 C ATOM 0 H THR A 64 10.069 -9.504 1.178 1.00 0.97 H new ATOM 0 HA THR A 64 10.172 -7.357 1.285 1.00 1.01 H new ATOM 0 HB THR A 64 8.150 -5.973 1.510 1.00 1.03 H new ATOM 0 HG1 THR A 64 6.367 -8.096 1.673 1.00 1.77 H new ATOM 0 HG21 THR A 64 6.889 -6.955 -0.397 1.00 1.44 H new ATOM 0 HG22 THR A 64 8.648 -7.036 -0.649 1.00 1.44 H new ATOM 0 HG23 THR A 64 7.752 -8.492 -0.156 1.00 1.44 H new ATOM 1038 N PHE A 65 8.799 -7.449 4.310 1.00 1.66 N ATOM 1039 CA PHE A 65 8.956 -7.028 5.705 1.00 2.32 C ATOM 1040 C PHE A 65 8.694 -5.526 5.850 1.00 1.96 C ATOM 1041 O PHE A 65 9.611 -4.727 6.025 1.00 2.43 O ATOM 1042 CB PHE A 65 10.343 -7.409 6.251 1.00 3.26 C ATOM 1043 CG PHE A 65 10.492 -7.239 7.737 1.00 4.27 C ATOM 1044 CD1 PHE A 65 9.883 -8.124 8.612 1.00 4.99 C ATOM 1045 CD2 PHE A 65 11.249 -6.203 8.258 1.00 4.69 C ATOM 1046 CE1 PHE A 65 10.024 -7.977 9.978 1.00 6.10 C ATOM 1047 CE2 PHE A 65 11.393 -6.051 9.623 1.00 5.77 C ATOM 1048 CZ PHE A 65 10.779 -6.938 10.484 1.00 6.48 C ATOM 0 H PHE A 65 7.939 -7.971 4.138 1.00 1.66 H new ATOM 0 HA PHE A 65 8.214 -7.558 6.303 1.00 2.32 H new ATOM 0 HB2 PHE A 65 10.549 -8.448 5.994 1.00 3.26 H new ATOM 0 HB3 PHE A 65 11.097 -6.801 5.750 1.00 3.26 H new ATOM 0 HD1 PHE A 65 9.291 -8.938 8.221 1.00 4.99 H new ATOM 0 HD2 PHE A 65 11.732 -5.506 7.589 1.00 4.69 H new ATOM 0 HE1 PHE A 65 9.544 -8.674 10.649 1.00 6.10 H new ATOM 0 HE2 PHE A 65 11.986 -5.239 10.017 1.00 5.77 H new ATOM 0 HZ PHE A 65 10.889 -6.819 11.552 1.00 6.48 H new ATOM 1058 N GLY A 66 7.422 -5.152 5.739 1.00 1.23 N ATOM 1059 CA GLY A 66 7.032 -3.755 5.843 1.00 0.93 C ATOM 1060 C GLY A 66 6.867 -3.311 7.278 1.00 0.80 C ATOM 1061 O GLY A 66 6.485 -4.108 8.136 1.00 0.96 O ATOM 0 H GLY A 66 6.648 -5.797 5.578 1.00 1.23 H new ATOM 0 HA2 GLY A 66 7.784 -3.133 5.357 1.00 0.93 H new ATOM 0 HA3 GLY A 66 6.095 -3.601 5.307 1.00 0.93 H new ATOM 1065 N LEU A 67 7.112 -2.036 7.534 1.00 0.64 N ATOM 1066 CA LEU A 67 7.144 -1.534 8.901 1.00 0.65 C ATOM 1067 C LEU A 67 5.927 -0.670 9.209 1.00 0.51 C ATOM 1068 O LEU A 67 5.928 0.531 8.956 1.00 0.54 O ATOM 1069 CB LEU A 67 8.445 -0.750 9.179 1.00 0.76 C ATOM 1070 CG LEU A 67 8.844 0.314 8.140 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.727 1.381 8.779 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.584 -0.322 6.969 1.00 1.14 C ATOM 0 H LEU A 67 7.291 -1.332 6.818 1.00 0.64 H new ATOM 0 HA LEU A 67 7.118 -2.401 9.562 1.00 0.65 H new ATOM 0 HB2 LEU A 67 8.347 -0.260 10.148 1.00 0.76 H new ATOM 0 HB3 LEU A 67 9.262 -1.466 9.265 1.00 0.76 H new ATOM 0 HG LEU A 67 7.930 0.778 7.770 1.00 0.64 H new ATOM 0 HD11 LEU A 67 9.999 2.124 8.030 1.00 1.17 H new ATOM 0 HD12 LEU A 67 9.183 1.865 9.590 1.00 1.17 H new ATOM 0 HD13 LEU A 67 10.630 0.917 9.174 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.856 0.449 6.248 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.487 -0.813 7.333 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.940 -1.058 6.488 1.00 1.14 H new ATOM 1084 N ILE A 68 4.877 -1.283 9.745 1.00 0.43 N ATOM 1085 CA ILE A 68 3.695 -0.528 10.130 1.00 0.38 C ATOM 1086 C ILE A 68 3.988 0.304 11.374 1.00 0.45 C ATOM 1087 O ILE A 68 4.623 -0.166 12.315 1.00 0.61 O ATOM 1088 CB ILE A 68 2.466 -1.425 10.396 1.00 0.38 C ATOM 1089 CG1 ILE A 68 2.094 -2.218 9.140 1.00 0.38 C ATOM 1090 CG2 ILE A 68 1.287 -0.579 10.852 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.794 -2.990 9.267 1.00 0.44 C ATOM 0 H ILE A 68 4.821 -2.286 9.920 1.00 0.43 H new ATOM 0 HA ILE A 68 3.451 0.118 9.287 1.00 0.38 H new ATOM 0 HB ILE A 68 2.720 -2.131 11.186 1.00 0.38 H new ATOM 0 HG12 ILE A 68 2.017 -1.531 8.297 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.899 -2.916 8.910 1.00 0.38 H new ATOM 0 HG21 ILE A 68 0.427 -1.223 11.036 1.00 0.46 H new ATOM 0 HG22 ILE A 68 1.550 -0.053 11.770 1.00 0.46 H new ATOM 0 HG23 ILE A 68 1.038 0.146 10.077 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.597 -3.526 8.339 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.873 -3.703 10.088 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.023 -2.296 9.466 1.00 0.44 H new ATOM 1103 N ARG A 69 3.541 1.546 11.352 1.00 0.43 N ATOM 1104 CA ARG A 69 3.765 2.469 12.450 1.00 0.55 C ATOM 1105 C ARG A 69 2.449 2.747 13.172 1.00 0.51 C ATOM 1106 O ARG A 69 2.436 3.120 14.344 1.00 0.67 O ATOM 1107 CB ARG A 69 4.348 3.780 11.909 1.00 0.70 C ATOM 1108 CG ARG A 69 5.295 3.586 10.730 1.00 1.19 C ATOM 1109 CD ARG A 69 6.613 2.960 11.153 1.00 0.74 C ATOM 1110 NE ARG A 69 7.489 3.931 11.794 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.539 3.610 12.543 1.00 1.35 C ATOM 1112 NH1 ARG A 69 8.831 2.337 12.775 1.00 2.00 N ATOM 1113 NH2 ARG A 69 9.302 4.559 13.061 1.00 1.83 N ATOM 0 H ARG A 69 3.014 1.943 10.574 1.00 0.43 H new ATOM 0 HA ARG A 69 4.469 2.025 13.154 1.00 0.55 H new ATOM 0 HB2 ARG A 69 3.530 4.433 11.604 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.880 4.290 12.712 1.00 0.70 H new ATOM 0 HG2 ARG A 69 4.817 2.953 9.982 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.487 4.549 10.257 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.421 2.135 11.839 1.00 0.74 H new ATOM 0 HD3 ARG A 69 7.113 2.539 10.280 1.00 0.74 H new ATOM 0 HE ARG A 69 7.284 4.921 11.659 1.00 1.08 H new ATOM 0 HH11 ARG A 69 8.249 1.600 12.378 1.00 2.00 H new ATOM 0 HH12 ARG A 69 9.638 2.096 13.350 1.00 2.00 H new ATOM 0 HH21 ARG A 69 9.085 5.540 12.886 1.00 1.83 H new ATOM 0 HH22 ARG A 69 10.107 4.309 13.635 1.00 1.83 H new ATOM 1127 N LYS A 70 1.341 2.565 12.453 1.00 0.39 N ATOM 1128 CA LYS A 70 0.010 2.813 12.997 1.00 0.41 C ATOM 1129 C LYS A 70 -1.067 2.130 12.158 1.00 0.35 C ATOM 1130 O LYS A 70 -1.200 2.406 10.966 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.273 4.320 13.047 1.00 0.53 C ATOM 1132 CG LYS A 70 -1.734 4.663 13.324 1.00 0.62 C ATOM 1133 CD LYS A 70 -1.995 6.157 13.202 1.00 0.99 C ATOM 1134 CE LYS A 70 -1.409 6.928 14.372 1.00 1.08 C ATOM 1135 NZ LYS A 70 -2.163 6.690 15.628 1.00 1.53 N ATOM 0 H LYS A 70 1.342 2.244 11.485 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.015 2.400 14.005 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.349 4.772 13.819 1.00 0.53 H new ATOM 0 HB3 LYS A 70 0.022 4.767 12.098 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.373 4.124 12.625 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -2.003 4.327 14.326 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -1.565 6.527 12.271 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -3.069 6.336 13.150 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -0.368 6.637 14.513 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -1.414 7.994 14.143 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -2.190 7.566 16.188 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -3.134 6.395 15.400 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -1.694 5.942 16.178 1.00 1.53 H new ATOM 1149 N VAL A 71 -1.815 1.232 12.781 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.027 0.688 12.179 1.00 0.36 C ATOM 1151 C VAL A 71 -4.232 1.255 12.922 1.00 0.37 C ATOM 1152 O VAL A 71 -4.608 0.753 13.983 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.077 -0.862 12.232 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.356 -1.378 11.588 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -1.858 -1.476 11.555 1.00 0.77 C ATOM 0 H VAL A 71 -1.604 0.862 13.708 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.037 0.974 11.127 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.068 -1.161 13.280 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.373 -2.467 11.635 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.219 -0.978 12.121 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.393 -1.059 10.546 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.921 -2.563 11.608 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.826 -1.165 10.511 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -0.953 -1.140 12.061 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.817 2.317 12.390 1.00 0.33 N ATOM 1166 CA ASP A 72 -5.900 3.003 13.085 1.00 0.36 C ATOM 1167 C ASP A 72 -7.235 2.687 12.434 1.00 0.35 C ATOM 1168 O ASP A 72 -7.856 3.573 11.839 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.675 4.517 13.079 1.00 0.41 C ATOM 1170 CG ASP A 72 -6.122 5.184 14.366 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -7.326 5.132 14.691 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -5.260 5.776 15.056 1.00 1.42 O ATOM 0 H ASP A 72 -4.565 2.721 11.488 1.00 0.33 H new ATOM 0 HA ASP A 72 -5.912 2.651 14.116 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.617 4.722 12.918 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.216 4.957 12.241 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.631 1.407 12.520 1.00 0.38 N ATOM 1178 CA GLU A 73 -8.929 0.908 12.020 1.00 0.39 C ATOM 1179 C GLU A 73 -9.220 1.396 10.582 1.00 0.38 C ATOM 1180 O GLU A 73 -8.315 1.888 9.903 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.050 1.287 13.012 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.441 2.758 13.027 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.463 3.069 14.099 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.178 3.920 14.968 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.550 2.452 14.088 1.00 0.92 O ATOM 0 H GLU A 73 -7.055 0.679 12.943 1.00 0.38 H new ATOM 0 HA GLU A 73 -8.886 -0.179 11.959 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -10.935 0.696 12.776 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -9.735 1.002 14.016 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.551 3.367 13.189 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.844 3.035 12.053 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.447 1.193 10.040 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.842 1.835 8.783 1.00 0.32 C ATOM 1194 C PRO A 74 -10.906 3.353 8.925 1.00 0.31 C ATOM 1195 O PRO A 74 -11.984 3.935 9.036 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.231 1.260 8.484 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.325 0.025 9.309 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.506 0.293 10.538 1.00 0.38 C ATOM 0 HA PRO A 74 -10.125 1.643 7.985 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.016 1.970 8.746 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.345 1.035 7.423 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.361 -0.194 9.569 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -11.943 -0.839 8.765 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.098 0.762 11.324 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.092 -0.625 10.956 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.732 3.971 8.944 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.593 5.412 9.114 1.00 0.31 C ATOM 1208 C ASP A 75 -8.228 5.872 8.615 1.00 0.30 C ATOM 1209 O ASP A 75 -8.136 6.592 7.619 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.770 5.803 10.587 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.529 7.282 10.842 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.366 7.669 11.101 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.492 