USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1029 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 117 SER OG : rot -108:sc= 1.09 USER MOD Set 1.2: A 121 HIS : no HD1:sc= 0.893 K(o=2,f=-2.5) USER MOD Set 2.1: A 52 LYS NZ :NH3+ 175:sc= 0.184 (180deg=0.144) USER MOD Set 2.2: A 78 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 60 SER OG : rot 42:sc= 0.967 USER MOD Set 3.2: A 90 TYR OH : rot 30:sc= 0.837 USER MOD Set 4.1: A 56 LYS NZ :NH3+ -168:sc= 0.00452 (180deg=0) USER MOD Set 4.2: A 85 SER OG : rot 109:sc= 0.00488 USER MOD Set 4.3: A 89 GLN : amide:sc= 0.00911 X(o=0.019,f=0.48) USER MOD Set 5.1: A 42 LYS NZ :NH3+ -155:sc= 0.42 (180deg=-0.253) USER MOD Set 5.2: A 65 GLN :FLIP amide:sc= 0.276 F(o=-1.4,f=0.7) USER MOD Set 6.1: A 26 TYR OH : rot -109:sc= 0.475 USER MOD Set 6.2: A 113 LYS NZ :NH3+ -169:sc= 1.29 (180deg=0.633) USER MOD Single : A 1 MET CE :methyl -140:sc= -0.129 (180deg=-0.464) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0.379 (180deg=0.371) USER MOD Single : A 3 LYS NZ :NH3+ -126:sc= 0.814 (180deg=-2.86!) USER MOD Single : A 8 SER OG : rot -122:sc= -0.105 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.013 F(o=-1.2!,f=-0.013) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -111:sc= -0.143 (180deg=-1.7!) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= 1.08 (180deg=0.735) USER MOD Single : A 29 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.2) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00197 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0188 USER MOD Single : A 32 ASN : amide:sc= 0.489 K(o=0.49,f=-0.059) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -0.0375 (180deg=-0.3) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD Single : A 48 MET CE :methyl -158:sc= -0.0341 (180deg=-1.38) USER MOD Single : A 53 THR OG1 : rot -145:sc= 0.139 USER MOD Single : A 58 SER OG : rot 67:sc= 0.919 USER MOD Single : A 64 LYS NZ :NH3+ -106:sc= 0.563 (180deg=-0.164) USER MOD Single : A 69 SER OG : rot 74:sc= 0.999 USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 0.0919 (180deg=0.0781) USER MOD Single : A 77 SER OG : rot 180:sc= -0.169 USER MOD Single : A 81 ASN : amide:sc= -0.0754 X(o=-0.075,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0588) USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= -0.0156 (180deg=-0.16) USER MOD Single : A 95 THR OG1 : rot 162:sc= -2.03 USER MOD Single : A 99 GLN : amide:sc= 0.00567 X(o=0.0057,f=-0.21) USER MOD Single : A 101 LYS NZ :NH3+ -109:sc= 0.56 (180deg=0.00543) USER MOD Single : A 105 LYS NZ :NH3+ 168:sc= 0.706 (180deg=0.613) USER MOD Single : A 120 HIS : no HE2:sc= 0.125 K(o=0.12,f=-0.89) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 123 HIS : no HE2:sc= 0.152 K(o=0.15,f=-1.3) USER MOD Single : A 124 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.481 7.659 -6.264 1.00 2.41 N ATOM 2 CA MET A 1 14.347 8.615 -5.134 1.00 22.34 C ATOM 3 C MET A 1 14.103 7.833 -3.827 1.00 0.40 C ATOM 4 O MET A 1 14.540 6.684 -3.708 1.00 61.02 O ATOM 5 CB MET A 1 13.195 9.619 -5.437 1.00 13.24 C ATOM 6 CG MET A 1 13.370 10.431 -6.728 1.00 71.13 C ATOM 7 SD MET A 1 12.057 11.643 -6.966 1.00 1.12 S ATOM 8 CE MET A 1 10.598 10.605 -7.026 1.00 24.51 C ATOM 0 H1 MET A 1 14.679 8.183 -7.140 1.00 2.41 H new ATOM 0 H2 MET A 1 15.262 7.000 -6.070 1.00 2.41 H new ATOM 0 H3 MET A 1 13.596 7.124 -6.373 1.00 2.41 H new ATOM 0 HA MET A 1 15.265 9.190 -5.012 1.00 22.34 H new ATOM 0 HB2 MET A 1 12.257 9.067 -5.496 1.00 13.24 H new ATOM 0 HB3 MET A 1 13.105 10.310 -4.599 1.00 13.24 H new ATOM 0 HG2 MET A 1 14.332 10.943 -6.704 1.00 71.13 H new ATOM 0 HG3 MET A 1 13.392 9.752 -7.580 1.00 71.13 H new ATOM 0 HE1 MET A 1 9.919 10.976 -7.794 1.00 24.51 H new ATOM 0 HE2 MET A 1 10.889 9.582 -7.263 1.00 24.51 H new ATOM 0 HE3 MET A 1 10.097 10.625 -6.058 1.00 24.51 H new ATOM 20 N GLY A 2 13.451 8.469 -2.833 1.00 53.40 N ATOM 21 CA GLY A 2 12.996 7.799 -1.605 1.00 30.24 C ATOM 22 C GLY A 2 11.515 8.053 -1.350 1.00 41.11 C ATOM 23 O GLY A 2 11.094 8.268 -0.210 1.00 21.40 O ATOM 0 H GLY A 2 13.226 9.464 -2.862 1.00 53.40 H new ATOM 0 HA2 GLY A 2 13.174 6.727 -1.686 1.00 30.24 H new ATOM 0 HA3 GLY A 2 13.579 8.156 -0.756 1.00 30.24 H new ATOM 27 N LYS A 3 10.728 8.020 -2.444 1.00 64.03 N ATOM 28 CA LYS A 3 9.283 8.314 -2.439 1.00 21.05 C ATOM 29 C LYS A 3 8.463 7.096 -1.969 1.00 14.25 C ATOM 30 O LYS A 3 8.381 6.072 -2.682 1.00 14.55 O ATOM 31 CB LYS A 3 8.839 8.760 -3.865 1.00 22.44 C ATOM 32 CG LYS A 3 7.300 8.944 -4.116 1.00 73.54 C ATOM 33 CD LYS A 3 6.703 10.347 -3.787 1.00 3.42 C ATOM 34 CE LYS A 3 6.498 10.638 -2.281 1.00 14.14 C ATOM 35 NZ LYS A 3 7.681 11.266 -1.657 1.00 45.44 N ATOM 0 H LYS A 3 11.085 7.784 -3.370 1.00 64.03 H new ATOM 0 HA LYS A 3 9.095 9.123 -1.733 1.00 21.05 H new ATOM 0 HB2 LYS A 3 9.333 9.705 -4.092 1.00 22.44 H new ATOM 0 HB3 LYS A 3 9.212 8.026 -4.579 1.00 22.44 H new ATOM 0 HG2 LYS A 3 7.097 8.724 -5.164 1.00 73.54 H new ATOM 0 HG3 LYS A 3 6.767 8.199 -3.525 1.00 73.54 H new ATOM 0 HD2 LYS A 3 7.361 11.111 -4.202 1.00 3.42 H new ATOM 0 HD3 LYS A 3 5.743 10.444 -4.294 1.00 3.42 H new ATOM 0 HE2 LYS A 3 5.635 11.292 -2.155 1.00 14.14 H new ATOM 0 HE3 LYS A 3 6.270 9.707 -1.763 1.00 14.14 H new ATOM 0 HZ1 LYS A 3 7.971 10.711 -0.827 1.00 45.44 H new ATOM 0 HZ2 LYS A 3 8.461 11.295 -2.344 1.00 45.44 H new ATOM 0 HZ3 LYS A 3 7.444 12.234 -1.361 1.00 45.44 H new ATOM 49 N VAL A 4 7.900 7.205 -0.750 1.00 55.42 N ATOM 50 CA VAL A 4 6.836 6.305 -0.271 1.00 11.43 C ATOM 51 C VAL A 4 5.486 6.944 -0.603 1.00 13.24 C ATOM 52 O VAL A 4 5.302 8.146 -0.389 1.00 21.14 O ATOM 53 CB VAL A 4 6.891 6.024 1.279 1.00 24.25 C ATOM 54 CG1 VAL A 4 5.892 4.906 1.688 1.00 11.43 C ATOM 55 CG2 VAL A 4 8.327 5.699 1.749 1.00 70.04 C ATOM 0 H VAL A 4 8.170 7.918 -0.072 1.00 55.42 H new ATOM 0 HA VAL A 4 6.977 5.346 -0.769 1.00 11.43 H new ATOM 0 HB VAL A 4 6.585 6.939 1.786 1.00 24.25 H new ATOM 0 HG11 VAL A 4 5.955 4.737 2.763 1.00 11.43 H new ATOM 0 HG12 VAL A 4 4.878 5.211 1.428 1.00 11.43 H new ATOM 0 HG13 VAL A 4 6.141 3.985 1.161 1.00 11.43 H new ATOM 0 HG21 VAL A 4 8.325 5.511 2.823 1.00 70.04 H new ATOM 0 HG22 VAL A 4 8.689 4.814 1.227 1.00 70.04 H new ATOM 0 HG23 VAL A 4 8.981 6.543 1.530 1.00 70.04 H new ATOM 65 N VAL A 5 4.557 6.155 -1.150 1.00 43.54 N ATOM 66 CA VAL A 5 3.174 6.594 -1.409 1.00 61.23 C ATOM 67 C VAL A 5 2.195 5.602 -0.768 1.00 10.44 C ATOM 68 O VAL A 5 2.304 4.399 -0.988 1.00 30.53 O ATOM 69 CB VAL A 5 2.890 6.724 -2.955 1.00 0.14 C ATOM 70 CG1 VAL A 5 1.390 6.963 -3.255 