8.072 10.773 1.00 0.50 O ATOM 0 H ASP A 75 -8.842 3.483 8.841 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.370 5.902 8.528 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.779 5.545 10.907 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -9.082 5.218 11.198 1.00 0.34 H new ATOM 1218 N THR A 76 -7.164 5.443 9.292 1.00 0.28 N ATOM 1219 CA THR A 76 -5.814 5.848 8.915 1.00 0.29 C ATOM 1220 C THR A 76 -4.794 4.725 9.116 1.00 0.29 C ATOM 1221 O THR A 76 -4.890 3.938 10.058 1.00 0.35 O ATOM 1222 CB THR A 76 -5.366 7.094 9.708 1.00 0.32 C ATOM 1223 OG1 THR A 76 -5.828 7.014 11.064 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.889 8.367 9.059 1.00 0.35 C ATOM 0 H THR A 76 -7.211 4.820 10.098 1.00 0.28 H new ATOM 0 HA THR A 76 -5.851 6.088 7.852 1.00 0.29 H new ATOM 0 HB THR A 76 -4.276 7.124 9.703 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.664 7.517 11.155 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.560 9.231 9.636 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.504 8.442 8.042 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.978 8.341 9.033 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.824 4.645 8.210 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.745 3.666 8.316 1.00 0.31 C ATOM 1234 C LEU A 77 -1.409 4.342 8.061 1.00 0.33 C ATOM 1235 O LEU A 77 -1.202 4.929 7.006 1.00 0.41 O ATOM 1236 CB LEU A 77 -2.901 2.517 7.306 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.232 1.771 7.312 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.276 2.532 6.518 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -4.051 0.380 6.737 1.00 0.69 C ATOM 0 H LEU A 77 -3.763 5.249 7.390 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.789 3.253 9.324 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.742 2.920 6.306 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.106 1.794 7.488 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.577 1.688 8.343 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -6.217 1.983 6.535 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.423 3.517 6.960 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.939 2.643 5.487 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -5.007 -0.144 6.746 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.687 0.454 5.712 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.329 -0.172 7.339 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.509 4.266 9.020 1.00 0.32 N ATOM 1252 CA VAL A 78 0.834 4.790 8.835 1.00 0.36 C ATOM 1253 C VAL A 78 1.814 3.632 8.744 1.00 0.34 C ATOM 1254 O VAL A 78 2.096 2.978 9.740 1.00 0.36 O ATOM 1255 CB VAL A 78 1.260 5.734 9.983 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.634 6.329 9.706 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.230 6.833 10.191 1.00 0.67 C ATOM 0 H VAL A 78 -0.680 3.848 9.935 1.00 0.32 H new ATOM 0 HA VAL A 78 0.838 5.372 7.914 1.00 0.36 H new ATOM 0 HB VAL A 78 1.319 5.148 10.900 1.00 0.43 H new ATOM 0 HG11 VAL A 78 2.916 6.990 10.525 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.367 5.527 9.618 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.604 6.896 8.776 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.552 7.484 11.004 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.131 7.417 9.276 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.732 6.387 10.443 1.00 0.67 H new ATOM 1267 N ILE A 79 2.282 3.338 7.545 1.00 0.35 N ATOM 1268 CA ILE A 79 3.197 2.221 7.343 1.00 0.39 C ATOM 1269 C ILE A 79 4.428 2.655 6.536 1.00 0.40 C ATOM 1270 O ILE A 79 4.340 3.545 5.691 1.00 0.43 O ATOM 1271 CB ILE A 79 2.448 1.016 6.697 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.411 -0.098 6.238 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.557 1.485 5.555 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.816 -0.026 4.776 1.00 0.67 C ATOM 0 H ILE A 79 2.047 3.853 6.696 1.00 0.35 H new ATOM 0 HA ILE A 79 3.567 1.887 8.312 1.00 0.39 H new ATOM 0 HB ILE A 79 1.815 0.579 7.469 1.00 0.48 H new ATOM 0 HG12 ILE A 79 4.311 -0.057 6.852 1.00 0.75 H new ATOM 0 HG13 ILE A 79 2.942 -1.064 6.424 1.00 0.75 H new ATOM 0 HG21 ILE A 79 1.044 0.628 5.118 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.821 2.194 5.935 1.00 0.52 H new ATOM 0 HG23 ILE A 79 2.167 1.969 4.793 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.493 -0.848 4.545 1.00 0.67 H new ATOM 0 HD12 ILE A 79 2.928 -0.100 4.148 1.00 0.67 H new ATOM 0 HD13 ILE A 79 4.318 0.922 4.584 1.00 0.67 H new ATOM 1286 N GLY A 80 5.575 2.054 6.844 1.00 0.42 N ATOM 1287 CA GLY A 80 6.817 2.380 6.164 1.00 0.46 C ATOM 1288 C GLY A 80 7.158 1.387 5.067 1.00 0.46 C ATOM 1289 O GLY A 80 6.866 0.188 5.186 1.00 0.50 O ATOM 0 H GLY A 80 5.666 1.337 7.563 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.741 3.379 5.734 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.629 2.407 6.891 1.00 0.46 H new ATOM 1293 N TRP A 81 7.821 1.885 4.028 1.00 0.50 N ATOM 1294 CA TRP A 81 8.057 1.129 2.800 1.00 0.51 C ATOM 1295 C TRP A 81 9.179 0.098 2.958 1.00 0.53 C ATOM 1296 O TRP A 81 10.084 0.264 3.772 1.00 0.81 O ATOM 1297 CB TRP A 81 8.392 2.105 1.668 1.00 0.74 C ATOM 1298 CG TRP A 81 8.374 1.487 0.306 1.00 0.80 C ATOM 1299 CD1 TRP A 81 9.428 1.356 -0.550 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.244 0.910 -0.354 1.00 1.40 C ATOM 1301 NE1 TRP A 81 9.029 0.726 -1.701 1.00 0.88 N ATOM 1302 CE2 TRP A 81 7.683 0.449 -1.607 1.00 1.44 C ATOM 1303 CE3 TRP A 81 5.899 0.743 -0.005 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 6.823 -0.172 -2.511 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 5.051 0.127 -0.901 1.00 2.78 C ATOM 1306 CH2 TRP A 81 5.514 -0.323 -2.142 1.00 2.79 C ATOM 0 H TRP A 81 8.211 2.827 4.013 1.00 0.50 H new ATOM 0 HA TRP A 81 7.148 0.575 2.565 1.00 0.51 H new ATOM 0 HB2 TRP A 81 7.680 2.930 1.691 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.379 2.531 1.849 1.00 0.74 H new ATOM 0 HD1 TRP A 81 10.432 1.699 -0.350 1.00 0.74 H new ATOM 0 HE1 TRP A 81 9.629 0.500 -2.494 1.00 0.88 H new ATOM 0 HE3 TRP A 81 5.532 1.090 0.949 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 7.177 -0.522 -3.469 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 4.012 -0.010 -0.640 1.00 2.78 H new ATOM 0 HH2 TRP A 81 4.824 -0.799 -2.823 1.00 2.79 H new ATOM 1317 N ARG A 82 9.120 -0.951 2.136 1.00 0.54 N ATOM 1318 CA ARG A 82 10.054 -2.060 2.207 1.00 0.74 C ATOM 1319 C ARG A 82 10.160 -2.728 0.830 1.00 0.81 C ATOM 1320 O ARG A 82 10.556 -3.889 0.712 1.00 1.47 O ATOM 1321 CB ARG A 82 9.579 -3.062 3.268 1.00 1.06 C ATOM 1322 CG ARG A 82 8.595 -4.123 2.780 1.00 1.64 C ATOM 1323 CD ARG A 82 7.218 -3.585 2.401 1.00 2.68 C ATOM 1324 NE ARG A 82 6.275 -4.691 2.208 1.00 3.63 N ATOM 1325 CZ ARG A 82 5.321 -4.739 1.277 1.00 4.53 C ATOM 1326 NH1 ARG A 82 5.150 -3.733 0.427 1.00 4.80 N ATOM 1327 NH2 ARG A 82 4.557 -5.823 1.180 1.00 5.46 N ATOM 0 H ARG A 82 8.418 -1.049 1.402 1.00 0.54 H new ATOM 0 HA ARG A 82 11.042 -1.698 2.492 1.00 0.74 H new ATOM 0 HB2 ARG A 82 10.452 -3.565 3.683 1.00 1.06 H new ATOM 0 HB3 ARG A 82 9.113 -2.508 4.083 1.00 1.06 H new ATOM 0 HG2 ARG A 82 9.024 -4.628 1.914 1.00 1.64 H new ATOM 0 HG3 ARG A 82 8.475 -4.875 3.560 1.00 1.64 H new ATOM 0 HD2 ARG A 82 6.853 -2.919 3.183 1.00 2.68 H new ATOM 0 HD3 ARG A 82 7.289 -2.995 1.487 1.00 2.68 H new ATOM 0 HE ARG A 82 6.355 -5.490 2.838 1.00 3.63 H new ATOM 0 HH11 ARG A 82 5.752 -2.911 0.482 1.00 4.80 H new ATOM 0 HH12 ARG A 82 4.417 -3.782 -0.280 1.00 4.80 H new ATOM 0 HH21 ARG A 82 4.703 -6.608 1.814 1.00 5.46 H new ATOM 0 HH22 ARG A 82 3.825 -5.869 0.471 1.00 5.46 H new ATOM 1341 N LEU A 83 9.824 -1.946 -0.200 1.00 0.79 N ATOM 1342 CA LEU A 83 9.706 -2.419 -1.587 1.00 0.86 C ATOM 1343 C LEU A 83 8.363 -3.119 -1.786 1.00 0.81 C ATOM 1344 O LEU A 83 7.455 -2.972 -0.967 1.00 1.21 O ATOM 1345 CB LEU A 83 10.886 -3.320 -1.996 1.00 1.23 C ATOM 1346 CG LEU A 83 11.524 -3.005 -3.359 1.00 1.13 C ATOM 1347 CD1 LEU A 83 10.749 -3.616 -4.512 1.00 1.55 C ATOM 1348 CD2 LEU A 83 11.632 -1.505 -3.561 1.00 1.28 C ATOM 0 H LEU A 83 9.623 -0.952 -0.095 1.00 0.79 H new ATOM 0 HA LEU A 83 9.745 -1.551 -2.245 1.00 0.86 H new ATOM 0 HB2 LEU A 83 11.657 -3.248 -1.229 1.00 1.23 H new ATOM 0 HB3 LEU A 83 10.543 -4.354 -2.007 1.00 1.23 H new ATOM 0 HG LEU A 83 12.519 -3.449 -3.352 1.00 1.13 H new ATOM 0 HD11 LEU A 83 11.239 -3.366 -5.453 1.00 1.55 H new ATOM 0 HD12 LEU A 83 10.718 -4.699 -4.396 1.00 1.55 H new ATOM 0 HD13 LEU A 83 9.733 -3.223 -4.516 1.00 1.55 H new ATOM 0 HD21 LEU A 83 12.086 -1.300 -4.531 1.00 1.28 H new ATOM 0 HD22 LEU A 83 10.637 -1.060 -3.525 1.00 1.28 H new ATOM 0 HD23 LEU A 83 12.251 -1.075 -2.773 1.00 1.28 H new ATOM 1360 N ASN A 84 8.241 -3.862 -2.871 1.00 0.76 N ATOM 1361 CA ASN A 84 6.962 -4.404 -3.302 1.00 1.00 C ATOM 1362 C ASN A 84 7.123 -5.847 -3.770 1.00 1.25 C ATOM 1363 O ASN A 84 6.711 -6.773 -3.084 1.00 1.93 O ATOM 1364 CB ASN A 84 6.388 -3.522 -4.423 1.00 1.26 C ATOM 1365 CG ASN A 84 5.089 -4.039 -5.014 1.00 1.08 C ATOM 1366 OD1 ASN A 84 4.316 -4.731 -4.358 1.00 1.81 O ATOM 1367 ND2 ASN A 84 4.831 -3.673 -6.263 1.00 0.94 N ATOM 0 H ASN A 84 9.023 -4.107 -3.478 1.00 0.76 H new ATOM 0 HA ASN A 84 6.267 -4.404 -2.462 1.00 1.00 H new ATOM 0 HB2 ASN A 84 6.223 -2.518 -4.032 1.00 1.26 H new ATOM 0 HB3 ASN A 84 7.128 -3.437 -5.219 1.00 1.26 H new ATOM 0 HD21 ASN A 84 3.964 -3.967 -6.712 1.00 0.94 H new ATOM 0 HD22 ASN A 84 5.500 -3.097 -6.774 1.00 0.94 H new ATOM 1374 N GLY A 85 7.763 -6.038 -4.917 1.00 1.69 N ATOM 1375 CA GLY A 85 7.908 -7.374 -5.469 1.00 2.21 C ATOM 1376 C GLY A 85 8.903 -8.235 -4.709 1.00 1.96 C ATOM 1377 O GLY A 85 8.964 -9.447 -4.929 1.00 2.40 O ATOM 0 H GLY A 85 8.184 -5.295 -5.475 1.00 1.69 H new ATOM 0 HA2 GLY A 85 6.936 -7.867 -5.468 1.00 2.21 H new ATOM 0 HA3 GLY A 85 8.225 -7.297 -6.509 1.00 2.21 H new ATOM 1381 N PHE A 86 9.665 -7.604 -3.814 1.00 1.79 N ATOM 1382 CA PHE A 86 10.706 -8.281 -3.032 1.00 2.29 C ATOM 1383 C PHE A 86 11.902 -8.640 -3.910 1.00 2.14 C ATOM 1384 O PHE A 86 11.781 -9.370 -4.895 1.00 2.77 O ATOM 1385 CB PHE A 86 10.155 -9.530 -2.325 1.00 3.16 C ATOM 1386 CG PHE A 86 11.188 -10.303 -1.548 1.00 3.79 C ATOM 1387 CD1 PHE A 86 11.703 -9.806 -0.361 1.00 4.45 C ATOM 1388 CD2 PHE A 86 11.636 -11.533 -2.005 1.00 4.03 C ATOM 1389 CE1 PHE A 86 12.645 -10.521 0.355 1.00 5.26 C ATOM 1390 CE2 PHE A 86 12.579 -12.250 -1.295 1.00 4.80 C ATOM 1391 CZ PHE A 86 13.084 -11.744 -0.113 1.00 5.38 C ATOM 0 H PHE A 86 9.579 -6.608 -3.609 1.00 1.79 H new ATOM 0 HA PHE A 86 11.043 -7.586 -2.263 1.00 2.29 H new ATOM 0 HB2 PHE A 86 9.357 -9.228 -1.647 1.00 3.16 H new ATOM 0 HB3 PHE A 86 9.708 -10.189 -3.070 1.00 3.16 H new ATOM 0 HD1 PHE A 86 11.365 -8.849 0.009 1.00 4.45 H new ATOM 0 HD2 PHE A 86 11.243 -11.935 -2.927 1.00 4.03 H new ATOM 0 HE1 PHE A 86 13.037 -10.124 1.279 1.00 5.26 H new ATOM 0 HE2 PHE A 86 12.921 -13.206 -1.664 1.00 4.80 H new ATOM 0 HZ PHE A 86 13.821 -12.304 0.444 1.00 5.38 H new ATOM 1401 N GLY A 87 13.057 -8.117 -3.540 1.00 1.90 N ATOM 1402 CA GLY A 87 14.259 -8.336 -4.314 1.00 2.08 C ATOM 1403 C GLY A 87 15.001 -7.043 -4.553 1.00 1.87 C ATOM 1404 