1.00 74.22 C ATOM 71 CG2 VAL A 5 3.747 7.851 -3.578 1.00 33.33 C ATOM 0 H VAL A 5 4.739 5.191 -1.428 1.00 43.54 H new ATOM 0 HA VAL A 5 3.037 7.581 -0.967 1.00 61.23 H new ATOM 0 HB VAL A 5 3.169 5.774 -3.410 1.00 0.14 H new ATOM 0 HG11 VAL A 5 1.243 7.046 -4.332 1.00 74.22 H new ATOM 0 HG12 VAL A 5 0.805 6.127 -2.872 1.00 74.22 H new ATOM 0 HG13 VAL A 5 1.065 7.885 -2.772 1.00 74.22 H new ATOM 0 HG21 VAL A 5 3.534 7.922 -4.645 1.00 33.33 H new ATOM 0 HG22 VAL A 5 3.508 8.799 -3.096 1.00 33.33 H new ATOM 0 HG23 VAL A 5 4.804 7.627 -3.433 1.00 33.33 H new ATOM 81 N PHE A 6 1.267 6.112 0.053 1.00 0.32 N ATOM 82 CA PHE A 6 0.191 5.304 0.639 1.00 60.14 C ATOM 83 C PHE A 6 -1.135 5.544 -0.113 1.00 3.11 C ATOM 84 O PHE A 6 -1.675 6.641 -0.093 1.00 74.24 O ATOM 85 CB PHE A 6 0.024 5.642 2.137 1.00 13.11 C ATOM 86 CG PHE A 6 -1.001 4.764 2.843 1.00 44.01 C ATOM 87 CD1 PHE A 6 -0.745 3.411 3.028 1.00 73.22 C ATOM 88 CD2 PHE A 6 -2.219 5.272 3.294 1.00 13.11 C ATOM 89 CE1 PHE A 6 -1.662 2.591 3.638 1.00 64.25 C ATOM 90 CE2 PHE A 6 -3.129 4.449 3.911 1.00 55.32 C ATOM 91 CZ PHE A 6 -2.850 3.106 4.071 1.00 60.01 C ATOM 0 H PHE A 6 1.242 7.094 0.329 1.00 0.32 H new ATOM 0 HA PHE A 6 0.458 4.251 0.544 1.00 60.14 H new ATOM 0 HB2 PHE A 6 0.987 5.536 2.636 1.00 13.11 H new ATOM 0 HB3 PHE A 6 -0.273 6.686 2.236 1.00 13.11 H new ATOM 0 HD1 PHE A 6 0.192 2.997 2.686 1.00 73.22 H new ATOM 0 HD2 PHE A 6 -2.448 6.319 3.157 1.00 13.11 H new ATOM 0 HE1 PHE A 6 -1.444 1.542 3.775 1.00 64.25 H new ATOM 0 HE2 PHE A 6 -4.064 4.852 4.271 1.00 55.32 H new ATOM 0 HZ PHE A 6 -3.576 2.459 4.541 1.00 60.01 H new ATOM 101 N LEU A 7 -1.628 4.509 -0.792 1.00 13.44 N ATOM 102 CA LEU A 7 -3.002 4.469 -1.328 1.00 74.23 C ATOM 103 C LEU A 7 -3.891 3.723 -0.313 1.00 63.35 C ATOM 104 O LEU A 7 -3.406 2.828 0.388 1.00 53.44 O ATOM 105 CB LEU A 7 -3.010 3.756 -2.708 1.00 4.34 C ATOM 106 CG LEU A 7 -4.409 3.551 -3.393 1.00 65.32 C ATOM 107 CD1 LEU A 7 -5.128 4.891 -3.633 1.00 73.33 C ATOM 108 CD2 LEU A 7 -4.266 2.753 -4.701 1.00 32.04 C ATOM 0 H LEU A 7 -1.088 3.667 -0.991 1.00 13.44 H new ATOM 0 HA LEU A 7 -3.387 5.478 -1.475 1.00 74.23 H new ATOM 0 HB2 LEU A 7 -2.379 4.327 -3.389 1.00 4.34 H new ATOM 0 HB3 LEU A 7 -2.545 2.778 -2.587 1.00 4.34 H new ATOM 0 HG LEU A 7 -5.029 2.972 -2.709 1.00 65.32 H new ATOM 0 HD11 LEU A 7 -6.092 4.707 -4.108 1.00 73.33 H new ATOM 0 HD12 LEU A 7 -5.284 5.396 -2.680 1.00 73.33 H new ATOM 0 HD13 LEU A 7 -4.518 5.520 -4.281 1.00 73.33 H new ATOM 0 HD21 LEU A 7 -5.247 2.624 -5.157 1.00 32.04 H new ATOM 0 HD22 LEU A 7 -3.615 3.294 -5.388 1.00 32.04 H new ATOM 0 HD23 LEU A 7 -3.834 1.776 -4.486 1.00 32.04 H new ATOM 120 N SER A 8 -5.171 4.112 -0.211 1.00 12.25 N ATOM 121 CA SER A 8 -6.155 3.423 0.647 1.00 25.42 C ATOM 122 C SER A 8 -7.575 3.644 0.107 1.00 55.22 C ATOM 123 O SER A 8 -7.783 4.427 -0.824 1.00 3.45 O ATOM 124 CB SER A 8 -6.048 3.916 2.107 1.00 4.51 C ATOM 125 OG SER A 8 -6.966 3.263 2.982 1.00 63.33 O ATOM 0 H SER A 8 -5.555 4.910 -0.718 1.00 12.25 H new ATOM 0 HA SER A 8 -5.938 2.355 0.633 1.00 25.42 H new ATOM 0 HB2 SER A 8 -5.032 3.753 2.467 1.00 4.51 H new ATOM 0 HB3 SER A 8 -6.228 4.991 2.136 1.00 4.51 H new ATOM 0 HG SER A 8 -7.536 3.932 3.416 1.00 63.33 H new ATOM 131 N ASP A 9 -8.531 2.923 0.704 1.00 1.14 N ATOM 132 CA ASP A 9 -9.968 3.028 0.411 1.00 45.41 C ATOM 133 C ASP A 9 -10.697 3.720 1.572 1.00 41.01 C ATOM 134 O ASP A 9 -11.657 4.471 1.355 1.00 0.43 O ATOM 135 CB ASP A 9 -10.547 1.613 0.176 1.00 2.33 C ATOM 136 CG ASP A 9 -12.055 1.598 -0.123 1.00 43.42 C ATOM 137 OD1 ASP A 9 -12.477 2.226 -1.123 1.00 63.43 O ATOM 138 OD2 ASP A 9 -12.821 0.945 0.617 1.00 53.05 O ATOM 0 H ASP A 9 -8.322 2.231 1.424 1.00 1.14 H new ATOM 0 HA ASP A 9 -10.112 3.627 -0.488 1.00 45.41 H new ATOM 0 HB2 ASP A 9 -10.017 1.148 -0.655 1.00 2.33 H new ATOM 0 HB3 ASP A 9 -10.355 1.002 1.058 1.00 2.33 H new ATOM 143 N ASP A 10 -10.232 3.458 2.808 1.00 72.23 N ATOM 144 CA ASP A 10 -10.851 4.003 4.037 1.00 71.20 C ATOM 145 C ASP A 10 -10.122 5.294 4.451 1.00 3.20 C ATOM 146 O ASP A 10 -8.886 5.298 4.529 1.00 23.05 O ATOM 147 CB ASP A 10 -10.779 2.998 5.220 1.00 73.41 C ATOM 148 CG ASP A 10 -11.017 1.528 4.839 1.00 42.55 C ATOM 149 OD1 ASP A 10 -10.091 0.892 4.269 1.00 60.24 O ATOM 150 OD2 ASP A 10 -12.103 0.983 5.137 1.00 21.23 O ATOM 0 H ASP A 10 -9.421 2.866 2.985 1.00 72.23 H new ATOM 0 HA ASP A 10 -11.900 4.200 3.814 1.00 71.20 H new ATOM 0 HB2 ASP A 10 -9.799 3.082 5.689 1.00 73.41 H new ATOM 0 HB3 ASP A 10 -11.516 3.288 5.969 1.00 73.41 H new ATOM 155 N GLN A 11 -10.896 6.358 4.722 1.00 41.44 N ATOM 156 CA GLN A 11 -10.371 7.669 5.169 1.00 71.42 C ATOM 157 C GLN A 11 -9.700 7.575 6.561 1.00 72.14 C ATOM 158 O GLN A 11 -8.658 8.202 6.782 1.00 72.10 O ATOM 159 CB GLN A 11 -11.519 8.723 5.169 1.00 60.14 C ATOM 160 CG GLN A 11 -11.107 10.174 5.519 1.00 4.14 C ATOM 161 CD GLN A 11 -10.051 10.760 4.581 1.00 51.54 C ATOM 162 OE1 GLN A 11 -8.781 10.608 4.930 1.00 23.14 O flip ATOM 163 NE2 GLN A 11 -10.374 11.360 3.556 1.00 2.41 N flip ATOM 0 H GLN A 11 -11.912 6.337 4.638 1.00 41.44 H new ATOM 0 HA GLN A 11 -9.599 7.985 4.468 1.00 71.42 H new ATOM 0 HB2 GLN A 11 -11.983 8.726 4.183 1.00 60.14 H new ATOM 0 HB3 GLN A 11 -12.281 8.401 5.879 1.00 60.14 H new ATOM 0 HG2 GLN A 11 -11.993 10.809 5.495 1.00 4.14 H new ATOM 0 HG3 GLN A 11 -10.726 10.197 6.540 1.00 4.14 H new ATOM 0 HE21 GLN A 11 -11.360 11.461 3.313 1.00 2.41 H new ATOM 0 HE22 GLN A 11 -9.656 11.756 2.949 1.00 2.41 H new ATOM 172 N GLU A 12 -10.316 6.783 7.481 1.00 63.41 N ATOM 173 CA GLU A 12 -9.771 6.495 8.831 1.00 53.25 C ATOM 174 C GLU A 12 -8.304 6.025 8.745 1.00 1.34 C ATOM 175 O GLU A 12 -7.421 6.563 9.421 1.00 32.41 O ATOM 176 CB GLU A 12 -10.620 5.394 9.538 1.00 35.33 C ATOM 177 CG GLU A 12 -12.056 5.805 9.924 1.00 63.52 C ATOM 178 CD GLU A 12 -12.114 6.864 11.043 1.00 64.52 C ATOM 179 OE1 GLU A 12 -12.838 7.873 10.900 1.00 63.53 O ATOM 180 OE2 GLU A 12 -11.434 6.679 12.080 1.00 42.24 O ATOM 0 H GLU A 12 -11.210 6.325 7.302 1.00 63.41 H new ATOM 0 HA GLU A 12 -9.815 7.418 9.410 1.00 53.25 H new ATOM 0 HB2 GLU A 12 -10.674 4.525 8.882 1.00 35.33 H new ATOM 0 HB3 GLU A 12 -10.096 5.080 10.441 1.00 35.33 H new ATOM 0 HG2 GLU A 12 -12.564 6.193 9.041 1.00 63.52 H new ATOM 0 HG3 GLU A 12 -12.605 4.919 10.244 1.00 63.52 H new ATOM 187 N ILE A 13 -8.101 4.998 7.903 1.00 64.31 N ATOM 188 CA ILE A 13 -6.790 4.414 7.606 1.00 21.31 C ATOM 189 C ILE A 13 -5.768 5.488 7.139 1.00 23.05 C ATOM 190 O ILE A 13 -4.658 5.560 7.679 1.00 50.12 O ATOM 191 CB ILE A 13 -6.920 3.314 6.490 1.00 22.41 C ATOM 192 CG1 ILE A 13 -7.904 2.160 6.887 1.00 41.51 C ATOM 193 CG2 ILE A 13 -5.548 2.750 6.135 1.00 11.05 C ATOM 194 CD1 ILE A 13 -7.476 1.268 8.015 1.00 30.01 C ATOM 0 H ILE A 13 -8.863 4.543 7.401 1.00 64.31 H new ATOM 0 HA ILE A 13 -6.424 3.968 8.531 1.00 21.31 H new ATOM 0 HB ILE A 13 -7.346 3.802 5.613 1.00 22.41 H new ATOM 0 HG12 ILE A 13 -8.863 2.606 7.151 1.00 41.51 H new ATOM 0 HG13 ILE A 13 -8.073 1.539 6.007 1.00 41.51 H new ATOM 0 HG21 ILE A 13 -5.656 1.990 5.361 1.00 11.05 H new ATOM 0 HG22 ILE A 13 -4.908 3.553 5.768 1.00 11.05 H new ATOM 0 HG23 ILE A 13 -5.098 2.304 7.022 1.00 11.05 H new ATOM 0 HD11 ILE A 13 -8.241 0.512 8.192 1.00 30.01 H new ATOM 0 HD12 ILE A 13 -6.536 0.780 7.756 1.00 30.01 H new ATOM 0 HD13 ILE A 13 -7.339 1.863 8.918 1.00 30.01 H new ATOM 206 N ILE A 14 -6.180 6.307 6.134 1.00 5.11 N ATOM 207 CA ILE A 14 -5.325 7.352 5.511 1.00 35.25 C ATOM 208 C ILE A 14 -4.762 8.302 6.585 1.00 1.33 C ATOM 209 O ILE A 14 -3.559 8.599 6.601 1.00 15.14 O ATOM 210 CB ILE A 14 -6.128 8.195 4.434 1.00 23.41 C ATOM 211 CG1 ILE A 14 -6.652 7.285 3.283 1.00 23.30 C ATOM 212 CG2 ILE A 14 -5.274 9.356 3.858 1.00 55.15 C ATOM 213 CD1 ILE A 14 -7.521 7.985 2.244 1.00 71.05 C ATOM 0 H ILE A 14 -7.117 6.260 5.733 1.00 5.11 H new ATOM 0 HA ILE A 14 -4.503 6.841 5.009 1.00 35.25 H new ATOM 0 HB ILE A 14 -6.985 8.632 4.947 1.00 23.41 H new ATOM 0 HG12 ILE A 14 -5.796 6.839 2.776 1.00 23.30 H new ATOM 0 HG13 ILE A 14 -7.225 6.467 3.720 1.00 23.30 H new ATOM 0 HG21 ILE A 14 -5.860 9.909 3.124 1.00 55.15 H new ATOM 0 HG22 ILE A 14 -4.978 10.026 4.666 1.00 55.15 H new ATOM 0 HG23 ILE A 14 -4.383 8.950 3.379 1.00 55.15 H new ATOM 0 HD11 ILE A 14 -7.834 7.266 1.487 1.00 71.05 H new ATOM 0 HD12 ILE A 14 -8.401 8.406 2.730 1.00 71.05 H new ATOM 0 HD13 ILE A 14 -6.950 8.784 1.771 1.00 71.05 H new ATOM 225 N GLU A 15 -5.659 8.732 7.493 1.00 31.54 N ATOM 226 CA GLU A 15 -5.348 9.710 8.547 1.00 4.21 C ATOM 227 C GLU A 15 -4.424 9.120 9.625 1.00 60.22 C ATOM 228 O GLU A 15 -3.622 9.850 10.192 1.00 51.21 O ATOM 229 CB GLU A 15 -6.659 10.258 9.169 1.00 60.22 C ATOM 230 CG GLU A 15 -7.551 10.989 8.147 1.00 51.15 C ATOM 231 CD GLU A 15 -8.834 11.580 8.750 1.00 5.41 C ATOM 232 OE1 GLU A 15 -8.781 12.721 9.275 1.00 43.25 O ATOM 233 OE2 GLU A 15 -9.900 10.927 8.685 1.00 41.52 O ATOM 0 H GLU A 15 -6.626 8.407 7.514 1.00 31.54 H new ATOM 0 HA GLU A 15 -4.806 10.537 8.088 1.00 4.21 H new ATOM 0 HB2 GLU A 15 -7.220 9.432 9.607 1.00 60.22 H new ATOM 0 HB3 GLU A 15 -6.411 10.941 9.981 1.00 60.22 H new ATOM 0 HG2 GLU A 15 -6.975 11.791 7.686 1.00 51.15 H new ATOM 0 HG3 GLU A 15 -7.822 10.293 7.353 1.00 51.15 H new ATOM 240 N GLU A 16 -4.533 7.801 9.879 1.00 54.41 N ATOM 241 CA GLU A 16 -3.689 7.103 10.876 1.00 15.20 C ATOM 242 C GLU A 16 -2.253 6.900 10.372 1.00 4.12 C ATOM 243 O GLU A 16 -1.294 7.005 11.148 1.00 24.23 O ATOM 244 CB GLU A 16 -4.318 5.745 11.277 1.00 31.32 C ATOM 245 CG GLU A 16 -5.569 5.883 12.154 1.00 72.11 C ATOM 246 CD GLU A 16 -5.307 6.622 13.482 1.00 24.21 C ATOM 247 OE1 GLU A 16 -4.425 6.184 14.256 1.00 5.41 O ATOM 248 OE2 GLU A 16 -5.983 7.636 13.764 1.00 42.43 O ATOM 0 H GLU A 16 -5.201 7.192 9.406 1.00 54.41 H new ATOM 0 HA GLU A 16 -3.641 7.741 11.758 1.00 15.20 H new ATOM 0 HB2 GLU A 16 -4.577 5.193 10.373 1.00 31.32 H new ATOM 0 HB3 GLU A 16 -3.574 5.153 11.810 1.00 31.32 H new ATOM 0 HG2 GLU A 16 -6.338 6.416 11.596 1.00 72.11 H new ATOM 0 HG3 GLU A 16 -5.963 4.890 12.371 1.00 72.11 H new ATOM 255 N VAL A 17 -2.119 6.588 9.079 1.00 73.43 N ATOM 256 CA VAL A 17 -0.813 6.413 8.434 1.00 43.15 C ATOM 257 C VAL A 17 -0.106 7.772 8.285 1.00 62.23 C ATOM 258 O VAL A 17 1.114 7.855 8.434 1.00 54.14 O ATOM 259 CB VAL A 17 -0.981 5.684 7.052 1.00 63.30 C ATOM 260 CG1 VAL A 17 0.353 5.600 6.270 1.00 72.23 C ATOM 261 CG2 VAL A 17 -1.586 4.274 7.271 1.00 1.53 C ATOM 0 H VAL A 17 -2.911 6.450 8.451 1.00 73.43 H new ATOM 0 HA VAL A 17 -0.183 5.783 9.062 1.00 43.15 H new ATOM 0 HB VAL A 17 -1.664 6.275 6.442 1.00 63.30 H new ATOM 0 HG11 VAL A 17 0.187 5.088 5.322 1.00 72.23 H new ATOM 0 HG12 VAL A 17 0.727 6.606 6.079 1.00 72.23 H new ATOM 0 HG13 VAL A 17 1.085 5.047 6.858 1.00 72.23 H new ATOM 0 HG21 VAL A 17 -1.700 3.774 6.309 1.00 1.53 H new ATOM 0 HG22 VAL A 17 -0.923 3.689 7.908 1.00 1.53 H new ATOM 0 HG23 VAL A 17 -2.561 4.367 7.750 1.00 1.53 H new ATOM 271 N SER A 18 -0.897 8.831 8.003 1.00 70.11 N ATOM 272 CA SER A 18 -0.404 10.219 7.936 1.00 30.15 C ATOM 273 C SER A 18 -0.014 10.741 9.341 1.00 0.11 C ATOM 274 O SER A 18 0.948 11.502 9.476 1.00 22.42 O ATOM 275 CB SER A 18 -1.470 11.132 7.283 1.00 14.31 C ATOM 276 OG SER A 18 -1.004 12.468 7.129 1.00 30.22 O ATOM 0 H SER A 18 -1.896 8.744 7.816 1.00 70.11 H new ATOM 0 HA SER A 18 0.494 10.236 7.318 1.00 30.15 H new ATOM 0 HB2 SER A 18 -1.745 10.729 6.308 1.00 14.31 H new ATOM 0 HB3 SER A 18 -2.372 11.131 7.894 1.00 14.31 H new ATOM 0 HG SER A 18 -1.704 13.013 6.712 1.00 30.22 H new ATOM 282 N LYS A 19 -0.786 10.317 10.366 1.00 51.31 N ATOM 283 CA LYS A 19 -0.527 10.617 11.780 1.00 62.15 C ATOM 284 C LYS A 19 0.843 10.073 12.206 1.00 32.31 C ATOM 285 O LYS A 19 1.676 10.813 12.734 1.00 53.20 O ATOM 286 CB LYS A 19 -1.671 9.986 12.621 1.00 52.24 C ATOM 287 CG LYS A 19 -1.571 10.134 14.141 1.00 61.24 C ATOM 288 CD LYS A 19 -1.413 11.595 14.616 1.00 14.24 C ATOM 289 CE LYS A 19 -1.761 11.753 16.100 1.00 24.44 C ATOM 290 NZ LYS A 19 -1.085 10.748 16.973 1.00 21.32 N ATOM 0 H LYS A 19 -1.620 9.747 10.225 1.00 51.31 H new ATOM 0 HA LYS A 19 -0.505 11.695 11.941 1.00 62.15 H new ATOM 0 HB2 LYS A 19 -2.614 10.427 12.298 1.00 52.24 H new ATOM 0 HB3 LYS A 19 -1.719 8.923 12.385 1.00 52.24 H new ATOM 0 HG2 LYS A 19 -2.464 9.708 14.598 1.00 61.24 H new ATOM 0 HG3 LYS A 19 -0.722 9.552 14.498 1.00 61.24 H new ATOM 0 HD2 LYS A 19 -0.388 11.923 14.446 1.00 14.24 H new ATOM 0 HD3 LYS A 19 -2.057 12.242 14.021 1.00 14.24 H new ATOM 0 HE2 LYS A 19 -1.482 12.755 16.427 1.00 24.44 H new ATOM 0 HE3 LYS A 19 -2.840 11.666 16.225 1.00 24.44 H new ATOM 0 HZ1 LYS A 19 -1.792 10.086 17.352 1.00 21.32 H new ATOM 0 HZ2 LYS A 19 -0.382 10.222 16.416 1.00 21.32 H new ATOM 0 HZ3 LYS A 19 -0.610 11.235 17.759 1.00 21.32 H new ATOM 304 N LYS A 20 1.067 8.781 11.929 1.00 62.43 N ATOM 305 CA LYS A 20 2.322 8.098 12.254 1.00 32.12 C ATOM 306 C LYS A 20 3.474 8.602 11.364 1.00 43.23 C ATOM 307 O LYS A 20 4.613 8.680 11.816 1.00 11.44 O ATOM 308 CB LYS A 20 2.139 6.570 12.147 1.00 53.30 C ATOM 309 CG LYS A 20 3.437 5.753 12.379 1.00 30.21 