O GLY A 87 16.223 -7.027 -4.695 1.00 2.30 O ATOM 0 H GLY A 87 13.185 -7.539 -2.709 1.00 1.90 H new ATOM 0 HA2 GLY A 87 14.908 -9.039 -3.791 1.00 2.08 H new ATOM 0 HA3 GLY A 87 14.001 -8.791 -5.270 1.00 2.08 H new ATOM 1408 N ARG A 88 14.251 -5.950 -4.572 1.00 1.33 N ATOM 1409 CA ARG A 88 14.808 -4.640 -4.763 1.00 1.18 C ATOM 1410 C ARG A 88 15.083 -3.975 -3.418 1.00 1.09 C ATOM 1411 O ARG A 88 14.895 -4.582 -2.361 1.00 1.21 O ATOM 1412 CB ARG A 88 13.822 -3.799 -5.561 1.00 0.98 C ATOM 1413 CG ARG A 88 14.467 -2.728 -6.400 1.00 1.64 C ATOM 1414 CD ARG A 88 15.137 -3.334 -7.615 1.00 2.32 C ATOM 1415 NE ARG A 88 16.284 -4.169 -7.271 1.00 3.00 N ATOM 1416 CZ ARG A 88 16.593 -5.306 -7.891 1.00 3.96 C ATOM 1417 NH1 ARG A 88 15.871 -5.736 -8.922 1.00 4.44 N ATOM 1418 NH2 ARG A 88 17.639 -6.006 -7.480 1.00 4.77 N ATOM 0 H ARG A 88 13.238 -5.958 -4.454 1.00 1.33 H new ATOM 0 HA ARG A 88 15.751 -4.724 -5.303 1.00 1.18 H new ATOM 0 HB2 ARG A 88 13.243 -4.456 -6.211 1.00 0.98 H new ATOM 0 HB3 ARG A 88 13.118 -3.332 -4.872 1.00 0.98 H new ATOM 0 HG2 ARG A 88 13.716 -2.004 -6.716 1.00 1.64 H new ATOM 0 HG3 ARG A 88 15.202 -2.186 -5.805 1.00 1.64 H new ATOM 0 HD2 ARG A 88 14.410 -3.932 -8.165 1.00 2.32 H new ATOM 0 HD3 ARG A 88 15.462 -2.535 -8.281 1.00 2.32 H new ATOM 0 HE ARG A 88 16.887 -3.862 -6.508 1.00 3.00 H new ATOM 0 HH11 ARG A 88 15.071 -5.193 -9.246 1.00 4.44 H new ATOM 0 HH12 ARG A 88 16.118 -6.609 -9.389 1.00 4.44 H new ATOM 0 HH21 ARG A 88 18.199 -5.673 -6.695 1.00 4.77 H new ATOM 0 HH22 ARG A 88 17.885 -6.878 -7.948 1.00 4.77 H new ATOM 1432 N ILE A 89 15.522 -2.727 -3.477 1.00 1.08 N ATOM 1433 CA ILE A 89 15.995 -2.003 -2.309 1.00 1.08 C ATOM 1434 C ILE A 89 14.841 -1.633 -1.373 1.00 1.04 C ATOM 1435 O ILE A 89 13.823 -1.101 -1.798 1.00 1.15 O ATOM 1436 CB ILE A 89 16.783 -0.731 -2.752 1.00 1.29 C ATOM 1437 CG1 ILE A 89 15.869 0.485 -2.967 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.539 -1.015 -4.047 1.00 1.11 C ATOM 1439 CD1 ILE A 89 15.768 1.404 -1.763 1.00 1.70 C ATOM 0 H ILE A 89 15.560 -2.186 -4.341 1.00 1.08 H new ATOM 0 HA ILE A 89 16.667 -2.656 -1.752 1.00 1.08 H new ATOM 0 HB ILE A 89 17.475 -0.491 -1.945 1.00 1.29 H new ATOM 0 HG12 ILE A 89 16.238 1.058 -3.818 1.00 1.86 H new ATOM 0 HG13 ILE A 89 14.871 0.134 -3.228 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.087 -0.123 -4.351 1.00 1.11 H new ATOM 0 HG22 ILE A 89 18.239 -1.835 -3.887 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.831 -1.290 -4.829 1.00 1.11 H new ATOM 0 HD11 ILE A 89 15.105 2.237 -1.996 1.00 1.70 H new ATOM 0 HD12 ILE A 89 15.369 0.849 -0.914 1.00 1.70 H new ATOM 0 HD13 ILE A 89 16.758 1.787 -1.513 1.00 1.70 H new ATOM 1451 N ASP A 90 14.986 -1.941 -0.098 1.00 1.05 N ATOM 1452 CA ASP A 90 14.014 -1.492 0.886 1.00 1.15 C ATOM 1453 C ASP A 90 14.537 -0.268 1.603 1.00 1.01 C ATOM 1454 O ASP A 90 15.608 -0.289 2.210 1.00 1.14 O ATOM 1455 CB ASP A 90 13.664 -2.579 1.908 1.00 1.54 C ATOM 1456 CG ASP A 90 14.880 -3.266 2.511 1.00 2.36 C ATOM 1457 OD1 ASP A 90 15.197 -3.001 3.689 1.00 2.64 O ATOM 1458 OD2 ASP A 90 15.525 -4.081 1.812 1.00 3.18 O ATOM 0 H ASP A 90 15.756 -2.493 0.279 1.00 1.05 H new ATOM 0 HA ASP A 90 13.099 -1.249 0.345 1.00 1.15 H new ATOM 0 HB2 ASP A 90 13.074 -2.135 2.710 1.00 1.54 H new ATOM 0 HB3 ASP A 90 13.036 -3.329 1.427 1.00 1.54 H new ATOM 1463 N PRO A 91 13.797 0.830 1.519 1.00 1.32 N ATOM 1464 CA PRO A 91 14.140 2.070 2.183 1.00 1.52 C ATOM 1465 C PRO A 91 13.662 2.081 3.631 1.00 1.24 C ATOM 1466 O PRO A 91 13.232 3.119 4.136 1.00 1.58 O ATOM 1467 CB PRO A 91 13.409 3.137 1.355 1.00 2.16 C ATOM 1468 CG PRO A 91 12.621 2.402 0.313 1.00 2.36 C ATOM 1469 CD PRO A 91 12.566 0.967 0.749 1.00 1.92 C ATOM 0 HA PRO A 91 15.217 2.232 2.234 1.00 1.52 H new ATOM 0 HB2 PRO A 91 12.753 3.736 1.987 1.00 2.16 H new ATOM 0 HB3 PRO A 91 14.119 3.823 0.892 1.00 2.16 H new ATOM 0 HG2 PRO A 91 11.618 2.818 0.221 1.00 2.36 H new ATOM 0 HG3 PRO A 91 13.094 2.492 -0.665 1.00 2.36 H new ATOM 0 HD2 PRO A 91 11.683 0.759 1.353 1.00 1.92 H new ATOM 0 HD3 PRO A 91 12.539 0.284 -0.100 1.00 1.92 H new ATOM 1477 N ASP A 92 13.735 0.912 4.278 1.00 1.06 N ATOM 1478 CA ASP A 92 13.412 0.764 5.700 1.00 1.34 C ATOM 1479 C ASP A 92 14.293 1.660 6.574 1.00 1.18 C ATOM 1480 O ASP A 92 15.273 1.218 7.177 1.00 1.61 O ATOM 1481 CB ASP A 92 13.546 -0.706 6.126 1.00 1.93 C ATOM 1482 CG ASP A 92 13.448 -0.909 7.631 1.00 2.60 C ATOM 1483 OD1 ASP A 92 12.501 -0.392 8.253 1.00 2.98 O ATOM 1484 OD2 ASP A 92 14.326 -1.592 8.200 1.00 2.99 O ATOM 0 H ASP A 92 14.020 0.042 3.829 1.00 1.06 H new ATOM 0 HA ASP A 92 12.379 1.080 5.843 1.00 1.34 H new ATOM 0 HB2 ASP A 92 12.768 -1.291 5.636 1.00 1.93 H new ATOM 0 HB3 ASP A 92 14.503 -1.092 5.776 1.00 1.93 H new ATOM 1489 N ASN A 93 13.962 2.937 6.577 1.00 1.06 N ATOM 1490 CA ASN A 93 14.584 3.917 7.441 1.00 1.26 C ATOM 1491 C ASN A 93 13.516 4.896 7.854 1.00 1.04 C ATOM 1492 O ASN A 93 13.373 5.253 9.021 1.00 1.49 O ATOM 1493 CB ASN A 93 15.704 4.666 6.718 1.00 1.65 C ATOM 1494 CG ASN A 93 16.965 3.843 6.550 1.00 2.22 C ATOM 1495 OD1 ASN A 93 17.857 3.886 7.393 1.00 3.06 O ATOM 1496 ND2 ASN A 93 17.055 3.098 5.461 1.00 2.21 N ATOM 0 H ASN A 93 13.242 3.327 5.969 1.00 1.06 H new ATOM 0 HA ASN A 93 15.024 3.416 8.303 1.00 1.26 H new ATOM 0 HB2 ASN A 93 15.348 4.977 5.736 1.00 1.65 H new ATOM 0 HB3 ASN A 93 15.942 5.573 7.273 1.00 1.65 H new ATOM 0 HD21 ASN A 93 17.888 2.532 5.298 1.00 2.21 H new ATOM 0 HD22 ASN A 93 16.292 3.090 4.784 1.00 2.21 H new ATOM 1503 N SER A 94 12.775 5.330 6.851 1.00 0.68 N ATOM 1504 CA SER A 94 11.579 6.107 7.047 1.00 0.77 C ATOM 1505 C SER A 94 10.507 5.578 6.100 1.00 0.72 C ATOM 1506 O SER A 94 9.850 4.584 6.404 1.00 1.22 O ATOM 1507 CB SER A 94 11.850 7.596 6.801 1.00 1.19 C ATOM 1508 OG SER A 94 12.876 8.080 7.653 1.00 1.85 O ATOM 0 H SER A 94 12.994 5.148 5.871 1.00 0.68 H new ATOM 0 HA SER A 94 11.237 6.012 8.078 1.00 0.77 H new ATOM 0 HB2 SER A 94 12.136 7.749 5.760 1.00 1.19 H new ATOM 0 HB3 SER A 94 10.936 8.167 6.968 1.00 1.19 H new ATOM 0 HG SER A 94 13.029 9.031 7.473 1.00 1.85 H new ATOM 1514 N SER A 95 10.379 6.214 4.932 1.00 0.60 N ATOM 1515 CA SER A 95 9.439 5.793 3.892 1.00 0.67 C ATOM 1516 C SER A 95 8.032 5.551 4.441 1.00 0.70 C ATOM 1517 O SER A 95 7.233 4.829 3.845 1.00 1.27 O ATOM 1518 CB SER A 95 9.974 4.552 3.191 1.00 0.93 C ATOM 1519 OG SER A 95 11.209 4.838 2.563 1.00 1.44 O ATOM 0 H SER A 95 10.926 7.037 4.681 1.00 0.60 H new ATOM 0 HA SER A 95 9.352 6.605 3.171 1.00 0.67 H new ATOM 0 HB2 SER A 95 10.103 3.745 3.913 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.253 4.205 2.451 1.00 0.93 H new ATOM 0 HG SER A 95 11.101 4.785 1.590 1.00 1.44 H new ATOM 1525 N GLU A 96 7.737 6.189 5.561 1.00 0.48 N ATOM 1526 CA GLU A 96 6.440 6.092 6.192 1.00 0.45 C ATOM 1527 C GLU A 96 5.432 6.917 5.414 1.00 0.45 C ATOM 1528 O GLU A 96 5.750 8.008 4.935 1.00 0.60 O ATOM 1529 CB GLU A 96 6.524 6.594 7.635 1.00 0.56 C ATOM 1530 CG GLU A 96 7.550 5.854 8.473 1.00 1.11 C ATOM 1531 CD GLU A 96 7.770 6.498 9.826 1.00 1.30 C ATOM 1532 OE1 GLU A 96 8.791 7.191 10.000 1.00 1.81 O ATOM 1533 OE2 GLU A 96 6.922 6.314 10.723 1.00 1.33 O ATOM 0 H GLU A 96 8.395 6.790 6.057 1.00 0.48 H new ATOM 0 HA GLU A 96 6.121 5.050 6.199 1.00 0.45 H new ATOM 0 HB2 GLU A 96 6.769 7.656 7.628 1.00 0.56 H new ATOM 0 HB3 GLU A 96 5.545 6.496 8.103 1.00 0.56 H new ATOM 0 HG2 GLU A 96 7.224 4.824 8.614 1.00 1.11 H new ATOM 0 HG3 GLU A 96 8.497 5.818 7.934 1.00 1.11 H new ATOM 1540 N PHE A 97 4.241 6.382 5.252 1.00 0.39 N ATOM 1541 CA PHE A 97 3.165 7.118 4.620 1.00 0.40 C ATOM 1542 C PHE A 97 1.889 6.992 5.427 1.00 0.41 C ATOM 1543 O PHE A 97 1.512 5.899 5.860 1.00 0.53 O ATOM 1544 CB PHE A 97 2.946 6.674 3.164 1.00 0.51 C ATOM 1545 CG PHE A 97 3.010 5.189 2.926 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.227 4.535 2.792 1.00 0.46 C ATOM 1547 CD2 PHE A 97 1.844 4.447 2.863 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.270 3.168 2.596 1.00 0.53 C ATOM 1549 CE2 PHE A 97 1.879 3.086 2.664 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.161 2.458 2.447 1.00 0.63 C ATOM 0 H PHE A 97 3.992 5.439 5.549 1.00 0.39 H new ATOM 0 HA PHE A 97 3.454 8.169 4.594 1.00 0.40 H new ATOM 0 HB2 PHE A 97 1.972 7.036 2.834 1.00 0.51 H new ATOM 0 HB3 PHE A 97 3.695 7.158 2.538 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.147 5.099 2.841 1.00 0.46 H new ATOM 0 HD2 PHE A 97 0.891 4.944 2.972 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.227 2.668 2.564 1.00 0.53 H new ATOM 0 HE2 PHE A 97 0.970 2.502 2.670 1.00 0.64 H new ATOM 0 HZ PHE A 97 3.216 1.417 2.165 1.00 0.63 H new ATOM 1560 N THR A 98 1.258 8.129 5.657 1.00 0.35 N ATOM 1561 CA THR A 98 0.016 8.185 6.388 1.00 0.36 C ATOM 1562 C THR A 98 -1.156 8.084 5.426 1.00 0.33 C ATOM 1563 O THR A 98 -1.425 9.004 4.653 1.00 0.36 O ATOM 1564 CB THR A 98 -0.091 9.493 7.193 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.093 9.670 7.980 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.317 9.481 8.098 1.00 0.40 C ATOM 0 H THR A 98 1.597 9.037 5.340 1.00 0.35 H new ATOM 0 HA THR A 98 -0.007 7.346 7.084 1.00 0.36 H new ATOM 0 HB THR A 98 -0.194 10.322 6.493 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.025 10.504 8.491 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.368 10.417 8.655 1.00 0.40 H new ATOM 0 HG22 THR A 98 -2.216 9.371 7.491 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.246 8.647 8.796 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.825 6.951 5.457 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.999 6.745 4.643 1.00 0.35 C ATOM 1576 C VAL A 99 -4.198 7.376 5.323 1.00 0.31 C ATOM 1577 O VAL A 99 -4.668 6.883 6.346 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.260 5.235 4.422 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.547 5.008 3.651 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -2.094 4.583 3.695 1.00 0.87 C ATOM 0 H VAL A 99 -1.572 6.155 6.042 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.836 7.210 3.671 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.361 4.773 5.404 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.704 3.938 3.511 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.384 5.427 4.209 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.479 5.495 2.678 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.302 3.523 3.552 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.958 5.060 2.725 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -1.186 4.698 4.287 1.00 0.87 H new ATOM 1590 N THR A 100 -4.678 8.474 4.763 1.00 0.31 N ATOM 1591 CA THR A 100 -5.823 9.160 5.320 1.00 0.30 C ATOM 1592 C THR A 100 -7.073 8.831 4.520 1.00 0.26 C ATOM 1593 O THR A 100 -7.244 9.305 3.400 1.00 0.28 O ATOM 1594 CB THR A 100 -5.609 10.685 5.327 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.331 10.994 5.901 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.710 11.382 6.114 1.00 0.36 C ATOM 0 H THR A 100 -4.290 8.906 3.924 1.00 0.31 H new ATOM 0 HA THR A 100 -5.946 8.820 6.348 1.00 0.30 H new ATOM 0 HB THR A 100 -5.641 11.043 4.298 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.199 11.965 5.902 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.538 12.458 6.105 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.676 11.165 5.658 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.705 11.022 7.143 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.932 8.001 5.087 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.189 7.667 4.447 1.00 0.24 C ATOM 1606 C PHE A 101 -10.275 8.643 4.880 1.00 0.25 C ATOM 1607 O PHE A 101 -10.681 8.657 6.044 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.616 6.238 4.793 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.871 5.160 4.060 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.912 5.088 2.677 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.155 4.200 4.755 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.250 4.082 2.001 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.488 3.193 4.083 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.536 3.134 2.704 1.00 0.29 C ATOM 0 H PHE A 101 -7.781 7.548 5.988 1.00 0.25 H new ATOM 0 HA PHE A 101 -9.048 7.737 3.369 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.486 6.085 5.864 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.680 6.131 4.583 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.469 5.828 2.121 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -8.117 4.238 5.834 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.291 4.038 0.923 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.929 2.452 4.636 1.00 0.31 H new ATOM 0 HZ PHE A 101 -7.016 2.348 2.177 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.731 9.464 3.949 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.803 10.401 4.229 1.00 0.31 C ATOM 1626 C VAL A 102 -13.130 9.804 3.788 1.00 0.30 C ATOM 1627 O VAL A 102 -13.411 9.706 2.591 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.583 11.754 3.519 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.680 12.743 3.884 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -10.213 12.319 3.861 1.00 0.54 C ATOM 0 H VAL A 102 -10.375 9.500 2.994 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.813 10.585 5.303 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.626 11.585 2.443 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.503 13.688 3.371 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.647 12.342 3.581 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.677 12.908 4.961 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -10.075 13.273 3.352 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -10.140 12.469 4.938 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.441 11.621 3.539 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.931 9.395 4.761 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.204 8.753 4.484 1.00 0.35 C ATOM 1642 C ALA A 103 -16.237 9.775 4.035 1.00 0.39 C ATOM 1643 O ALA A 103 -16.497 10.762 4.727 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.693 7.995 5.707 1.00 0.44 C ATOM 0 H ALA A 103 -13.719 9.498 5.753 1.00 0.31 H new ATOM 0 HA ALA A 103 -15.060 8.040 3.672 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.648 7.520 5.483 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.963 7.232 5.978 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.819 8.688 6.538 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.822 9.530 2.879 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.776 10.447 2.293 1.00 0.57 C ATOM 1652 C ASP A 104 -19.141 9.792 2.203 1.00 0.64 C ATOM 1653 O ASP A 104 -19.328 8.815 1.470 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.319 10.885 0.904 1.00 0.58 C ATOM 1655 CG ASP A 104 -18.277 11.877 0.280 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -18.218 13.073 0.631 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -19.097 11.466 -0.567 1.00 2.03 O ATOM 0 H ASP A 104 -16.649 8.693 2.322 1.00 0.48 H new ATOM 0 HA ASP A 104 -17.842 11.328 2.932 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -16.327 11.332 0.973 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.231 10.011 0.259 1.00 0.58 H new ATOM 1662 N GLY A 105 -20.087 10.329 2.954 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.413 9.764 2.980 1.00 0.83 C ATOM 1664 C GLY A 105 -21.421 8.387 3.605 1.00 1.06 C ATOM 1665 O GLY A 105 -21.127 8.230 4.793 1.00 1.97 O ATOM 0 H GLY A 105 -19.958 11.149 3.547 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -22.078 10.422 3.540 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.804 9.705 1.964 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.744 7.387 2.804 1.00 1.24 N ATOM 1670 CA GLN A 106 -21.765 6.012 3.273 1.00 2.07 C ATOM 1671 C GLN A 106 -21.348 5.063 2.148 1.00 1.73 C ATOM 1672 O GLN A 106 -21.517 3.849 2.244 1.00 2.51 O ATOM 1673 CB GLN A 106 -23.169 5.675 3.789 1.00 2.98 C ATOM 1674 CG GLN A 106 -23.276 4.335 4.503 1.00 3.83 C ATOM 1675 CD GLN A 106 -24.664 4.090 5.055 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -25.533 3.560 4.365 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -24.882 4.468 6.303 1.00 4.93 N ATOM 0 H GLN A 106 -21.996 7.502 1.822 1.00 1.24 H new ATOM 0 HA GLN A 106 -21.053 5.892 4.090 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -23.490 6.462 4.471 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -23.862 5.680 2.948 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -23.016 3.535 3.810 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -22.552 4.300 5.317 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -24.134 4.904 6.842 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -25.798 4.323 6.727 1.00 4.93 H new ATOM 1686 N LYS A 107 -20.786 5.624 1.078 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.380 4.809 -0.063 1.00 0.48 C ATOM 1688 C LYS A 107 -19.117 5.330 -0.749 1.00 0.38 C ATOM 1689 O LYS A 107 -18.599 4.685 -1.654 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.511 4.710 -1.090 1.00 0.72 C ATOM 1691 CG LYS A 107 -21.955 6.047 -1.656 1.00 1.55 C ATOM 1692 CD LYS A 107 -22.926 5.862 -2.810 1.00 2.23 C ATOM 1693 CE LYS A 107 -23.442 7.195 -3.324 1.00 2.95 C ATOM 1694 NZ LYS A 107 -24.307 7.877 -2.328 1.00 3.53 N ATOM 0 H LYS A 107 -20.604 6.623 0.978 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.154 3.821 0.337 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.187 4.070 -1.911 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -22.368 4.222 -0.625 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -22.428 6.638 -0.871 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -21.084 6.608 -1.997 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -22.432 5.325 -3.620 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -23.765 5.247 -2.485 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -22.598 7.839 -3.573 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -24.004 7.036 -4.244 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -24.799 8.673 -2.782 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -25.007 7.203 -1.957 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -23.721 8.233 -1.546 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.607 6.481 -0.337 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.409 7.016 -0.968 1.00 0.29 C ATOM 1710 C LYS A 108 -16.328 7.248 0.068 1.00 0.27 C ATOM 1711 O LYS A 108 -16.617 7.427 1.248 1.00 0.28 O ATOM 1712 CB LYS A 108 -17.706 8.327 -1.702 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.725 8.615 -2.831 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.024 9.934 -3.528 1.00 1.09 C ATOM 1715 CE LYS A 108 -16.699 11.126 -2.644 1.00 1.62 C ATOM 1716 NZ LYS A 108 -16.991 12.419 -3.315 1.00 2.44 N ATOM 0 H LYS A 108 -18.993 7.052 0.415 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.063 6.283 -1.697 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.717 8.288 -2.108 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -17.681 9.150 -0.988 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -15.711 8.638 -2.432 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.763 7.804 -3.559 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -16.446 9.997 -4.450 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -18.077 9.966 -3.809 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -17.275 11.059 -1.721 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -15.646 11.093 -2.365 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -16.754 13.204 -2.675 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -16.423 12.496 -4.182 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -18.001 12.464 -3.558 1.00 2.44 H new ATOM 1730 N THR A 109 -15.080 7.212 -0.369 1.00 0.26 N ATOM 1731 CA THR A 109 -13.953 7.505 0.499 1.00 0.25 C ATOM 1732 C THR A 109 -12.737 7.932 -0.312 1.00 0.26 C ATOM 1733 O THR A 109 -12.187 7.155 -1.091 1.00 0.35 O ATOM 1734 CB THR A 109 -13.585 6.293 1.383 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.652 6.026 2.296 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.302 6.545 2.161 1.00 0.42 C ATOM 0 H THR A 109 -14.821 6.981 -1.328 1.00 0.26 H new ATOM 0 HA THR A 109 -14.256 8.326 1.148 1.00 0.25 H new ATOM 0 HB THR A 109 -13.426 5.433 0.732 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.392 6.644 2.124 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.071 5.673 2.773 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.484 6.727 1.464 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.431 7.416 2.804 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.342 9.179 -0.142 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.124 9.682 -0.746 1.00 0.27 C ATOM 1746 C ARG A 110 -9.951 9.429 0.185 1.00 0.26 C ATOM 1747 O ARG A 110 -9.945 9.900 1.322 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.249 11.181 -1.033 1.00 0.35 C ATOM 1749 CG ARG A 110 -9.926 11.858 -1.367 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.333 11.351 -2.672 1.00 0.62 C ATOM 1751 NE ARG A 110 -10.073 11.830 -3.837 1.00 1.27 N ATOM 1752 CZ ARG A 110 -9.503 12.427 -4.887 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -8.192 12.632 -4.913 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -10.250 12.828 -5.908 1.00 2.59 N ATOM 0 H ARG A 110 -12.851 9.866 0.414 1.00 0.25 H new ATOM 0 HA ARG A 110 -10.957 9.161 -1.689 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -11.940 11.326 -1.864 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.688 11.672 -0.164 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.078 12.935 -1.434 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.217 11.686 -0.557 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -8.294 11.672 -2.746 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -9.330 10.261 -2.669 1.00 0.62 H new ATOM 0 HE ARG A 110 -11.085 11.701 -3.849 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -7.613 12.333 -4.128 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -7.763 13.088 -5.718 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -11.259 12.680 -5.891 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -9.815 13.284 -6.710 1.00 2.59 H new ATOM 1768 N VAL A 111 -8.972 8.673 -0.278 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.771 8.475 0.505 1.00 0.27 C ATOM 1770 C VAL A 111 -6.704 9.453 0.055 1.00 0.29 C ATOM 1771 O VAL A 111 -6.459 9.614 -1.143 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.213 7.040 0.402 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.845 6.707 -1.025 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.001 6.875 1.299 1.00 0.33 C ATOM 0 H VAL A 111 -8.985 8.194 -1.178 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.042 8.645 1.547 1.00 0.27 H new ATOM 0 HB VAL A 111 -7.993 6.352 0.730 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.454 5.691 -1.072 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.730 6.785 -1.657 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.085 7.405 -1.377 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.621 5.857 1.213 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.226 7.579 0.996 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.284 7.071 2.333 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.090 10.110 1.009 1.00 0.31 N ATOM 1785 CA ASP A 112 -4.997 11.003 0.715 1.00 0.37 C ATOM 1786 C ASP A 112 -3.807 10.609 1.572 1.00 0.37 C ATOM 1787 O ASP A 112 -3.827 10.737 2.798 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.412 12.452 0.956 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.631 13.429 0.098 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.789 14.171 0.656 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.828 13.444 -1.133 1.00 1.38 O ATOM 0 H ASP A 112 -6.330 10.042 1.998 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.718 10.923 -0.336 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.476 12.561 0.748 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.265 12.699 2.008 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.807 10.059 0.917 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.637 9.533 1.593 1.00 0.41 C ATOM 1798 C VAL A 113 -0.500 10.522 1.553 1.00 0.43 C ATOM 1799 O VAL A 113 -0.037 10.888 0.480 1.00 0.47 O ATOM 1800 CB VAL A 113 -1.172 8.219 0.933 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.241 7.844 1.365 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -2.137 7.103 1.263 1.00 0.77 C ATOM 0 H VAL A 113 -2.781 9.963 -0.098 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.917 9.345 2.630 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.157 8.372 -0.146 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.535 6.913 0.880 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.932 8.637 1.077 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.268 7.714 2.447 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.800 6.179 0.792 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -2.179 6.966 2.343 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -3.129 7.358 0.891 1.00 0.77 H new ATOM 1812 N GLU A 114 -0.037 10.928 2.716 1.00 0.47 N ATOM 1813 CA GLU A 114 1.154 11.736 2.792 1.00 0.55 C ATOM 1814 C GLU A 114 2.321 10.873 3.213 1.00 0.60 C ATOM 1815 O GLU A 114 2.321 10.262 4.282 1.00 0.62 O ATOM 1816 CB GLU A 114 1.000 12.894 3.758 1.00 0.67 C ATOM 1817 CG GLU A 114 2.218 13.803 3.769 1.00 1.31 C ATOM 1818 CD GLU A 114 2.030 15.044 4.611 1.00 1.75 C ATOM 1819 OE1 GLU A 114 2.195 14.959 5.848 1.00 2.31 O ATOM 1820 OE2 GLU A 114 1.707 16.107 4.044 1.00 2.05 O ATOM 0 H GLU A 114 -0.467 10.712 3.615 1.00 0.47 H new ATOM 0 HA GLU A 114 1.333 12.157 1.803 1.00 0.55 H new ATOM 0 HB2 GLU A 114 0.118 13.475 3.487 1.00 0.67 H new ATOM 0 HB3 GLU A 114 0.830 12.506 4.762 1.00 0.67 H new ATOM 0 HG2 GLU A 114 3.076 13.245 4.144 1.00 1.31 H new ATOM 0 HG3 GLU A 114 2.452 14.098 2.746 1.00 1.31 H new ATOM 1827 N HIS A 115 3.294 10.816 2.347 1.00 0.70 N ATOM 1828 CA HIS A 115 4.480 10.026 2.553 1.00 0.80 C ATOM 1829 C HIS A 115 5.613 10.937 2.965 1.00 0.89 C ATOM 1830 O HIS A 115 5.626 12.118 2.616 1.00 1.17 O ATOM 1831 CB HIS A 115 4.812 9.337 1.241 1.00 0.92 C ATOM 1832 CG HIS A 115 5.904 8.312 1.268 1.00 0.87 C ATOM 1833 ND1 HIS A 115 5.669 6.958 1.264 1.00 1.59 N ATOM 1834 CD2 HIS A 115 7.243 8.455 1.187 1.00 1.36 C ATOM 1835 CE1 HIS A 115 6.818 6.316 1.176 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.793 7.203 1.126 1.00 1.47 N ATOM 0 H HIS A 115 3.287 11.325 1.463 1.00 0.70 H new ATOM 0 HA HIS A 115 4.326 9.283 3.335 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.906 8.857 0.872 1.00 0.92 H new ATOM 0 HB3 HIS A 115 5.085 10.103 0.516 1.00 0.92 H new ATOM 0 HD2 HIS A 115 7.784 9.390 1.173 1.00 1.36 H new ATOM 0 HE1 HIS A 115 6.940 5.243 1.149 1.00 1.64 H new ATOM 0 HE2 HIS A 115 8.788 6.992 1.054 1.00 1.47 H new ATOM 1845 N THR A 116 6.546 10.389 3.711 1.00 0.90 N ATOM 1846 CA THR A 116 7.751 11.104 4.077 1.00 1.08 C ATOM 1847 C THR A 116 8.487 11.640 2.842 1.00 0.83 C ATOM 1848 O THR A 116 8.200 11.280 1.697 1.00 1.67 O ATOM 1849 CB THR A 116 8.707 10.181 4.848 1.00 1.92 C ATOM 1850 OG1 THR A 116 9.850 10.908 5.317 1.00 2.67 O ATOM 1851 CG2 THR A 116 9.157 9.056 3.939 1.00 2.51 C ATOM 0 H THR A 116 6.493 9.440 4.080 1.00 0.90 H new ATOM 0 HA THR A 116 7.447 11.943 4.703 1.00 1.08 H new ATOM 0 HB THR A 116 8.181 9.774 5.711 1.00 1.92 H new ATOM 0 HG1 THR A 116 10.445 10.302 5.807 1.00 2.67 H new ATOM 0 HG21 THR A 116 9.836 8.399 4.482 1.00 2.51 H new ATOM 0 HG22 THR A 116 8.289 8.487 3.607 1.00 2.51 H new ATOM 0 HG23 THR A 116 9.671 9.472 3.072 1.00 2.51 H new ATOM 1859 N HIS A 117 9.461 12.469 3.109 1.00 0.72 N ATOM 1860 CA HIS A 117 10.295 13.073 2.087 1.00 1.13 C ATOM 1861 C HIS A 117 11.569 12.255 1.860 1.00 0.90 C ATOM 1862 O HIS A 117 12.520 12.739 1.253 1.00 0.97 O ATOM 1863 CB HIS A 117 10.654 14.504 2.500 1.00 1.98 C ATOM 1864 CG HIS A 117 11.315 14.593 3.844 1.00 2.07 C ATOM 1865 ND1 HIS A 117 10.623 14.829 5.014 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.611 14.454 4.201 1.00 2.33 C ATOM 1867 CE1 HIS A 117 11.466 14.833 6.028 1.00 2.60 C ATOM 1868 NE2 HIS A 117 12.680 14.604 5.563 1.00 2.63 N ATOM 0 H HIS A 117 9.707 12.753 4.057 1.00 0.72 H new ATOM 0 HA HIS A 117 9.737 13.092 1.151 1.00 1.13 H new ATOM 0 HB2 HIS A 117 11.317 14.935 1.749 1.00 1.98 H new ATOM 0 HB3 HIS A 117 9.747 15.109 2.509 1.00 1.98 H new ATOM 0 HD2 HIS A 117 13.440 14.260 3.536 1.00 2.33 H new ATOM 0 HE1 HIS A 117 11.207 14.996 7.064 1.00 2.60 H new ATOM 0 HE2 HIS A 117 13.530 14.548 6.124 1.00 2.63 H new ATOM 1877 N PHE A 118 11.591 11.020 2.358 1.00 0.76 N ATOM 1878 CA PHE A 118 12.734 10.133 2.131 1.00 0.76 C ATOM 1879 C PHE A 118 12.888 9.846 0.635 1.00 0.65 C ATOM 1880 O PHE A 118 14.001 9.712 0.125 1.00 0.74 O ATOM 1881 CB PHE A 118 12.580 8.813 2.910 1.00 0.97 C ATOM 1882 CG PHE A 118 13.837 7.992 2.952 1.00 1.74 C ATOM 1883 CD1 PHE A 118 15.033 8.545 3.377 1.00 2.35 C ATOM 1884 CD2 PHE A 118 13.819 6.660 2.563 1.00 2.32 C ATOM 1885 CE1 PHE A 118 16.187 7.784 3.415 1.00 3.18 C ATOM 1886 CE2 PHE A 118 14.969 5.896 2.597 1.00 3.21 C ATOM 1887 CZ PHE A 118 16.172 6.485 3.030 1.00 3.54 C ATOM 0 H PHE A 118 10.840 10.613 2.915 1.00 0.76 H new ATOM 0 HA PHE A 118 13.630 10.637 2.494 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.267 9.037 3.930 1.00 0.97 H new ATOM 0 HB3 PHE A 118 11.785 8.222 2.455 1.00 0.97 H new ATOM 0 HD1 PHE A 118 15.065 9.581 3.682 1.00 2.35 H new ATOM 0 HD2 PHE A 118 12.893 6.215 2.229 1.00 2.32 H new ATOM 0 HE1 PHE A 118 17.110 8.230 3.755 1.00 3.18 H new ATOM 0 HE2 PHE A 118 14.946 4.859 2.295 1.00 3.21 H new ATOM 0 HZ PHE A 118 17.081 5.903 3.055 1.00 3.54 H new ATOM 1897 N ASP A 119 11.759 9.778 -0.064 1.00 0.66 N ATOM 1898 CA ASP A 119 11.750 9.549 -1.502 1.00 0.75 C ATOM 1899 C ASP A 119 12.152 10.832 -2.214 1.00 0.74 C ATOM 1900 O ASP A 119 12.773 10.806 -3.277 1.00 0.83 O ATOM 1901 CB ASP A 119 10.353 9.111 -1.964 1.00 0.94 C ATOM 1902 CG ASP A 119 9.871 7.823 -1.309 1.00 1.34 C ATOM 1903 OD1 ASP A 119 9.323 6.960 -2.020 1.00 1.75 O ATOM 1904 OD2 ASP A 119 10.011 7.683 -0.071 1.00 1.81 O ATOM 0 H ASP A 119 10.832 9.879 0.348 1.00 0.66 H new ATOM 0 HA ASP A 119 12.458 8.757 -1.744 1.00 0.75 H new ATOM 0 HB2 ASP A 119 9.641 9.908 -1.747 1.00 0.94 H new ATOM 0 HB3 ASP A 119 10.362 8.977 -3.046 1.00 0.94 H new ATOM 1909 N ARG A 120 11.814 11.955 -1.581 1.00 0.76 N ATOM 1910 CA ARG A 120 12.098 13.287 -2.110 1.00 0.89 C ATOM 1911 C ARG A 120 13.594 13.504 -2.295 1.00 0.83 C ATOM 1912 O ARG A 120 14.012 14.387 -3.044 1.00 1.00 O ATOM 1913 CB ARG A 120 11.547 14.366 -1.178 1.00 1.07 C ATOM 1914 CG ARG A 120 11.694 15.771 -1.733 1.00 1.50 C ATOM 1915 CD ARG A 120 11.336 16.825 -0.705 1.00 1.71 C ATOM 1916 NE ARG A 120 11.100 18.126 -1.330 1.00 2.15 N ATOM 1917 CZ ARG A 120 10.897 19.250 -0.653 1.00 2.66 C ATOM 1918 NH1 ARG A 120 10.973 19.250 0.671 1.00 2.90 N ATOM 1919 NH2 ARG A 120 10.630 20.377 -1.302 1.00 3.38 N ATOM 0 H ARG A 120 11.333 11.965 -0.682 1.00 0.76 H new ATOM 0 HA ARG A 120 11.610 13.359 -3.082 1.00 0.89 H new ATOM 0 HB2 ARG A 120 10.493 14.167 -0.986 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.062 14.306 -0.219 1.00 1.07 H new ATOM 0 HG2 ARG A 120 12.720 15.924 -2.067 1.00 1.50 H new ATOM 0 HG3 ARG A 120 11.054 15.885 -2.608 1.00 1.50 H new ATOM 0 HD2 ARG A 120 10.444 16.515 -0.160 1.00 1.71 H new ATOM 0 HD3 ARG A 120 12.141 16.911 0.024 1.00 1.71 H new ATOM 0 HE ARG A 120 11.091 18.173 -2.349 1.00 2.15 H new ATOM 0 HH11 ARG A 120 11.187 18.386 1.170 1.00 2.90 H new ATOM 0 HH12 ARG A 120 10.817 20.114 1.191 1.00 2.90 H new ATOM 0 HH21 ARG A 120 10.581 20.379 -2.321 1.00 3.38 H new ATOM 0 HH22 ARG A 120 10.474 21.240 -0.782 1.00 3.38 H new ATOM 1933 N MET A 121 14.398 12.699 -1.609 1.00 0.73 N ATOM 1934 CA MET A 121 15.849 12.813 -1.704 1.00 0.91 C ATOM 1935 C MET A 121 16.307 12.563 -3.141 1.00 1.12 C ATOM 1936 O MET A 121 17.446 12.873 -3.500 1.00 1.41 O ATOM 1937 CB MET A 121 16.533 11.825 -0.756 1.00 1.05 C ATOM 1938 CG MET A 121 16.111 11.978 0.698 1.00 1.28 C ATOM 1939 SD MET A 121 16.365 13.647 1.336 1.00 2.15 S ATOM 1940 CE MET A 121 18.137 13.826 1.140 1.00 2.43 C ATOM 0 H MET A 121 14.071 11.963 -0.983 1.00 0.73 H new ATOM 0 HA MET A 121 16.132 13.824 -1.413 1.00 0.91 H new ATOM 0 HB2 MET A 121 16.313 10.809 -1.084 1.00 1.05 H new ATOM 0 HB3 MET A 121 17.613 11.956 -0.827 1.00 1.05 H new ATOM 0 HG2 MET A 121 15.058 11.715 0.794 1.00 1.28 H new ATOM 0 HG3 MET A 121 16.673 11.272 1.310 1.00 1.28 H new ATOM 0 HE1 MET A 121 18.481 14.690 1.709 1.00 2.43 H new ATOM 0 HE2 MET A 121 18.636 12.929 1.506 1.00 2.43 H new ATOM 0 HE3 MET A 121 18.374 13.969 0.086 1.00 2.43 H new ATOM 1950 N GLY A 122 15.406 11.989 -3.942 1.00 1.18 N ATOM 1951 CA GLY A 122 15.622 11.859 -5.369 1.00 1.61 C ATOM 1952 C GLY A 122 16.943 11.221 -5.712 1.00 1.21 C ATOM 1953 O GLY A 122 17.368 10.281 -5.038 1.00 1.30 O ATOM 0 H GLY A 122 14.518 11.608 -3.616 1.00 1.18 H new ATOM 0 HA2 GLY A 122 14.816 11.265 -5.800 1.00 1.61 H new ATOM 0 HA3 GLY A 122 15.572 12.846 -5.829 1.00 1.61 H new ATOM 1957 N THR A 123 17.574 11.752 -6.758 1.00 1.27 N ATOM 1958 CA THR A 123 18.879 11.297 -7.236 1.00 1.42 C ATOM 1959 C THR A 123 19.063 9.783 -7.108 1.00 1.27 C ATOM 1960 O THR A 123 18.406 9.010 -7.809 1.00 