C ATOM 310 CD LYS A 20 3.174 4.312 12.842 1.00 22.53 C ATOM 311 CE LYS A 20 2.593 4.235 14.269 1.00 2.44 C ATOM 312 NZ LYS A 20 2.548 2.841 14.768 1.00 21.23 N ATOM 0 H LYS A 20 0.380 8.181 11.472 1.00 62.43 H new ATOM 0 HA LYS A 20 2.591 8.332 13.284 1.00 32.12 H new ATOM 0 HB2 LYS A 20 1.390 6.254 12.873 1.00 53.30 H new ATOM 0 HB3 LYS A 20 1.745 6.331 11.159 1.00 53.30 H new ATOM 0 HG2 LYS A 20 4.014 5.731 11.454 1.00 30.21 H new ATOM 0 HG3 LYS A 20 4.049 6.261 13.124 1.00 30.21 H new ATOM 0 HD2 LYS A 20 2.483 3.833 12.148 1.00 22.53 H new ATOM 0 HD3 LYS A 20 4.106 3.748 12.804 1.00 22.53 H new ATOM 0 HE2 LYS A 20 3.198 4.843 14.942 1.00 2.44 H new ATOM 0 HE3 LYS A 20 1.588 4.657 14.276 1.00 2.44 H new ATOM 0 HZ1 LYS A 20 2.415 2.846 15.799 1.00 21.23 H new ATOM 0 HZ2 LYS A 20 1.757 2.337 14.319 1.00 21.23 H new ATOM 0 HZ3 LYS A 20 3.441 2.360 14.536 1.00 21.23 H new ATOM 326 N ALA A 21 3.161 8.969 10.104 1.00 74.42 N ATOM 327 CA ALA A 21 4.148 9.558 9.174 1.00 63.15 C ATOM 328 C ALA A 21 4.692 10.890 9.714 1.00 14.50 C ATOM 329 O ALA A 21 5.876 11.197 9.562 1.00 62.32 O ATOM 330 CB ALA A 21 3.536 9.770 7.780 1.00 11.12 C ATOM 0 H ALA A 21 2.228 8.867 9.705 1.00 74.42 H new ATOM 0 HA ALA A 21 4.975 8.853 9.089 1.00 63.15 H new ATOM 0 HB1 ALA A 21 4.284 10.204 7.117 1.00 11.12 H new ATOM 0 HB2 ALA A 21 3.207 8.812 7.378 1.00 11.12 H new ATOM 0 HB3 ALA A 21 2.683 10.444 7.856 1.00 11.12 H new ATOM 336 N GLU A 22 3.802 11.660 10.354 1.00 50.33 N ATOM 337 CA GLU A 22 4.125 12.958 10.959 1.00 5.21 C ATOM 338 C GLU A 22 5.063 12.767 12.173 1.00 10.51 C ATOM 339 O GLU A 22 6.162 13.342 12.222 1.00 51.22 O ATOM 340 CB GLU A 22 2.811 13.662 11.373 1.00 43.53 C ATOM 341 CG GLU A 22 2.986 15.044 12.032 1.00 73.14 C ATOM 342 CD GLU A 22 1.647 15.666 12.444 1.00 62.53 C ATOM 343 OE1 GLU A 22 1.041 16.401 11.630 1.00 3.22 O ATOM 344 OE2 GLU A 22 1.166 15.385 13.570 1.00 41.01 O ATOM 0 H GLU A 22 2.824 11.395 10.467 1.00 50.33 H new ATOM 0 HA GLU A 22 4.648 13.583 10.235 1.00 5.21 H new ATOM 0 HB2 GLU A 22 2.184 13.776 10.488 1.00 43.53 H new ATOM 0 HB3 GLU A 22 2.272 13.013 12.064 1.00 43.53 H new ATOM 0 HG2 GLU A 22 3.624 14.947 12.910 1.00 73.14 H new ATOM 0 HG3 GLU A 22 3.497 15.713 11.339 1.00 73.14 H new ATOM 351 N GLU A 23 4.611 11.914 13.119 1.00 50.14 N ATOM 352 CA GLU A 23 5.311 11.643 14.395 1.00 10.32 C ATOM 353 C GLU A 23 6.687 10.979 14.180 1.00 1.23 C ATOM 354 O GLU A 23 7.645 11.288 14.895 1.00 21.33 O ATOM 355 CB GLU A 23 4.412 10.757 15.302 1.00 33.22 C ATOM 356 CG GLU A 23 3.049 11.396 15.635 1.00 72.34 C ATOM 357 CD GLU A 23 2.120 10.448 16.399 1.00 74.03 C ATOM 358 OE1 GLU A 23 1.526 9.545 15.770 1.00 71.01 O ATOM 359 OE2 GLU A 23 1.964 10.598 17.631 1.00 40.21 O ATOM 0 H GLU A 23 3.742 11.389 13.017 1.00 50.14 H new ATOM 0 HA GLU A 23 5.497 12.599 14.884 1.00 10.32 H new ATOM 0 HB2 GLU A 23 4.244 9.800 14.808 1.00 33.22 H new ATOM 0 HB3 GLU A 23 4.942 10.548 16.231 1.00 33.22 H new ATOM 0 HG2 GLU A 23 3.210 12.296 16.228 1.00 72.34 H new ATOM 0 HG3 GLU A 23 2.563 11.707 14.710 1.00 72.34 H new ATOM 366 N GLU A 24 6.776 10.087 13.182 1.00 13.14 N ATOM 367 CA GLU A 24 8.004 9.317 12.876 1.00 33.45 C ATOM 368 C GLU A 24 8.896 10.032 11.846 1.00 12.22 C ATOM 369 O GLU A 24 10.027 9.588 11.604 1.00 34.45 O ATOM 370 CB GLU A 24 7.624 7.908 12.351 1.00 71.55 C ATOM 371 CG GLU A 24 7.035 6.957 13.409 1.00 0.42 C ATOM 372 CD GLU A 24 8.062 6.588 14.491 1.00 12.35 C ATOM 373 OE1 GLU A 24 7.930 7.031 15.648 1.00 3.05 O ATOM 374 OE2 GLU A 24 9.029 5.866 14.173 1.00 11.44 O ATOM 0 H GLU A 24 5.998 9.874 12.558 1.00 13.14 H new ATOM 0 HA GLU A 24 8.574 9.229 13.801 1.00 33.45 H new ATOM 0 HB2 GLU A 24 6.901 8.021 11.543 1.00 71.55 H new ATOM 0 HB3 GLU A 24 8.512 7.445 11.922 1.00 71.55 H new ATOM 0 HG2 GLU A 24 6.170 7.427 13.876 1.00 0.42 H new ATOM 0 HG3 GLU A 24 6.680 6.049 12.922 1.00 0.42 H new ATOM 381 N GLY A 25 8.383 11.115 11.231 1.00 52.40 N ATOM 382 CA GLY A 25 9.129 11.868 10.216 1.00 22.24 C ATOM 383 C GLY A 25 9.304 11.112 8.906 1.00 42.12 C ATOM 384 O GLY A 25 10.305 11.299 8.208 1.00 22.03 O ATOM 0 H GLY A 25 7.452 11.485 11.423 1.00 52.40 H new ATOM 0 HA2 GLY A 25 8.612 12.807 10.018 1.00 22.24 H new ATOM 0 HA3 GLY A 25 10.111 12.123 10.613 1.00 22.24 H new ATOM 388 N TYR A 26 8.321 10.251 8.584 1.00 53.12 N ATOM 389 CA TYR A 26 8.293 9.489 7.327 1.00 12.21 C ATOM 390 C TYR A 26 7.837 10.369 6.152 1.00 64.22 C ATOM 391 O TYR A 26 6.866 11.128 6.268 1.00 12.22 O ATOM 392 CB TYR A 26 7.349 8.257 7.435 1.00 43.23 C ATOM 393 CG TYR A 26 7.842 7.119 8.338 1.00 43.34 C ATOM 394 CD1 TYR A 26 9.190 6.749 8.357 1.00 30.14 C ATOM 395 CD2 TYR A 26 6.953 6.384 9.134 1.00 72.14 C ATOM 396 CE1 TYR A 26 9.632 5.703 9.134 1.00 55.53 C ATOM 397 CE2 TYR A 26 7.398 5.337 9.916 1.00 74.30 C ATOM 398 CZ TYR A 26 8.738 5.001 9.914 1.00 53.41 C ATOM 399 OH TYR A 26 9.192 3.958 10.687 1.00 41.41 O ATOM 0 H TYR A 26 7.523 10.065 9.191 1.00 53.12 H new ATOM 0 HA TYR A 26 9.311 9.145 7.143 1.00 12.21 H new ATOM 0 HB2 TYR A 26 6.381 8.595 7.804 1.00 43.23 H new ATOM 0 HB3 TYR A 26 7.187 7.858 6.434 1.00 43.23 H new ATOM 0 HD1 TYR A 26 9.898 7.294 7.750 1.00 30.14 H new ATOM 0 HD2 TYR A 26 5.904 6.641 9.136 1.00 72.14 H new ATOM 0 HE1 TYR A 26 10.678 5.432 9.133 1.00 55.53 H new ATOM 0 HE2 TYR A 26 6.701 4.783 10.527 1.00 74.30 H new ATOM 0 HH TYR A 26 8.883 3.110 10.306 1.00 41.41 H new ATOM 409 N ASP A 27 8.554 10.245 5.029 1.00 2.22 N ATOM 410 CA ASP A 27 8.128 10.773 3.728 1.00 35.42 C ATOM 411 C ASP A 27 7.089 9.813 3.130 1.00 44.24 C ATOM 412 O ASP A 27 7.449 8.738 2.667 1.00 23.01 O ATOM 413 CB ASP A 27 9.355 10.896 2.781 1.00 61.34 C ATOM 414 CG ASP A 27 8.976 11.202 1.317 1.00 45.02 C ATOM 415 OD1 ASP A 27 8.580 12.347 1.018 1.00 64.13 O ATOM 416 OD2 ASP A 27 9.079 10.301 0.455 1.00 4.42 O ATOM 0 H ASP A 27 9.456 9.770 4.998 1.00 2.22 H new ATOM 0 HA ASP A 27 7.688 11.763 3.850 1.00 35.42 H new ATOM 0 HB2 ASP A 27 10.011 11.684 3.150 1.00 61.34 H new ATOM 0 HB3 ASP A 27 9.924 9.967 2.814 1.00 61.34 H new ATOM 421 N ILE A 28 5.796 10.174 3.214 1.00 34.32 N ATOM 422 CA ILE A 28 4.701 9.401 2.583 1.00 64.25 C ATOM 423 C ILE A 28 3.742 10.380 1.881 1.00 21.21 C ATOM 424 O ILE A 28 3.425 11.436 2.434 1.00 1.00 O ATOM 425 CB ILE A 28 3.868 8.530 3.608 1.00 14.44 C ATOM 426 CG1 ILE A 28 4.786 7.659 4.519 1.00 23.42 C ATOM 427 CG2 ILE A 28 2.861 7.631 2.854 1.00 1.33 C ATOM 428 CD1 ILE A 28 4.043 6.815 5.544 1.00 63.43 C ATOM 0 H ILE A 28 5.478 11.003 3.716 1.00 34.32 H new ATOM 0 HA ILE A 28 5.167 8.711 1.880 1.00 64.25 H new ATOM 0 HB ILE A 28 3.325 9.220 4.253 1.00 14.44 H new ATOM 0 HG12 ILE A 28 5.382 7.000 3.888 1.00 23.42 H new ATOM 0 HG13 ILE A 28 5.482 8.314 5.043 1.00 23.42 H new ATOM 0 HG21 ILE A 28 2.295 7.037 3.572 1.00 1.33 H new ATOM 0 HG22 ILE A 28 2.177 8.254 2.279 1.00 1.33 H new ATOM 0 HG23 ILE A 28 3.401 6.967 2.179 1.00 1.33 H new ATOM 0 HD11 ILE A 28 4.760 6.243 6.133 1.00 63.43 H new ATOM 0 HD12 ILE A 28 3.469 7.466 6.204 1.00 63.43 H new ATOM 0 HD13 ILE A 28 3.367 6.131 5.031 1.00 63.43 H new ATOM 440 N GLN A 29 3.303 10.026 0.665 1.00 12.33 N ATOM 441 CA GLN A 29 2.258 10.759 -0.062 1.00 50.35 C ATOM 442 C GLN A 29 0.972 9.915 -0.043 1.00 72.54 C ATOM 443 O GLN A 29 0.940 8.836 -0.629 1.00 35.43 O ATOM 444 CB GLN A 29 2.721 11.039 -1.520 1.00 51.01 C ATOM 445 CG GLN A 29 1.781 11.961 -2.315 1.00 74.33 C ATOM 446 CD GLN A 29 1.608 13.333 -1.654 1.00 43.34 C ATOM 447 OE1 GLN A 29 0.703 13.541 -0.849 1.00 42.35 O ATOM 448 NE2 GLN A 29 2.502 14.262 -1.959 1.00 12.13 N ATOM 0 H GLN A 29 3.665 9.219 0.156 1.00 12.33 H new ATOM 0 HA GLN A 29 2.066 11.720 0.415 1.00 50.35 H new ATOM 0 HB2 GLN A 29 3.714 11.487 -1.494 1.00 51.01 H new ATOM 0 HB3 GLN A 29 2.813 10.090 -2.048 1.00 51.01 H new ATOM 0 HG2 GLN A 29 2.174 12.094 -3.323 1.00 74.33 H new ATOM 0 HG3 GLN A 29 0.806 11.483 -2.414 1.00 74.33 H new ATOM 0 HE21 GLN A 29 3.241 14.057 -2.631 1.00 12.13 H new ATOM 0 HE22 GLN A 29 2.451 15.182 -1.521 1.00 12.13 H new ATOM 457 N THR A 30 -0.074 10.406 0.627 1.00 53.14 N ATOM 458 CA THR A 30 -1.325 9.646 0.827 1.00 51.40 C ATOM 459 C THR A 30 -2.376 10.034 -0.234 1.00 11.45 C ATOM 460 O THR A 30 -2.401 11.176 -0.701 1.00 72.13 O ATOM 461 CB THR A 30 -1.875 9.879 2.274 1.00 2.34 C ATOM 462 OG1 THR A 30 -1.933 11.286 2.548 1.00 74.13 O ATOM 463 CG2 THR A 30 -1.009 9.186 3.348 1.00 61.34 C ATOM 0 H THR A 30 -0.085 11.336 1.047 1.00 53.14 H new ATOM 0 HA THR A 30 -1.109 8.584 0.709 1.00 51.40 H new ATOM 0 HB THR A 30 -2.872 9.441 2.317 1.00 2.34 H new ATOM 0 HG1 THR A 30 -2.279 11.429 3.454 1.00 74.13 H new ATOM 0 HG21 THR A 30 -1.431 9.377 4.335 1.00 61.34 H new ATOM 0 HG22 THR A 30 -0.990 8.112 3.163 1.00 61.34 H new ATOM 0 HG23 THR A 30 0.007 9.579 3.306 1.00 61.34 H new ATOM 471 N SER A 31 -3.219 9.052 -0.627 1.00 10.43 N ATOM 472 CA SER A 31 -4.248 9.226 -1.670 1.00 12.12 C ATOM 473 C SER A 31 -5.353 8.153 -1.548 1.00 45.14 C ATOM 474 O SER A 31 -5.200 7.147 -0.834 1.00 1.44 O ATOM 475 CB SER A 31 -3.596 9.183 -3.080 1.00 63.21 C ATOM 476 OG SER A 31 -4.546 9.390 -4.126 1.00 2.15 O ATOM 0 H SER A 31 -3.202 8.114 -0.226 1.00 10.43 H new ATOM 0 HA SER A 31 -4.714 10.201 -1.529 1.00 12.12 H new ATOM 0 HB2 SER A 31 -2.820 9.946 -3.142 1.00 63.21 H new ATOM 0 HB3 SER A 31 -3.108 8.219 -3.222 1.00 63.21 H new ATOM 0 HG SER A 31 -4.090 9.356 -4.993 1.00 2.15 H new ATOM 482 N ASN A 32 -6.465 8.401 -2.262 1.00 54.41 N ATOM 483 CA ASN A 32 -7.659 7.528 -2.306 1.00 45.22 C ATOM 484 C ASN A 32 -8.008 7.146 -3.772 1.00 61.21 C ATOM 485 O ASN A 32 -8.892 6.314 -4.014 1.00 24.22 O ATOM 486 CB ASN A 32 -8.850 8.276 -1.635 1.00 25.41 C ATOM 487 CG ASN A 32 -10.162 7.473 -1.544 1.00 33.01 C ATOM 488 OD1 ASN A 32 -11.251 8.016 -1.753 1.00 10.40 O ATOM 489 ND2 ASN A 32 -10.084 6.204 -1.174 1.00 32.24 N ATOM 0 H ASN A 32 -6.564 9.235 -2.841 1.00 54.41 H new ATOM 0 HA ASN A 32 -7.455 6.604 -1.765 1.00 45.22 H new ATOM 0 HB2 ASN A 32 -8.552 8.570 -0.629 1.00 25.41 H new ATOM 0 HB3 ASN A 32 -9.042 9.193 -2.192 1.00 25.41 H new ATOM 0 HD21 ASN A 32 -10.935 5.654 -1.056 1.00 32.24 H new ATOM 0 HD22 ASN A 32 -9.173 5.777 -1.007 1.00 32.24 H new ATOM 496 N ASP A 33 -7.292 7.728 -4.752 1.00 61.23 N ATOM 497 CA ASP A 33 -7.594 7.541 -6.194 1.00 34.23 C ATOM 498 C ASP A 33 -6.572 6.582 -6.832 1.00 11.22 C ATOM 499 O ASP A 33 -5.391 6.919 -6.942 1.00 12.00 O ATOM 500 CB ASP A 33 -7.590 8.918 -6.912 1.00 35.34 C ATOM 501 CG ASP A 33 -7.967 8.849 -8.405 1.00 31.04 C ATOM 502 OD1 ASP A 33 -8.992 8.229 -8.740 1.00 2.54 O ATOM 503 OD2 ASP A 33 -7.265 9.452 -9.250 1.00 4.02 O ATOM 0 H ASP A 33 -6.493 8.337 -4.575 1.00 61.23 H new ATOM 0 HA ASP A 33 -8.584 7.097 -6.301 1.00 34.23 H new ATOM 0 HB2 ASP A 33 -8.287 9.584 -6.403 1.00 35.34 H new ATOM 0 HB3 ASP A 33 -6.599 9.362 -6.818 1.00 35.34 H new ATOM 508 N LYS A 34 -7.046 5.377 -7.217 1.00 21.45 N ATOM 509 CA LYS A 34 -6.207 4.298 -7.783 1.00 22.15 C ATOM 510 C LYS A 34 -5.455 4.751 -9.059 1.00 41.33 C ATOM 511 O LYS A 34 -4.276 4.451 -9.214 1.00 40.33 O ATOM 512 CB LYS A 34 -7.069 3.019 -8.084 1.00 61.51 C ATOM 513 CG LYS A 34 -7.864 3.048 -9.421 1.00 14.11 C ATOM 514 CD LYS A 34 -8.774 1.823 -9.647 1.00 12.41 C ATOM 515 CE LYS A 34 -10.041 1.846 -8.771 1.00 44.23 C ATOM 516 NZ LYS A 34 -10.881 3.050 -9.009 1.00 2.11 N ATOM 0 H LYS A 34 -8.031 5.124 -7.143 1.00 21.45 H new ATOM 0 HA LYS A 34 -5.458 4.051 -7.031 1.00 22.15 H new ATOM 0 HB2 LYS A 34 -6.410 2.151 -8.092 1.00 61.51 H new ATOM 0 HB3 LYS A 34 -7.774 2.876 -7.265 1.00 61.51 H new ATOM 0 HG2 LYS A 34 -8.476 3.950 -9.446 1.00 14.11 H new ATOM 0 HG3 LYS A 34 -7.158 3.119 -10.248 1.00 14.11 H new ATOM 0 HD2 LYS A 34 -9.065 1.782 -10.697 1.00 12.41 H new ATOM 0 HD3 LYS A 34 -8.210 0.914 -9.437 1.00 12.41 H new ATOM 0 HE2 LYS A 34 -10.631 0.951 -8.969 1.00 44.23 H new ATOM 0 HE3 LYS A 34 -9.752 1.811 -7.721 1.00 44.23 H new ATOM 0 HZ1 LYS A 34 -11.830 2.895 -8.613 1.00 2.11 H new ATOM 0 HZ2 LYS A 34 -10.445 3.874 -8.549 1.00 2.11 H new ATOM 0 HZ3 LYS A 34 -10.957 3.224 -10.032 1.00 2.11 H new ATOM 530 N LYS A 35 -6.142 5.519 -9.937 1.00 50.24 N ATOM 531 CA LYS A 35 -5.641 5.831 -11.296 1.00 2.55 C ATOM 532 C LYS A 35 -4.611 6.968 -11.247 1.00 74.20 C ATOM 533 O LYS A 35 -3.781 7.109 -12.155 1.00 32.52 O ATOM 534 CB LYS A 35 -6.798 6.181 -12.256 1.00 13.44 C ATOM 535 CG LYS A 35 -7.564 7.475 -11.923 1.00 3.34 C ATOM 536 CD LYS A 35 -8.639 7.815 -12.978 1.00 60.33 C ATOM 537 CE LYS A 35 -9.355 9.146 -12.704 1.00 44.24 C ATOM 538 NZ LYS A 35 -10.302 9.492 -13.797 1.00 43.21 N ATOM 0 H LYS A 35 -7.049 5.936 -9.727 1.00 50.24 H new ATOM 0 HA LYS A 35 -5.149 4.938 -11.682 1.00 2.55 H new ATOM 0 HB2 LYS A 35 -6.397 6.266 -13.266 1.00 13.44 H new ATOM 0 HB3 LYS A 35 -7.505 5.352 -12.263 1.00 13.44 H new ATOM 0 HG2 LYS A 35 -8.038 7.372 -10.947 1.00 3.34 H new ATOM 0 HG3 LYS A 35 -6.858 8.302 -11.849 1.00 3.34 H new ATOM 0 HD2 LYS A 35 -8.173 7.856 -13.962 1.00 60.33 H new ATOM 0 HD3 LYS A 35 -9.376 7.013 -13.008 1.00 60.33 H new ATOM 0 HE2 LYS A 35 -9.896 9.081 -11.760 1.00 44.24 H new ATOM 0 HE3 LYS A 35 -8.617 9.941 -12.595 1.00 44.24 H new ATOM 0 HZ1 LYS A 35 -10.768 10.396 -13.580 1.00 43.21 H new ATOM 0 HZ2 LYS A 35 -9.781 9.578 -14.693 1.00 43.21 H new ATOM 0 HZ3 LYS A 35 -11.020 8.745 -13.884 1.00 43.21 H new ATOM 552 N GLU A 36 -4.706 7.785 -10.176 1.00 31.30 N ATOM 553 CA GLU A 36 -3.674 8.761 -9.798 1.00 31.43 C ATOM 554 C GLU A 36 -2.357 8.015 -9.595 1.00 11.23 C ATOM 555 O GLU A 36 -1.367 8.268 -10.276 1.00 23.13 O ATOM 556 CB GLU A 36 -4.090 9.485 -8.479 1.00 42.53 C ATOM 557 CG GLU A 36 -3.085 10.514 -7.918 1.00 14.30 C ATOM 558 CD GLU A 36 -2.858 11.717 -8.846 1.00 35.41 C ATOM 559 OE1 GLU A 36 -1.778 11.823 -9.463 1.00 50.12 O ATOM 560 OE2 GLU A 36 -3.777 12.557 -8.974 1.00 61.42 O ATOM 0 H GLU A 36 -5.509 7.782 -9.548 1.00 31.30 H new ATOM 0 HA GLU A 36 -3.559 9.510 -10.582 1.00 31.43 H new ATOM 0 HB2 GLU A 36 -5.039 9.993 -8.652 1.00 42.53 H new ATOM 0 HB3 GLU A 36 -4.268 8.728 -7.715 1.00 42.53 H new ATOM 0 HG2 GLU A 36 -3.444 10.872 -6.953 1.00 14.30 H new ATOM 0 HG3 GLU A 36 -2.131 10.018 -7.739 1.00 14.30 H new ATOM 567 N ILE A 37 -2.435 7.023 -8.705 1.00 54.55 N ATOM 568 CA ILE A 37 -1.296 6.238 -8.237 1.00 40.43 C ATOM 569 C ILE A 37 -0.648 5.424 -9.374 1.00 20.35 C ATOM 570 O ILE A 37 0.576 5.437 -9.517 1.00 63.25 O ATOM 571 CB ILE A 37 -1.766 5.300 -7.073 1.00 73.11 C ATOM 572 CG1 ILE A 37 -2.374 6.139 -5.900 1.00 43.20 C ATOM 573 CG2 ILE A 37 -0.631 4.395 -6.581 1.00 51.24 C ATOM 574 CD1 ILE A 37 -1.480 7.240 -5.366 1.00 71.43 C ATOM 0 H ILE A 37 -3.317 6.738 -8.280 1.00 54.55 H new ATOM 0 HA ILE A 37 -0.530 6.922 -7.871 1.00 40.43 H new ATOM 0 HB ILE A 37 -2.547 4.648 -7.465 1.00 73.11 H new ATOM 0 HG12 ILE A 37 -3.309 6.584 -6.239 1.00 43.20 H new ATOM 0 HG13 ILE A 37 -2.621 5.464 -5.081 1.00 43.20 H new ATOM 0 HG21 ILE A 37 -0.996 3.760 -5.774 1.00 51.24 H new ATOM 0 HG22 ILE A 37 -0.280 3.771 -7.403 1.00 51.24 H new ATOM 0 HG23 ILE A 37 0.192 5.009 -6.215 1.00 51.24 H new ATOM 0 HD11 ILE A 37 -1.990 7.763 -4.557 1.00 71.43 H new ATOM 0 HD12 ILE A 37 -0.553 6.806 -4.990 1.00 71.43 H new ATOM 0 HD13 ILE A 37 -1.252 7.944 -6.166 1.00 71.43 H new ATOM 586 N ILE A 38 -1.497 4.756 -10.181 1.00 52.21 N ATOM 587 CA ILE A 38 -1.071 3.932 -11.334 1.00 10.22 C ATOM 588 C ILE A 38 -0.244 4.772 -12.327 1.00 34.35 C ATOM 589 O ILE A 38 0.788 4.313 -12.827 1.00 51.31 O ATOM 590 CB ILE A 38 -2.328 3.292 -12.049 1.00 64.30 C ATOM 591 CG1 ILE A 38 -3.016 2.254 -11.105 1.00 12.52 C ATOM 592 CG2 ILE A 38 -1.976 2.649 -13.415 1.00 34.45 C ATOM 593 CD1 ILE A 38 -4.317 1.675 -11.636 1.00 42.14 C ATOM 0 H ILE A 38 -2.508 4.773 -10.050 1.00 52.21 H new ATOM 0 HA ILE A 38 -0.438 3.124 -10.966 1.00 10.22 H new ATOM 0 HB ILE A 38 -3.027 4.102 -12.259 1.00 64.30 H new ATOM 0 HG12 ILE A 38 -2.320 1.436 -10.918 1.00 12.52 H new ATOM 0 HG13 ILE A 38 -3.212 2.731 -10.145 1.00 12.52 H new ATOM 0 HG21 ILE A 38 -2.876 2.226 -13.861 1.00 34.45 H new ATOM 0 HG22 ILE A 38 -1.565 3.409 -14.080 1.00 34.45 H new ATOM 0 HG23 ILE A 38 -1.239 1.860 -13.267 1.00 34.45 H new ATOM 0 HD11 ILE A 38 -4.721 0.965 -10.914 1.00 42.14 H new ATOM 0 HD12 ILE A 38 -5.035 2.479 -11.795 1.00 42.14 H new ATOM 0 HD13 ILE A 38 -4.129 1.164 -12.581 1.00 42.14 H new ATOM 605 N ASP A 39 -0.698 6.020 -12.561 1.00 25.24 N ATOM 606 CA ASP A 39 -0.050 6.951 -13.500 1.00 52.42 C ATOM 607 C ASP A 39 1.325 7.404 -12.964 1.00 1.33 C ATOM 608 O ASP A 39 2.261 7.592 -13.740 1.00 11.23 O ATOM 609 CB ASP A 39 -0.963 8.177 -13.772 1.00 74.30 C ATOM 610 CG ASP A 39 -0.523 8.984 -15.008 1.00 3.44 C ATOM 611 OD1 ASP A 39 0.162 10.017 -14.862 1.00 1.34 O ATOM 612 OD2 ASP A 39 -0.848 8.573 -16.139 1.00 32.41 O ATOM 0 H ASP A 39 -1.523 6.408 -12.104 1.00 25.24 H new ATOM 0 HA ASP A 39 0.110 6.426 -14.442 1.00 52.42 H new ATOM 0 HB2 ASP A 39 -1.989 7.837 -13.912 1.00 74.30 H new ATOM 0 HB3 ASP A 39 -0.960 8.828 -12.898 1.00 74.30 H new ATOM 617 N ARG A 40 1.438 7.531 -11.628 1.00 55.23 N ATOM 618 CA ARG A 40 2.682 7.962 -10.945 1.00 34.35 C ATOM 619 C ARG A 40 3.706 6.816 -10.887 1.00 71.23 C ATOM 620 O ARG A 40 4.922 7.057 -10.870 1.00 33.14 O ATOM 621 CB ARG A 40 2.344 8.483 -9.533 1.00 24.43 C ATOM 622 CG ARG A 40 1.315 9.627 -9.551 1.00 52.21 C ATOM 623 CD ARG A 40 0.759 9.964 -8.169 1.00 50.44 C ATOM 624 NE ARG A 40 1.782 10.497 -7.259 1.00 73.53 N ATOM 625 CZ ARG A 40 1.574 11.451 -6.342 1.00 72.53 C ATOM 626 NH1 ARG A 40 0.373 12.006 -6.198 1.00 2.35 N ATOM 627 NH2 ARG A 40 2.572 11.838 -5.567 1.00 64.42 N ATOM 0 H ARG A 40 0.669 7.338 -10.986 1.00 55.23 H new ATOM 0 HA ARG A 40 3.137 8.771 -11.516 1.00 34.35 H new ATOM 0 HB2 ARG A 40 1.957 7.661 -8.930 1.00 24.43 H new ATOM 0 HB3 ARG A 40 3.258 8.830 -9.050 1.00 24.43 H new ATOM 0 HG2 ARG A 40 1.780 10.517 -9.975 1.00 52.21 H new ATOM 0 HG3 ARG A 40 0.491 9.354 -10.210 1.00 52.21 H new ATOM 0 HD2 ARG A 40 -0.044 10.694 -8.273 1.00 50.44 H new ATOM 0 HD3 ARG A 40 0.320 9.068 -7.730 1.00 50.44 H new ATOM 0 HE ARG A 40 2.723 10.111 -7.331 1.00 73.53 H new ATOM 0 HH11 ARG A 40 -0.402 11.706 -6.790 1.00 2.35 H new ATOM 0 HH12 ARG A 40 0.227 12.732 -5.496 1.00 2.35 H new ATOM 0 HH21 ARG A 40 3.493 11.411 -5.670 1.00 64.42 H new ATOM 0 HH22 ARG A 40 2.422 12.564 -4.866 1.00 64.42 H new ATOM 641 N LEU A 41 3.189 5.572 -10.849 1.00 42.44 N ATOM 642 CA LEU A 41 3.991 4.353 -11.018 1.00 14.12 C ATOM 643 C LEU A 41 4.588 4.327 -12.440 1.00 44.11 C ATOM 644 O LEU A 41 5.751 3.978 -12.618 1.00 34.04 O ATOM 645 CB LEU A 41 3.118 3.094 -10.747 1.00 23.12 C ATOM 646 CG LEU A 41 2.606 2.922 -9.276 1.00 20.15 C ATOM 647 CD1 LEU A 41 1.522 1.833 -9.156 1.00 32.31 C ATOM 648 CD2 LEU A 41 3.775 2.630 -8.321 1.00 32.32 C ATOM 0 H LEU A 41 2.197 5.388 -10.699 1.00 42.44 H new ATOM 0 HA LEU A 41 4.810 4.349 -10.299 1.00 14.12 H new ATOM 0 HB2 LEU A 41 2.254 3.125 -11.411 1.00 23.12 H new ATOM 0 HB3 LEU A 41 3.696 2.210 -11.016 1.00 23.12 H new ATOM 0 HG LEU A 41 2.145 3.867 -8.988 1.00 20.15 H new ATOM 0 HD11 LEU A 41 1.200 1.753 -8.118 1.00 32.31 H new ATOM 0 HD12 LEU A 41 0.669 2.098 -9.781 1.00 32.31 H new ATOM 0 HD13 LEU A 41 1.929 0.877 -9.485 1.00 32.31 H new ATOM 0 HD21 LEU A 41 3.395 2.514 -7.306 1.00 32.32 H new ATOM 0 HD22 LEU A 41 4.275 1.711 -8.628 1.00 32.32 H new ATOM 0 HD23 LEU A 41 4.485 3.457 -8.351 1.00 32.32 H new ATOM 660 N LYS A 42 3.774 4.749 -13.440 1.00 63.41 N ATOM 661 CA LYS A 42 4.201 4.876 -14.858 1.00 70.43 C ATOM 662 C LYS A 42 5.282 5.965 -15.032 1.00 21.11 C ATOM 663 O LYS A 42 6.180 5.833 -15.877 1.00 54.43 O ATOM 664 CB LYS A 42 2.988 5.202 -15.768 1.00 14.14 C ATOM 665 CG