1.24 O ATOM 1961 CB THR A 123 20.035 12.038 -6.526 1.00 1.94 C ATOM 1962 OG1 THR A 123 19.812 12.073 -5.107 1.00 2.44 O ATOM 1963 CG2 THR A 123 20.180 13.458 -7.055 1.00 2.58 C ATOM 0 H THR A 123 17.188 12.521 -7.305 1.00 1.27 H new ATOM 0 HA THR A 123 18.909 11.540 -8.298 1.00 1.42 H new ATOM 0 HB THR A 123 20.956 11.493 -6.732 1.00 1.94 H new ATOM 0 HG1 THR A 123 20.553 12.544 -4.671 1.00 2.44 H new ATOM 0 HG21 THR A 123 21.000 13.957 -6.539 1.00 2.58 H new ATOM 0 HG22 THR A 123 20.389 13.428 -8.124 1.00 2.58 H new ATOM 0 HG23 THR A 123 19.255 14.007 -6.881 1.00 2.58 H new ATOM 1971 N LYS A 124 19.908 9.373 -6.169 1.00 1.28 N ATOM 1972 CA LYS A 124 20.287 7.975 -6.029 1.00 1.24 C ATOM 1973 C LYS A 124 19.268 7.211 -5.188 1.00 1.05 C ATOM 1974 O LYS A 124 18.997 6.037 -5.444 1.00 1.04 O ATOM 1975 CB LYS A 124 21.680 7.883 -5.403 1.00 1.43 C ATOM 1976 CG LYS A 124 22.264 6.481 -5.403 1.00 2.04 C ATOM 1977 CD LYS A 124 23.672 6.461 -4.829 1.00 2.45 C ATOM 1978 CE LYS A 124 24.618 7.352 -5.622 1.00 3.14 C ATOM 1979 NZ LYS A 124 24.707 6.947 -7.051 1.00 3.80 N ATOM 0 H LYS A 124 20.346 9.995 -5.490 1.00 1.28 H new ATOM 0 HA LYS A 124 20.307 7.517 -7.018 1.00 1.24 H new ATOM 0 HB2 LYS A 124 22.355 8.547 -5.943 1.00 1.43 H new ATOM 0 HB3 LYS A 124 21.631 8.245 -4.376 1.00 1.43 H new ATOM 0 HG2 LYS A 124 21.623 5.819 -4.820 1.00 2.04 H new ATOM 0 HG3 LYS A 124 22.280 6.093 -6.421 1.00 2.04 H new ATOM 0 HD2 LYS A 124 23.646 6.792 -3.791 1.00 2.45 H new ATOM 0 HD3 LYS A 124 24.050 5.439 -4.829 1.00 2.45 H new ATOM 0 HE2 LYS A 124 24.278 8.386 -5.560 1.00 3.14 H new ATOM 0 HE3 LYS A 124 25.611 7.315 -5.173 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 25.471 7.479 -7.516 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 24.908 5.928 -7.111 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 23.805 7.151 -7.526 1.00 3.80 H new ATOM 1993 N HIS A 125 18.693 7.883 -4.195 1.00 0.96 N ATOM 1994 CA HIS A 125 17.686 7.263 -3.336 1.00 0.85 C ATOM 1995 C HIS A 125 16.448 6.886 -4.142 1.00 0.76 C ATOM 1996 O HIS A 125 15.979 5.750 -4.084 1.00 0.76 O ATOM 1997 CB HIS A 125 17.299 8.193 -2.178 1.00 0.85 C ATOM 1998 CG HIS A 125 18.113 7.987 -0.934 1.00 1.23 C ATOM 1999 ND1 HIS A 125 18.920 8.960 -0.378 1.00 1.80 N ATOM 2000 CD2 HIS A 125 18.221 6.908 -0.120 1.00 1.80 C ATOM 2001 CE1 HIS A 125 19.487 8.486 0.718 1.00 2.14 C ATOM 2002 NE2 HIS A 125 19.079 7.246 0.895 1.00 2.12 N ATOM 0 H HIS A 125 18.905 8.854 -3.965 1.00 0.96 H new ATOM 0 HA HIS A 125 18.121 6.356 -2.917 1.00 0.85 H new ATOM 0 HB2 HIS A 125 17.407 9.227 -2.504 1.00 0.85 H new ATOM 0 HB3 HIS A 125 16.246 8.042 -1.940 1.00 0.85 H new ATOM 0 HD2 HIS A 125 17.723 5.958 -0.247 1.00 1.80 H new ATOM 0 HE1 HIS A 125 20.169 9.024 1.360 1.00 2.14 H new ATOM 0 HE2 HIS A 125 19.357 6.635 1.663 1.00 2.12 H new ATOM 2011 N ALA A 126 15.935 7.829 -4.908 1.00 0.77 N ATOM 2012 CA ALA A 126 14.756 7.575 -5.719 1.00 0.80 C ATOM 2013 C ALA A 126 15.107 6.709 -6.921 1.00 0.86 C ATOM 2014 O ALA A 126 14.254 6.002 -7.447 1.00 0.92 O ATOM 2015 CB ALA A 126 14.119 8.880 -6.153 1.00 0.92 C ATOM 0 H ALA A 126 16.312 8.773 -4.987 1.00 0.77 H new ATOM 0 HA ALA A 126 14.031 7.030 -5.115 1.00 0.80 H new ATOM 0 HB1 ALA A 126 13.238 8.671 -6.759 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.826 9.452 -5.273 1.00 0.92 H new ATOM 0 HB3 ALA A 126 14.834 9.457 -6.739 1.00 0.92 H new ATOM 2021 N LYS A 127 16.369 6.767 -7.349 1.00 0.92 N ATOM 2022 CA LYS A 127 16.862 5.891 -8.411 1.00 1.05 C ATOM 2023 C LYS A 127 16.642 4.429 -8.039 1.00 0.97 C ATOM 2024 O LYS A 127 16.049 3.663 -8.801 1.00 1.04 O ATOM 2025 CB LYS A 127 18.356 6.138 -8.644 1.00 1.26 C ATOM 2026 CG LYS A 127 18.971 5.292 -9.747 1.00 1.55 C ATOM 2027 CD LYS A 127 18.625 5.819 -11.129 1.00 1.93 C ATOM 2028 CE LYS A 127 19.325 5.013 -12.209 1.00 2.38 C ATOM 2029 NZ LYS A 127 19.235 5.664 -13.541 1.00 2.83 N ATOM 0 H LYS A 127 17.067 7.411 -6.977 1.00 0.92 H new ATOM 0 HA LYS A 127 16.311 6.113 -9.325 1.00 1.05 H new ATOM 0 HB2 LYS A 127 18.504 7.191 -8.886 1.00 1.26 H new ATOM 0 HB3 LYS A 127 18.892 5.946 -7.715 1.00 1.26 H new ATOM 0 HG2 LYS A 127 20.054 5.272 -9.627 1.00 1.55 H new ATOM 0 HG3 LYS A 127 18.621 4.264 -9.653 1.00 1.55 H new ATOM 0 HD2 LYS A 127 17.546 5.776 -11.279 1.00 1.93 H new ATOM 0 HD3 LYS A 127 18.916 6.867 -11.206 1.00 1.93 H new ATOM 0 HE2 LYS A 127 20.373 4.882 -11.940 1.00 2.38 H new ATOM 0 HE3 LYS A 127 18.883 4.018 -12.262 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 19.726 5.079 -14.247 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 18.236 5.766 -13.811 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 19.680 6.603 -13.499 1.00 2.83 H new ATOM 2043 N ARG A 128 17.107 4.061 -6.849 1.00 0.94 N ATOM 2044 CA ARG A 128 17.041 2.679 -6.394 1.00 1.00 C ATOM 2045 C ARG A 128 15.611 2.262 -6.040 1.00 0.97 C ATOM 2046 O ARG A 128 15.247 1.095 -6.194 1.00 1.09 O ATOM 2047 CB ARG A 128 17.997 2.452 -5.212 1.00 1.14 C ATOM 2048 CG ARG A 128 17.812 3.424 -4.055 1.00 1.11 C ATOM 2049 CD ARG A 128 18.970 3.358 -3.065 1.00 1.34 C ATOM 2050 NE ARG A 128 18.914 2.171 -2.207 1.00 1.59 N ATOM 2051 CZ ARG A 128 19.849 1.221 -2.178 1.00 1.95 C ATOM 2052 NH1 ARG A 128 20.903 1.297 -2.981 1.00 2.14 N ATOM 2053 NH2 ARG A 128 19.734 0.201 -1.334 1.00 2.59 N ATOM 0 H ARG A 128 17.534 4.703 -6.182 1.00 0.94 H new ATOM 0 HA ARG A 128 17.361 2.044 -7.220 1.00 1.00 H new ATOM 0 HB2 ARG A 128 17.862 1.436 -4.842 1.00 1.14 H new ATOM 0 HB3 ARG A 128 19.023 2.526 -5.572 1.00 1.14 H new ATOM 0 HG2 ARG A 128 17.724 4.439 -4.444 1.00 1.11 H new ATOM 0 HG3 ARG A 128 16.879 3.199 -3.538 1.00 1.11 H new ATOM 0 HD2 ARG A 128 19.912 3.361 -3.613 1.00 1.34 H new ATOM 0 HD3 ARG A 128 18.961 4.252 -2.442 1.00 1.34 H new ATOM 0 HE ARG A 128 18.107 2.065 -1.592 1.00 1.59 H new ATOM 0 HH11 ARG A 128 21.000 2.084 -3.623 1.00 2.14 H new ATOM 0 HH12 ARG A 128 21.617 0.569 -2.956 1.00 2.14 H new ATOM 0 HH21 ARG A 128 18.930 0.145 -0.708 1.00 2.59 H new ATOM 0 HH22 ARG A 128 20.449 -0.526 -1.312 1.00 2.59 H new ATOM 2067 N VAL A 129 14.796 3.206 -5.587 1.00 0.91 N ATOM 2068 CA VAL A 129 13.401 2.906 -5.260 1.00 1.04 C ATOM 2069 C VAL A 129 12.546 2.753 -6.523 1.00 1.04 C ATOM 2070 O VAL A 129 11.689 1.869 -6.606 1.00 1.19 O ATOM 2071 CB VAL A 129 12.784 3.997 -4.352 1.00 1.16 C ATOM 2072 CG1 VAL A 129 11.303 3.742 -4.115 1.00 1.43 C ATOM 2073 CG2 VAL A 129 13.525 4.074 -3.028 1.00 1.48 C ATOM 0 H VAL A 129 15.069 4.177 -5.438 1.00 0.91 H new ATOM 0 HA VAL A 129 13.405 1.959 -4.721 1.00 1.04 H new ATOM 0 HB VAL A 129 12.885 4.953 -4.865 1.00 1.16 H new ATOM 0 HG11 VAL A 129 10.897 4.524 -3.474 1.00 1.43 H new ATOM 0 HG12 VAL A 129 10.776 3.745 -5.069 1.00 1.43 H new ATOM 0 HG13 VAL A 129 11.173 2.774 -3.632 1.00 1.43 H new ATOM 0 HG21 VAL A 129 13.076 4.847 -2.404 1.00 1.48 H new ATOM 0 HG22 VAL A 129 13.460 3.113 -2.518 1.00 1.48 H new ATOM 0 HG23 VAL A 129 14.572 4.318 -3.210 1.00 1.48 H new ATOM 2083 N ARG A 130 12.806 3.598 -7.515 1.00 0.99 N ATOM 2084 CA ARG A 130 11.989 3.650 -8.729 1.00 1.14 C ATOM 2085 C ARG A 130 12.037 2.332 -9.513 1.00 1.05 C ATOM 2086 O ARG A 130 11.194 2.094 -10.373 1.00 1.24 O ATOM 2087 CB ARG A 130 12.460 4.797 -9.630 1.00 1.30 C ATOM 2088 CG ARG A 130 11.483 5.155 -10.742 1.00 1.75 C ATOM 2089 CD ARG A 130 12.168 5.945 -11.842 1.00 1.86 C ATOM 2090 NE ARG A 130 13.228 5.163 -12.467 1.00 2.36 N ATOM 2091 CZ ARG A 130 14.278 5.680 -13.094 1.00 2.92 C ATOM 2092 NH1 ARG A 130 14.387 6.995 -13.256 1.00 3.04 N ATOM 2093 NH2 ARG A 130 15.216 4.874 -13.569 1.00 3.83 N ATOM 0 H ARG A 130 13.581 4.262 -7.504 1.00 0.99 H new ATOM 0 HA ARG A 130 10.958 3.818 -8.419 1.00 1.14 H new ATOM 0 HB2 ARG A 130 12.634 5.680 -9.015 1.00 1.30 H new ATOM 0 HB3 ARG A 130 13.417 4.526 -10.075 1.00 1.30 H new ATOM 0 HG2 ARG A 130 11.053 4.244 -11.159 1.00 1.75 H new ATOM 0 HG3 ARG A 130 10.659 5.738 -10.331 1.00 1.75 H new ATOM 0 HD2 ARG A 130 11.435 6.237 -12.594 1.00 1.86 H new ATOM 0 HD3 ARG A 130 12.585 6.864 -11.429 1.00 1.86 H new ATOM 0 HE ARG A 130 13.158 4.147 -12.419 1.00 2.36 H new ATOM 0 HH11 ARG A 130 13.661 7.615 -12.897 1.00 3.04 H new ATOM 0 HH12 ARG A 130 15.197 7.384 -13.739 1.00 3.04 H new ATOM 0 HH21 ARG A 130 15.128 3.865 -13.452 1.00 3.83 H new ATOM 0 HH22 ARG A 130 16.026 5.263 -14.052 1.00 3.83 H new ATOM 2107 N ASN A 131 13.018 1.483 -9.204 1.00 0.85 N ATOM 2108 CA ASN A 131 13.232 0.231 -9.945 1.00 0.88 C ATOM 2109 C ASN A 131 11.984 -0.652 -9.995 1.00 1.08 C ATOM 2110 O ASN A 131 11.836 -1.464 -10.907 1.00 1.24 O ATOM 2111 CB ASN A 131 14.401 -0.578 -9.359 1.00 0.88 C ATOM 2112 CG ASN A 131 15.753 0.027 -9.668 1.00 1.70 C ATOM 2113 OD1 ASN A 131 16.358 0.650 -8.676 1.00 2.48 O flip ATOM 2114 ND2 ASN A 131 16.270 -0.107 -10.777 1.00 2.04 N flip ATOM 0 H ASN A 131 13.681 1.637 -8.444 1.00 0.85 H new ATOM 0 HA ASN A 131 13.473 0.532 -10.964 1.00 0.88 H new ATOM 0 HB2 ASN A 131 14.280 -0.650 -8.278 1.00 0.88 H new ATOM 0 HB3 ASN A 131 14.365 -1.594 -9.752 1.00 0.88 H new ATOM 0 HD21 ASN A 131 15.768 -0.596 -11.518 1.00 2.04 H new ATOM 0 HD22 ASN A 131 17.201 0.271 -10.955 1.00 2.04 H new ATOM 2121 N GLY A 132 11.087 -0.505 -9.029 1.00 1.23 N ATOM 2122 CA GLY A 132 9.896 -1.342 -9.019 1.00 1.61 C ATOM 2123 C GLY A 132 8.608 -0.585 -8.744 1.00 1.21 C ATOM 2124 O GLY A 132 7.528 -1.031 -9.128 1.00 1.24 O ATOM 0 H GLY A 132 11.157 0.165 -8.263 1.00 1.23 H new ATOM 0 HA2 GLY A 132 9.811 -1.845 -9.982 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.017 -2.118 -8.263 1.00 1.61 H new ATOM 2128 N MET A 133 8.710 0.560 -8.083 1.00 1.24 N ATOM 2129 CA MET A 133 7.523 1.284 -7.629 1.00 1.38 C ATOM 2130 C MET A 133 6.791 1.962 -8.783 1.00 1.35 C ATOM 2131 O MET A 133 5.580 2.176 -8.711 1.00 1.56 O ATOM 2132 CB MET A 133 7.902 2.339 -6.586 1.00 2.06 C ATOM 2133 CG MET A 133 8.044 1.821 -5.157 1.00 2.92 C ATOM 2134 SD MET A 133 9.331 0.572 -4.949 1.00 3.99 S ATOM 2135 CE MET A 133 8.446 -0.930 -5.362 1.00 4.83 C ATOM 0 H MET A 133 9.596 1.008 -7.849 1.00 1.24 H new ATOM 0 HA MET A 133 6.854 0.547 -7.184 1.00 1.38 H new ATOM 0 HB2 MET A 133 8.844 2.799 -6.884 1.00 2.06 H new ATOM 0 HB3 MET A 133 7.147 3.125 -6.597 1.00 2.06 H new ATOM 0 HG2 MET A 133 8.259 2.662 -4.497 1.00 2.92 H new ATOM 0 HG3 MET A 133 7.090 1.401 -4.838 1.00 2.92 H new ATOM 0 HE1 MET A 133 8.429 -1.592 -4.496 1.00 4.83 H new ATOM 0 HE2 MET A 133 7.424 -0.683 -5.650 1.00 4.83 H new ATOM 0 HE3 MET A 133 8.946 -1.430 -6.192 1.00 4.83 H new ATOM 2145 N ASP A 134 7.519 2.280 -9.850 1.00 1.38 N ATOM 2146 CA ASP A 134 6.949 3.034 -10.967 1.00 1.84 C ATOM 2147 C ASP A 134 5.981 2.168 -11.771 1.00 1.95 C ATOM 2148 O ASP A 134 5.198 2.674 -12.575 1.00 2.41 O ATOM 2149 CB ASP A 134 8.059 3.581 -11.877 1.00 2.05 C ATOM 2150 CG ASP A 134 8.624 2.537 -12.821 1.00 2.29 C ATOM 2151 OD1 ASP A 134 9.149 1.509 -12.335 1.00 2.83 O ATOM 2152 OD2 ASP A 134 8.550 2.735 -14.048 1.00 2.28 O ATOM 0 H ASP A 134 8.501 2.029 -9.966 1.00 1.38 H new ATOM 0 HA ASP A 134 6.394 3.877 -10.555 1.00 1.84 H new ATOM 0 HB2 ASP A 134 7.665 4.414 -12.460 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.865 3.977 -11.259 1.00 