LYS A 42 1.923 4.096 -15.829 1.00 31.23 C ATOM 666 CD LYS A 42 0.658 4.524 -16.607 1.00 42.31 C ATOM 667 CE LYS A 42 -0.313 3.357 -16.851 1.00 15.34 C ATOM 668 NZ LYS A 42 0.295 2.303 -17.707 1.00 71.12 N ATOM 0 H LYS A 42 2.800 5.012 -13.286 1.00 63.41 H new ATOM 0 HA LYS A 42 4.628 3.917 -15.152 1.00 70.43 H new ATOM 0 HB2 LYS A 42 2.520 6.120 -15.413 1.00 14.14 H new ATOM 0 HB3 LYS A 42 3.349 5.397 -16.778 1.00 14.14 H new ATOM 0 HG2 LYS A 42 2.351 3.211 -16.300 1.00 31.23 H new ATOM 0 HG3 LYS A 42 1.642 3.813 -14.815 1.00 31.23 H new ATOM 0 HD2 LYS A 42 0.144 5.309 -16.052 1.00 42.31 H new ATOM 0 HD3 LYS A 42 0.953 4.952 -17.565 1.00 42.31 H new ATOM 0 HE2 LYS A 42 -0.608 2.924 -15.895 1.00 15.34 H new ATOM 0 HE3 LYS A 42 -1.220 3.732 -17.325 1.00 15.34 H new ATOM 0 HZ1 LYS A 42 -0.457 1.773 -18.192 1.00 71.12 H new ATOM 0 HZ2 LYS A 42 0.918 2.745 -18.413 1.00 71.12 H new ATOM 0 HZ3 LYS A 42 0.850 1.652 -17.115 1.00 71.12 H new ATOM 682 N ARG A 43 5.188 7.036 -14.211 1.00 50.33 N ATOM 683 CA ARG A 43 6.180 8.141 -14.187 1.00 22.30 C ATOM 684 C ARG A 43 7.518 7.676 -13.561 1.00 5.40 C ATOM 685 O ARG A 43 8.519 8.409 -13.620 1.00 62.35 O ATOM 686 CB ARG A 43 5.628 9.348 -13.380 1.00 55.41 C ATOM 687 CG ARG A 43 4.313 9.954 -13.919 1.00 64.40 C ATOM 688 CD ARG A 43 3.705 11.003 -12.966 1.00 25.12 C ATOM 689 NE ARG A 43 2.312 11.317 -13.308 1.00 12.24 N ATOM 690 CZ ARG A 43 1.503 12.138 -12.613 1.00 63.13 C ATOM 691 NH1 ARG A 43 1.935 12.759 -11.521 1.00 65.03 N ATOM 692 NH2 ARG A 43 0.255 12.300 -13.003 1.00 71.45 N ATOM 0 H ARG A 43 4.424 7.161 -13.547 1.00 50.33 H new ATOM 0 HA ARG A 43 6.361 8.445 -15.218 1.00 22.30 H new ATOM 0 HB2 ARG A 43 5.468 9.032 -12.349 1.00 55.41 H new ATOM 0 HB3 ARG A 43 6.388 10.129 -13.360 1.00 55.41 H new ATOM 0 HG2 ARG A 43 4.501 10.416 -14.888 1.00 64.40 H new ATOM 0 HG3 ARG A 43 3.590 9.155 -14.082 1.00 64.40 H new ATOM 0 HD2 ARG A 43 3.752 10.632 -11.942 1.00 25.12 H new ATOM 0 HD3 ARG A 43 4.301 11.915 -13.003 1.00 25.12 H new ATOM 0 HE ARG A 43 1.925 10.876 -14.142 1.00 12.24 H new ATOM 0 HH11 ARG A 43 2.892 12.617 -11.198 1.00 65.03 H new ATOM 0 HH12 ARG A 43 1.310 13.378 -11.005 1.00 65.03 H new ATOM 0 HH21 ARG A 43 -0.091 11.805 -13.825 1.00 71.45 H new ATOM 0 HH22 ARG A 43 -0.366 12.920 -12.483 1.00 71.45 H new ATOM 706 N ARG A 44 7.491 6.472 -12.933 1.00 51.02 N ATOM 707 CA ARG A 44 8.621 5.863 -12.214 1.00 10.45 C ATOM 708 C ARG A 44 8.958 6.680 -10.942 1.00 53.21 C ATOM 709 O ARG A 44 10.056 6.578 -10.386 1.00 3.52 O ATOM 710 CB ARG A 44 9.859 5.682 -13.161 1.00 42.44 C ATOM 711 CG ARG A 44 10.802 4.527 -12.770 1.00 41.23 C ATOM 712 CD ARG A 44 10.126 3.158 -12.935 1.00 14.33 C ATOM 713 NE ARG A 44 9.704 2.899 -14.332 1.00 45.53 N ATOM 714 CZ ARG A 44 8.473 2.517 -14.716 1.00 64.05 C ATOM 715 NH1 ARG A 44 7.500 2.353 -13.834 1.00 24.14 N ATOM 716 NH2 ARG A 44 8.214 2.297 -15.988 1.00 70.53 N ATOM 0 H ARG A 44 6.655 5.888 -12.917 1.00 51.02 H new ATOM 0 HA ARG A 44 8.333 4.864 -11.886 1.00 10.45 H new ATOM 0 HB2 ARG A 44 9.501 5.514 -14.177 1.00 42.44 H new ATOM 0 HB3 ARG A 44 10.429 6.611 -13.174 1.00 42.44 H new ATOM 0 HG2 ARG A 44 11.700 4.566 -13.387 1.00 41.23 H new ATOM 0 HG3 ARG A 44 11.121 4.653 -11.735 1.00 41.23 H new ATOM 0 HD2 ARG A 44 10.814 2.375 -12.616 1.00 14.33 H new ATOM 0 HD3 ARG A 44 9.256 3.104 -12.280 1.00 14.33 H new ATOM 0 HE ARG A 44 10.405 3.021 -15.063 1.00 45.53 H new ATOM 0 HH11 ARG A 44 7.677 2.517 -12.843 1.00 24.14 H new ATOM 0 HH12 ARG A 44 6.573 2.063 -14.145 1.00 24.14 H new ATOM 0 HH21 ARG A 44 8.948 2.416 -16.686 1.00 70.53 H new ATOM 0 HH22 ARG A 44 7.279 2.007 -16.275 1.00 70.53 H new ATOM 730 N ASN A 45 7.968 7.471 -10.475 1.00 44.31 N ATOM 731 CA ASN A 45 8.121 8.410 -9.348 1.00 3.33 C ATOM 732 C ASN A 45 8.024 7.708 -7.986 1.00 51.53 C ATOM 733 O ASN A 45 8.547 8.215 -7.003 1.00 31.34 O ATOM 734 CB ASN A 45 7.066 9.558 -9.454 1.00 55.24 C ATOM 735 CG ASN A 45 7.421 10.671 -10.460 1.00 30.20 C ATOM 736 OD1 ASN A 45 6.964 11.806 -10.307 1.00 31.32 O ATOM 737 ND2 ASN A 45 8.242 10.388 -11.472 1.00 51.00 N ATOM 0 H ASN A 45 7.030 7.474 -10.876 1.00 44.31 H new ATOM 0 HA ASN A 45 9.122 8.837 -9.414 1.00 3.33 H new ATOM 0 HB2 ASN A 45 6.106 9.125 -9.736 1.00 55.24 H new ATOM 0 HB3 ASN A 45 6.937 10.006 -8.469 1.00 55.24 H new ATOM 0 HD21 ASN A 45 8.502 11.117 -12.137 1.00 51.00 H new ATOM 0 HD22 ASN A 45 8.610 9.443 -11.582 1.00 51.00 H new ATOM 744 N ILE A 46 7.357 6.544 -7.938 1.00 52.32 N ATOM 745 CA ILE A 46 7.088 5.832 -6.667 1.00 61.41 C ATOM 746 C ILE A 46 8.101 4.681 -6.487 1.00 13.20 C ATOM 747 O ILE A 46 8.145 3.747 -7.301 1.00 60.32 O ATOM 748 CB ILE A 46 5.612 5.294 -6.610 1.00 75.01 C ATOM 749 CG1 ILE A 46 4.597 6.446 -6.927 1.00 63.13 C ATOM 750 CG2 ILE A 46 5.311 4.638 -5.239 1.00 72.13 C ATOM 751 CD1 ILE A 46 3.123 6.061 -6.860 1.00 53.05 C ATOM 0 H ILE A 46 6.991 6.071 -8.764 1.00 52.32 H new ATOM 0 HA ILE A 46 7.206 6.539 -5.846 1.00 61.41 H new ATOM 0 HB ILE A 46 5.497 4.523 -7.372 1.00 75.01 H new ATOM 0 HG12 ILE A 46 4.773 7.264 -6.228 1.00 63.13 H new ATOM 0 HG13 ILE A 46 4.809 6.829 -7.925 1.00 63.13 H new ATOM 0 HG21 ILE A 46 4.283 4.275 -5.227 1.00 72.13 H new ATOM 0 HG22 ILE A 46 5.993 3.803 -5.078 1.00 72.13 H new ATOM 0 HG23 ILE A 46 5.445 5.374 -4.446 1.00 72.13 H new ATOM 0 HD11 ILE A 46 2.509 6.930 -7.096 1.00 53.05 H new ATOM 0 HD12 ILE A 46 2.921 5.268 -7.580 1.00 53.05 H new ATOM 0 HD13 ILE A 46 2.884 5.710 -5.856 1.00 53.05 H new ATOM 763 N ASP A 47 8.914 4.783 -5.421 1.00 73.35 N ATOM 764 CA ASP A 47 10.003 3.822 -5.106 1.00 63.13 C ATOM 765 C ASP A 47 9.489 2.665 -4.251 1.00 35.32 C ATOM 766 O ASP A 47 9.968 1.520 -4.363 1.00 54.31 O ATOM 767 CB ASP A 47 11.149 4.555 -4.372 1.00 73.34 C ATOM 768 CG ASP A 47 11.790 5.624 -5.256 1.00 34.04 C ATOM 769 OD1 ASP A 47 12.783 5.322 -5.953 1.00 22.42 O ATOM 770 OD2 ASP A 47 11.288 6.773 -5.287 1.00 13.30 O ATOM 0 H ASP A 47 8.838 5.541 -4.742 1.00 73.35 H new ATOM 0 HA ASP A 47 10.376 3.408 -6.043 1.00 63.13 H new ATOM 0 HB2 ASP A 47 10.763 5.017 -3.463 1.00 73.34 H new ATOM 0 HB3 ASP A 47 11.906 3.833 -4.066 1.00 73.34 H new ATOM 775 N MET A 48 8.545 2.984 -3.366 1.00 53.30 N ATOM 776 CA MET A 48 7.856 1.998 -2.530 1.00 21.12 C ATOM 777 C MET A 48 6.451 2.514 -2.203 1.00 14.34 C ATOM 778 O MET A 48 6.244 3.716 -2.036 1.00 13.20 O ATOM 779 CB MET A 48 8.689 1.677 -1.262 1.00 61.54 C ATOM 780 CG MET A 48 9.076 2.890 -0.410 1.00 44.14 C ATOM 781 SD MET A 48 10.303 2.500 0.863 1.00 23.31 S ATOM 782 CE MET A 48 9.527 1.136 1.726 1.00 