2.05 H new ATOM 2157 N LYS A 135 6.037 0.864 -11.547 1.00 1.70 N ATOM 2158 CA LYS A 135 5.116 -0.063 -12.186 1.00 2.03 C ATOM 2159 C LYS A 135 4.234 -0.722 -11.121 1.00 1.70 C ATOM 2160 O LYS A 135 3.568 -1.732 -11.364 1.00 2.17 O ATOM 2161 CB LYS A 135 5.896 -1.117 -12.983 1.00 2.40 C ATOM 2162 CG LYS A 135 5.016 -1.971 -13.880 1.00 3.08 C ATOM 2163 CD LYS A 135 5.814 -3.020 -14.633 1.00 3.44 C ATOM 2164 CE LYS A 135 4.902 -3.904 -15.469 1.00 3.61 C ATOM 2165 NZ LYS A 135 4.166 -3.124 -16.500 1.00 4.15 N ATOM 0 H LYS A 135 6.714 0.422 -10.925 1.00 1.70 H new ATOM 0 HA LYS A 135 4.476 0.480 -12.882 1.00 2.03 H new ATOM 0 HB2 LYS A 135 6.647 -0.617 -13.594 1.00 2.40 H new ATOM 0 HB3 LYS A 135 6.430 -1.765 -12.288 1.00 2.40 H new ATOM 0 HG2 LYS A 135 4.252 -2.462 -13.277 1.00 3.08 H new ATOM 0 HG3 LYS A 135 4.497 -1.331 -14.593 1.00 3.08 H new ATOM 0 HD2 LYS A 135 6.544 -2.532 -15.278 1.00 3.44 H new ATOM 0 HD3 LYS A 135 6.373 -3.634 -13.926 1.00 3.44 H new ATOM 0 HE2 LYS A 135 5.494 -4.680 -15.955 1.00 3.61 H new ATOM 0 HE3 LYS A 135 4.188 -4.408 -14.817 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 3.717 -3.776 -17.174 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 3.435 -2.544 -16.040 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 4.831 -2.506 -17.007 1.00 4.15 H new ATOM 2179 N GLY A 136 4.217 -0.118 -9.942 1.00 1.04 N ATOM 2180 CA GLY A 136 3.475 -0.670 -8.829 1.00 0.79 C ATOM 2181 C GLY A 136 2.217 0.113 -8.526 1.00 0.65 C ATOM 2182 O GLY A 136 1.170 -0.141 -9.119 1.00 0.57 O ATOM 0 H GLY A 136 4.708 0.752 -9.736 1.00 1.04 H new ATOM 0 HA2 GLY A 136 3.211 -1.704 -9.050 1.00 0.79 H new ATOM 0 HA3 GLY A 136 4.111 -0.685 -7.944 1.00 0.79 H new ATOM 2186 N TRP A 137 2.337 1.095 -7.635 1.00 0.68 N ATOM 2187 CA TRP A 137 1.182 1.838 -7.130 1.00 0.67 C ATOM 2188 C TRP A 137 0.322 2.466 -8.235 1.00 0.57 C ATOM 2189 O TRP A 137 -0.896 2.331 -8.189 1.00 0.56 O ATOM 2190 CB TRP A 137 1.614 2.917 -6.134 1.00 0.81 C ATOM 2191 CG TRP A 137 1.950 2.383 -4.775 1.00 0.66 C ATOM 2192 CD1 TRP A 137 3.107 2.578 -4.079 1.00 1.62 C ATOM 2193 CD2 TRP A 137 1.117 1.561 -3.947 1.00 0.93 C ATOM 2194 NE1 TRP A 137 3.041 1.936 -2.866 1.00 1.62 N ATOM 2195 CE2 TRP A 137 1.831 1.299 -2.764 1.00 0.98 C ATOM 2196 CE3 TRP A 137 -0.163 1.020 -4.093 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 1.307 0.524 -1.732 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 -0.683 0.252 -3.071 1.00 2.78 C ATOM 2199 CH2 TRP A 137 0.051 0.008 -1.904 1.00 2.32 C ATOM 0 H TRP A 137 3.230 1.397 -7.245 1.00 0.68 H new ATOM 0 HA TRP A 137 0.559 1.099 -6.625 1.00 0.67 H new ATOM 0 HB2 TRP A 137 2.482 3.441 -6.534 1.00 0.81 H new ATOM 0 HB3 TRP A 137 0.814 3.652 -6.038 1.00 0.81 H new ATOM 0 HD1 TRP A 137 3.951 3.153 -4.430 1.00 1.62 H new ATOM 0 HE1 TRP A 137 3.774 1.934 -2.156 1.00 1.62 H new ATOM 0 HE3 TRP A 137 -0.736 1.200 -4.991 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 1.871 0.337 -0.830 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 -1.673 -0.168 -3.173 1.00 2.78 H new ATOM 0 HH2 TRP A 137 -0.383 -0.600 -1.124 1.00 2.32 H new ATOM 2210 N PRO A 138 0.907 3.167 -9.235 1.00 0.58 N ATOM 2211 CA PRO A 138 0.121 3.771 -10.321 1.00 0.61 C ATOM 2212 C PRO A 138 -0.805 2.761 -11.004 1.00 0.58 C ATOM 2213 O PRO A 138 -1.950 3.075 -11.325 1.00 0.64 O ATOM 2214 CB PRO A 138 1.182 4.285 -11.309 1.00 0.68 C ATOM 2215 CG PRO A 138 2.469 3.669 -10.870 1.00 0.66 C ATOM 2216 CD PRO A 138 2.340 3.458 -9.392 1.00 0.63 C ATOM 0 HA PRO A 138 -0.539 4.555 -9.949 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.938 3.997 -12.332 1.00 0.68 H new ATOM 0 HB3 PRO A 138 1.241 5.373 -11.290 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.646 2.725 -11.385 1.00 0.66 H new ATOM 0 HG3 PRO A 138 3.312 4.320 -11.099 1.00 0.66 H new ATOM 0 HD2 PRO A 138 2.962 2.633 -9.044 1.00 0.63 H new ATOM 0 HD3 PRO A 138 2.639 4.342 -8.828 1.00 0.63 H new ATOM 2224 N THR A 139 -0.308 1.547 -11.205 1.00 0.57 N ATOM 2225 CA THR A 139 -1.097 0.488 -11.804 1.00 0.62 C ATOM 2226 C THR A 139 -2.056 -0.105 -10.767 1.00 0.54 C ATOM 2227 O THR A 139 -3.249 -0.331 -11.036 1.00 0.55 O ATOM 2228 CB THR A 139 -0.169 -0.610 -12.368 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.785 -0.023 -13.264 1.00 0.81 O ATOM 2230 CG2 THR A 139 -0.958 -1.680 -13.104 1.00 0.87 C ATOM 0 H THR A 139 0.644 1.274 -10.959 1.00 0.57 H new ATOM 0 HA THR A 139 -1.684 0.904 -12.623 1.00 0.62 H new ATOM 0 HB THR A 139 0.344 -1.079 -11.529 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.373 -0.722 -13.619 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.274 -2.437 -13.488 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.667 -2.145 -12.419 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.500 -1.226 -13.934 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.526 -0.318 -9.564 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.285 -0.905 -8.473 1.00 0.47 C ATOM 2240 C ILE A 140 -3.503 -0.066 -8.119 1.00 0.42 C ATOM 2241 O ILE A 140 -4.610 -0.580 -8.092 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.412 -1.113 -7.214 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.367 -2.203 -7.472 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.278 -1.475 -6.014 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.482 -2.545 -6.266 1.00 0.72 C ATOM 0 H ILE A 140 -0.562 -0.088 -9.323 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.625 -1.879 -8.824 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.895 -0.180 -6.991 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.875 -3.105 -7.812 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.286 -1.880 -8.283 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.645 -1.617 -5.138 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.988 -0.671 -5.822 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.822 -2.397 -6.222 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.196 -3.324 -6.533 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.021 -1.657 -5.937 1.00 0.72 H new ATOM 0 HD13 ILE A 140 -0.159 -2.901 -5.459 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.296 1.225 -7.887 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.361 2.110 -7.419 1.00 0.36 C ATOM 2259 C LEU A 141 -5.542 2.152 -8.386 1.00 0.38 C ATOM 2260 O LEU A 141 -6.677 2.386 -7.975 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.825 3.527 -7.196 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.747 3.657 -6.117 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.347 5.116 -5.942 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.235 3.069 -4.796 1.00 0.56 C ATOM 0 H LEU A 141 -2.395 1.686 -8.016 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.718 1.703 -6.473 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.419 3.897 -8.138 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.660 4.176 -6.932 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.869 3.095 -6.435 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.580 5.193 -5.172 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -1.956 5.501 -6.884 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.219 5.699 -5.645 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.455 3.171 -4.042 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -4.128 3.602 -4.468 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.472 2.014 -4.933 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.279 1.929 -9.666 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.344 1.928 -10.660 1.00 0.48 C ATOM 2278 C GLN A 142 -7.173 0.655 -10.545 1.00 0.47 C ATOM 2279 O GLN A 142 -8.396 0.709 -10.425 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.772 2.065 -12.073 1.00 0.58 C ATOM 2281 CG GLN A 142 -4.921 3.311 -12.273 1.00 0.88 C ATOM 2282 CD GLN A 142 -5.689 4.598 -12.038 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -6.286 5.156 -12.957 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -5.665 5.084 -10.808 1.00 0.77 N ATOM 0 H GLN A 142 -4.347 1.748 -10.039 1.00 0.43 H new ATOM 0 HA GLN A 142 -6.989 2.786 -10.470 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -5.170 1.185 -12.298 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.595 2.079 -12.788 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -4.068 3.274 -11.595 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -4.522 3.313 -13.287 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -5.158 4.590 -10.074 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -6.154 5.953 -10.593 1.00 0.77 H new ATOM 2293 N SER A 143 -6.501 -0.491 -10.552 1.00 0.49 N ATOM 2294 CA SER A 143 -7.192 -1.771 -10.419 1.00 0.53 C ATOM 2295 C SER A 143 -7.732 -1.939 -8.994 1.00 0.45 C ATOM 2296 O SER A 143 -8.688 -2.677 -8.760 1.00 0.46 O ATOM 2297 CB SER A 143 -6.246 -2.907 -10.797 1.00 0.64 C ATOM 2298 OG SER A 143 -6.929 -4.145 -10.906 1.00 1.15 O ATOM 0 H SER A 143 -5.488 -0.562 -10.647 1.00 0.49 H new ATOM 0 HA SER A 143 -8.044 -1.797 -11.098 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.760 -2.675 -11.745 1.00 0.64 H new ATOM 0 HB3 SER A 143 -5.460 -2.990 -10.047 1.00 0.64 H new ATOM 0 HG SER A 143 -6.965 -4.417 -11.847 1.00 1.15 H new ATOM 2304 N PHE A 144 -7.114 -1.234 -8.055 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.580 -1.182 -6.676 1.00 0.36 C ATOM 2306 C PHE A 144 -8.981 -0.578 -6.622 1.00 0.32 C ATOM 2307 O PHE A 144 -9.906 -1.166 -6.062 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.596 -0.346 -5.844 1.00 0.35 C ATOM 2309 CG PHE A 144 -7.001 -0.117 -4.415 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -6.784 -1.091 -3.454 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.577 1.084 -4.030 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.136 -0.871 -2.136 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.934 1.307 -2.715 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.713 0.329 -1.766 1.00 0.78 C ATOM 0 H PHE A 144 -6.274 -0.682 -8.229 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.628 -2.190 -6.264 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.624 -0.840 -5.855 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.467 0.622 -6.328 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.335 -2.032 -3.738 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.748 1.854 -4.767 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -6.960 -1.637 -1.395 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -8.386 2.245 -2.429 1.00 0.68 H new ATOM 0 HZ PHE A 144 -7.990 0.501 -0.737 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.128 0.591 -7.243 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.415 1.277 -7.304 1.00 0.31 C ATOM 2326 C GLN A 145 -11.405 0.475 -8.132 1.00 0.35 C ATOM 2327 O GLN A 145 -12.609 0.533 -7.908 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.253 2.672 -7.909 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.501 3.637 -7.015 1.00 0.41 C ATOM 2330 CD GLN A 145 -9.169 4.950 -7.700 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -9.926 5.915 -7.629 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -8.031 4.989 -8.370 1.00 0.66 N ATOM 0 H GLN A 145 -8.368 1.083 -7.712 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.795 1.374 -6.287 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.728 2.588 -8.861 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.240 3.083 -8.124 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.098 3.839 -6.126 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.577 3.166 -6.679 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.431 4.165 -8.404 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.753 5.843 -8.853 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.877 -0.286 -9.079 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.704 -1.055 -9.998 1.00 0.43 C ATOM 2343 C ASP A 146 -12.280 -2.291 -9.319 1.00 0.40 C ATOM 2344 O ASP A 146 -13.454 -2.602 -9.493 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.903 -1.464 -11.231 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.766 -2.131 -12.282 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -12.631 -1.445 -12.872 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -11.573 -3.336 -12.534 1.00 1.46 O ATOM 0 H ASP A 146 -9.874 -0.388 -9.232 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.531 -0.417 -10.309 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.427 -0.583 -11.661 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -10.105 -2.145 -10.934 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.461 -2.993 -8.540 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.940 -4.157 -7.808 1.00 0.51 C ATOM 2355 C LYS A 147 -12.976 -3.734 -6.772 1.00 0.48 C ATOM 2356 O LYS A 147 -13.989 -4.402 -6.579 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.777 -4.890 -7.139 1.00 0.64 C ATOM 2358 CG LYS A 147 -11.185 -6.201 -6.490 1.00 0.92 C ATOM 2359 CD LYS A 147 -9.994 -6.924 -5.887 1.00 1.03 C ATOM 2360 CE LYS A 147 -10.312 -8.386 -5.622 1.00 1.25 C ATOM 2361 NZ LYS A 147 -11.443 -8.562 -4.674 1.00 1.74 N ATOM 0 H LYS A 147 -10.474 -2.778 -8.402 1.00 0.42 H new ATOM 0 HA LYS A 147 -12.411 -4.842 -8.513 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -10.005 -5.086 -7.883 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -10.335 -4.241 -6.383 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -11.925 -6.008 -5.713 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -11.662 -6.841 -7.232 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -9.142 -6.852 -6.563 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -9.704 -6.438 -4.955 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -10.553 -8.878 -6.564 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -9.427 -8.880 -5.221 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -11.619 -9.577 -4.528 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -11.206 -8.117 -3.764 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -12.297 -8.116 -5.066 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.720 -2.607 -6.119 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.664 -2.025 -5.192 1.00 0.40 C ATOM 2377 C ILE A 148 -14.884 -1.498 -5.938 1.00 0.42 C ATOM 2378 O ILE A 148 -15.975 -1.411 -5.384 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.999 -0.887 -4.389 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.840 -1.434 -3.554 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -14.016 -0.188 -3.500 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.116 -0.374 -2.755 1.00 0.37 C ATOM 0 H ILE A 148 -11.854 -2.078 -6.221 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.987 -2.800 -4.497 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.605 -0.154 -5.093 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -12.222 -2.194 -2.872 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -11.128 -1.928 -4.215 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.525 0.610 -2.943 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.809 0.234 -4.117 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.444 -0.907 -2.802 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.307 -0.835 -2.188 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.704 0.374 -3.432 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.814 0.104 -2.068 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.700 -1.153 -7.201 1.00 0.41 N ATOM 2395 CA ASP A 149 -15.810 -0.721 -8.031 1.00 0.49 C ATOM 2396 C ASP A 149 -16.714 -1.908 -8.318 1.00 0.55 C ATOM 2397 O ASP A 149 -17.931 -1.783 -8.317 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.303 -0.100 -9.333 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.394 0.597 -10.114 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -16.864 1.661 -9.668 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -16.800 0.071 -11.172 1.00 0.77 O ATOM 0 H ASP A 149 -13.795 -1.164 -7.672 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.379 0.042 -7.499 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.512 0.615 -9.105 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -14.860 -0.879 -9.953 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.098 -3.072 -8.519 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.843 -4.320 -8.697 1.00 0.68 C ATOM 2408 C GLU A 150 -17.585 -4.632 -7.415 1.00 0.75 C ATOM 2409 O GLU A 150 -18.775 -4.956 -7.407 1.00 0.89 O ATOM 2410 CB GLU A 150 -15.901 -5.492 -8.989 1.00 0.76 C ATOM 2411 CG GLU A 150 -14.981 -5.292 -10.175 1.00 0.78 C ATOM 2412 CD GLU A 150 -14.017 -6.445 -10.347 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -12.887 -6.371 -9.814 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -14.386 -7.434 -11.008 1.00 1.50 O ATOM 0 H GLU A 150 -15.084 -3.178 -8.563 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.527 -4.192 -9.536 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -15.293 -5.679 -8.104 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.500 -6.387 -9.159 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -15.577 -5.180 -11.081 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.420 -4.367 -10.046 1.00 0.78 H new ATOM 2421 N GLU A 151 -16.843 -4.495 -6.334 1.00 0.72 N ATOM 2422 CA GLU A 151 -17.299 -4.810 -4.999 1.00 0.84 C ATOM 2423 C GLU A 151 -18.426 -3.863 -4.580 1.00 0.88 C ATOM 2424 O GLU A 151 -19.451 -4.295 -4.051 1.00 1.06 O ATOM 2425 CB GLU A 151 -16.069 -4.746 -4.075 1.00 0.86 C ATOM 2426 CG GLU A 151 -16.305 -4.235 -2.668 1.00 0.95 C ATOM 2427 CD GLU A 151 -17.241 -5.110 -1.860 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -16.925 -6.303 -1.673 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -18.284 -4.610 -1.389 1.00 1.63 O ATOM 0 H GLU A 151 -15.883 -4.153 -6.363 1.00 0.72 H new ATOM 0 HA GLU A 151 -17.729 -5.810 -4.942 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -15.641 -5.746 -4.007 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -15.320 -4.110 -4.548 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -15.349 -4.163 -2.150 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -16.716 -3.227 -2.720 1.00 0.95 H new ATOM 2436 N GLY A 152 -18.252 -2.584 -4.868 1.00 0.84 N ATOM 2437 CA GLY A 152 -19.263 -1.605 -4.540 1.00 0.96 C ATOM 2438 C GLY A 152 -20.433 -1.653 -5.498 1.00 1.04 C ATOM 2439 O GLY A 152 -21.523 -2.096 -5.131 1.00 1.32 O ATOM 0 H GLY A 152 -17.423 -2.205 -5.326 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -19.619 -1.778 -3.524 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -18.821 -0.609 -4.557 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.204 -1.219 -6.732 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.258 -1.158 -7.733 1.00 1.47 C ATOM 2445 C ALA A 153 -20.679 -1.064 -9.142 1.00 1.29 C ATOM 2446 O ALA A 153 -20.299 0.014 -9.599 1.00 1.70 O ATOM 2447 CB ALA A 153 -22.176 0.021 -7.460 1.00 1.92 C ATOM 0 H ALA A 153 -19.292 -0.903 -7.063 1.00 1.14 H new ATOM 0 HA ALA A 153 -21.836 -2.080 -7.669 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -22.960 0.055 -8.217 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -22.628 -0.090 -6.474 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -21.600 0.946 -7.493 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.599 -2.204 -9.814 1.00 1.09 N ATOM 2454 CA LYS A 154 -20.123 -2.259 -11.190 1.00 1.02 C ATOM 2455 C LYS A 154 -21.005 -3.197 -12.000 1.00 1.38 C ATOM 2456 O LYS A 154 -21.420 -2.871 -13.115 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.665 -2.735 -11.256 1.00 0.91 C ATOM 2458 CG LYS A 154 -18.099 -2.739 -12.669 1.00 1.02 C ATOM 2459 CD LYS A 154 -16.767 -3.472 -12.760 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.626 -2.688 -12.125 1.00 0.73 C ATOM 2461 NZ LYS A 154 -15.364 -1.403 -12.824 1.00 1.32 N ATOM 0 H LYS A 154 -20.860 -3.110 -9.425 1.00 1.09 H new ATOM 0 HA LYS A 154 -20.172 -1.253 -11.607 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -18.050 -2.091 -10.627 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -18.599 -3.741 -10.842 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -18.816 -3.209 -13.343 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -17.969 -1.711 -13.008 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -16.855 -4.441 -12.269 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -16.533 -3.665 -13.807 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -15.863 -2.488 -11.080 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -14.721 -3.296 -12.136 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -14.338 -1.243 -12.883 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -15.764 -1.442 -13.783 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -15.806 -0.624 -12.296 1.00 1.32 H new ATOM 2475 N LYS A 155 -21.277 -4.365 -11.426 1.00 1.82 N ATOM 2476 CA LYS A 155 -22.122 -5.368 -12.059 1.00 2.44 C ATOM 2477 C LYS A 155 -23.512 -4.809 -12.359 1.00 3.14 C ATOM 2478 O LYS A 155 -24.138 -4.237 -11.441 1.00 3.71 O ATOM 2479 CB LYS A 155 -22.229 -6.635 -11.189 1.00 2.82 C ATOM 2480 CG LYS A 155 -22.797 -6.416 -9.789 1.00 2.95 C ATOM 2481 CD LYS A 155 -21.718 -6.054 -8.780 1.00 3.46 C ATOM 2482 CE LYS A 155 -22.301 -5.879 -7.386 1.00 3.45 C ATOM 2483 NZ LYS A 155 -21.249 -5.632 -6.364 1.00 4.22 N ATOM 2484 OXT LYS A 155 -23.979 -4.962 -13.508 1.00 3.60 O ATOM 0 H LYS A 155 -20.918 -4.641 -10.512 1.00 1.82 H new ATOM 0 HA LYS A 155 -21.653 -5.641 -13.004 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -22.855 -7.361 -11.708 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -21.237 -7.078 -11.096 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -23.542 -5.621 -9.822 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -23.309 -7.321 -9.461 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -20.957 -6.834 -8.763 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -21.223 -5.133 -9.088 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -23.004 -5.046 -7.390 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -22.866 -6.771 -7.115 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -21.107 -6.492 -5.797 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -20.358 -5.378 -6.837 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -21.545 -4.853 -5.742 1.00 4.22 H new