15.41 C ATOM 0 H MET A 48 8.233 3.942 -3.207 1.00 53.30 H new ATOM 0 HA MET A 48 7.750 1.057 -3.070 1.00 21.12 H new ATOM 0 HB2 MET A 48 8.123 0.983 -0.641 1.00 61.54 H new ATOM 0 HB3 MET A 48 9.600 1.162 -1.566 1.00 61.54 H new ATOM 0 HG2 MET A 48 9.470 3.672 -1.059 1.00 44.14 H new ATOM 0 HG3 MET A 48 8.182 3.292 0.066 1.00 44.14 H new ATOM 0 HE1 MET A 48 9.948 1.053 2.728 1.00 15.41 H new ATOM 0 HE2 MET A 48 8.454 1.314 1.797 1.00 15.41 H new ATOM 0 HE3 MET A 48 9.706 0.210 1.179 1.00 15.41 H new ATOM 792 N ILE A 49 5.488 1.595 -2.141 1.00 54.34 N ATOM 793 CA ILE A 49 4.059 1.924 -2.039 1.00 35.31 C ATOM 794 C ILE A 49 3.348 0.924 -1.115 1.00 43.23 C ATOM 795 O ILE A 49 3.752 -0.235 -1.010 1.00 35.20 O ATOM 796 CB ILE A 49 3.402 1.931 -3.469 1.00 72.14 C ATOM 797 CG1 ILE A 49 1.881 2.261 -3.409 1.00 63.21 C ATOM 798 CG2 ILE A 49 3.658 0.602 -4.203 1.00 33.34 C ATOM 799 CD1 ILE A 49 1.184 2.239 -4.740 1.00 0.20 C ATOM 0 H ILE A 49 5.675 0.592 -2.160 1.00 54.34 H new ATOM 0 HA ILE A 49 3.954 2.920 -1.608 1.00 35.31 H new ATOM 0 HB ILE A 49 3.879 2.727 -4.040 1.00 72.14 H new ATOM 0 HG12 ILE A 49 1.393 1.546 -2.746 1.00 63.21 H new ATOM 0 HG13 ILE A 49 1.754 3.247 -2.963 1.00 63.21 H new ATOM 0 HG21 ILE A 49 3.193 0.635 -5.188 1.00 33.34 H new ATOM 0 HG22 ILE A 49 4.731 0.448 -4.314 1.00 33.34 H new ATOM 0 HG23 ILE A 49 3.231 -0.220 -3.628 1.00 33.34 H new ATOM 0 HD11 ILE A 49 0.130 2.480 -4.603 1.00 0.20 H new ATOM 0 HD12 ILE A 49 1.641 2.974 -5.402 1.00 0.20 H new ATOM 0 HD13 ILE A 49 1.275 1.247 -5.182 1.00 0.20 H new ATOM 811 N ILE A 50 2.307 1.409 -0.421 1.00 33.24 N ATOM 812 CA ILE A 50 1.481 0.613 0.491 1.00 22.23 C ATOM 813 C ILE A 50 -0.002 0.908 0.170 1.00 1.03 C ATOM 814 O ILE A 50 -0.419 2.064 0.206 1.00 4.12 O ATOM 815 CB ILE A 50 1.822 0.960 1.990 1.00 73.01 C ATOM 816 CG1 ILE A 50 3.356 0.778 2.265 1.00 4.25 C ATOM 817 CG2 ILE A 50 0.968 0.111 2.956 1.00 62.13 C ATOM 818 CD1 ILE A 50 3.823 1.180 3.646 1.00 54.45 C ATOM 0 H ILE A 50 2.013 2.384 -0.481 1.00 33.24 H new ATOM 0 HA ILE A 50 1.681 -0.450 0.356 1.00 22.23 H new ATOM 0 HB ILE A 50 1.576 2.007 2.167 1.00 73.01 H new ATOM 0 HG12 ILE A 50 3.614 -0.269 2.104 1.00 4.25 H new ATOM 0 HG13 ILE A 50 3.911 1.360 1.529 1.00 4.25 H new ATOM 0 HG21 ILE A 50 1.220 0.367 3.985 1.00 62.13 H new ATOM 0 HG22 ILE A 50 -0.089 0.312 2.780 1.00 62.13 H new ATOM 0 HG23 ILE A 50 1.169 -0.947 2.786 1.00 62.13 H new ATOM 0 HD11 ILE A 50 4.897 1.014 3.730 1.00 54.45 H new ATOM 0 HD12 ILE A 50 3.605 2.235 3.811 1.00 54.45 H new ATOM 0 HD13 ILE A 50 3.304 0.581 4.394 1.00 54.45 H new ATOM 830 N VAL A 51 -0.779 -0.138 -0.195 1.00 3.42 N ATOM 831 CA VAL A 51 -2.202 -0.005 -0.607 1.00 54.21 C ATOM 832 C VAL A 51 -3.124 -0.772 0.366 1.00 13.22 C ATOM 833 O VAL A 51 -2.992 -1.990 0.516 1.00 30.33 O ATOM 834 CB VAL A 51 -2.423 -0.546 -2.071 1.00 41.44 C ATOM 835 CG1 VAL A 51 -3.897 -0.401 -2.536 1.00 63.11 C ATOM 836 CG2 VAL A 51 -1.465 0.139 -3.068 1.00 25.14 C ATOM 0 H VAL A 51 -0.440 -1.100 -0.213 1.00 3.42 H new ATOM 0 HA VAL A 51 -2.453 1.056 -0.582 1.00 54.21 H new ATOM 0 HB VAL A 51 -2.195 -1.612 -2.051 1.00 41.44 H new ATOM 0 HG11 VAL A 51 -3.998 -0.787 -3.550 1.00 63.11 H new ATOM 0 HG12 VAL A 51 -4.547 -0.964 -1.866 1.00 63.11 H new ATOM 0 HG13 VAL A 51 -4.182 0.651 -2.518 1.00 63.11 H new ATOM 0 HG21 VAL A 51 -1.640 -0.254 -4.069 1.00 25.14 H new ATOM 0 HG22 VAL A 51 -1.643 1.214 -3.064 1.00 25.14 H new ATOM 0 HG23 VAL A 51 -0.434 -0.059 -2.776 1.00 25.14 H new ATOM 846 N LYS A 52 -4.058 -0.044 1.016 1.00 50.54 N ATOM 847 CA LYS A 52 -5.085 -0.632 1.893 1.00 61.14 C ATOM 848 C LYS A 52 -6.458 -0.586 1.191 1.00 13.33 C ATOM 849 O LYS A 52 -7.074 0.472 1.099 1.00 12.40 O ATOM 850 CB LYS A 52 -5.118 0.133 3.248 1.00 41.21 C ATOM 851 CG LYS A 52 -6.283 -0.240 4.210 1.00 12.41 C ATOM 852 CD LYS A 52 -6.279 -1.712 4.678 1.00 71.33 C ATOM 853 CE LYS A 52 -7.373 -1.993 5.729 1.00 14.20 C ATOM 854 NZ LYS A 52 -8.727 -1.558 5.280 1.00 50.15 N ATOM 0 H LYS A 52 -4.118 0.972 0.945 1.00 50.54 H new ATOM 0 HA LYS A 52 -4.843 -1.675 2.097 1.00 61.14 H new ATOM 0 HB2 LYS A 52 -4.175 -0.042 3.765 1.00 41.21 H new ATOM 0 HB3 LYS A 52 -5.173 1.201 3.039 1.00 41.21 H new ATOM 0 HG2 LYS A 52 -6.236 0.407 5.086 1.00 12.41 H new ATOM 0 HG3 LYS A 52 -7.230 -0.033 3.711 1.00 12.41 H new ATOM 0 HD2 LYS A 52 -6.428 -2.365 3.818 1.00 71.33 H new ATOM 0 HD3 LYS A 52 -5.303 -1.955 5.098 1.00 71.33 H new ATOM 0 HE2 LYS A 52 -7.393 -3.060 5.950 1.00 14.20 H new ATOM 0 HE3 LYS A 52 -7.120 -1.480 6.657 1.00 14.20 H new ATOM 0 HZ1 LYS A 52 -9.436 -1.846 5.985 1.00 50.15 H new ATOM 0 HZ2 LYS A 52 -8.742 -0.523 5.176 1.00 50.15 H new ATOM 0 HZ3 LYS A 52 -8.949 -2.001 4.366 1.00 50.15 H new ATOM 868 N THR A 53 -6.922 -1.747 0.704 1.00 43.23 N ATOM 869 CA THR A 53 -8.260 -1.896 0.100 1.00 15.03 C ATOM 870 C THR A 53 -8.596 -3.380 -0.099 1.00 25.22 C ATOM 871 O THR A 53 -7.714 -4.243 -0.059 1.00 34.41 O ATOM 872 CB THR A 53 -8.415 -1.117 -1.267 1.00 64.44 C ATOM 873 OG1 THR A 53 -9.755 -1.255 -1.770 1.00 64.45 O ATOM 874 CG2 THR A 53 -7.433 -1.590 -2.344 1.00 11.12 C ATOM 0 H THR A 53 -6.381 -2.612 0.717 1.00 43.23 H new ATOM 0 HA THR A 53 -8.966 -1.449 0.800 1.00 15.03 H new ATOM 0 HB THR A 53 -8.190 -0.073 -1.048 1.00 64.44 H new ATOM 0 HG1 THR A 53 -9.734 -1.296 -2.749 1.00 64.45 H new ATOM 0 HG21 THR A 53 -7.591 -1.016 -3.257 1.00 11.12 H new ATOM 0 HG22 THR A 53 -6.411 -1.443 -1.995 1.00 11.12 H new ATOM 0 HG23 THR A 53 -7.598 -2.648 -2.547 1.00 11.12 H new ATOM 882 N GLU A 54 -9.891 -3.663 -0.283 1.00 3.15 N ATOM 883 CA GLU A 54 -10.399 -5.016 -0.577 1.00 34.35 C ATOM 884 C GLU A 54 -10.753 -5.161 -2.071 1.00 33.14 C ATOM 885 O GLU A 54 -11.115 -6.253 -2.523 1.00 12.04 O ATOM 886 CB GLU A 54 -11.629 -5.334 0.315 1.00 3.02 C ATOM 887 CG GLU A 54 -11.338 -5.328 1.832 1.00 13.35 C ATOM 888 CD GLU A 54 -12.551 -5.699 2.697 1.00 61.21 C ATOM 889 OE1 GLU A 54 -12.483 -6.689 3.470 1.00 55.42 O ATOM 890 OE2 GLU A 54 -13.585 -5.003 2.604 1.00 25.53 O ATOM 0 H GLU A 54 -10.625 -2.956 -0.232 1.00 3.15 H new ATOM 0 HA GLU A 54 -9.612 -5.735 -0.351 1.00 34.35 H new ATOM 0 HB2 GLU A 54 -12.412 -4.606 0.105 1.00 3.02 H new ATOM 0 HB3 GLU A 54 -12.021 -6.312 0.037 1.00 3.02 H new ATOM 0 HG2 GLU A 54 -10.528 -6.027 2.040 1.00 13.35 H new ATOM 0 HG3 GLU A 54 -10.987 -4.338 2.121 1.00 13.35 H new ATOM 897 N ASP A 55 -10.654 -4.061 -2.844 1.00 64.43 N ATOM 898 CA ASP A 55 -10.910 -4.101 -4.294 1.00 20.41 C ATOM 899 C ASP A 55 -9.689 -4.713 -5.003 1.00 44.45 C ATOM 900 O ASP A 55 -8.687 -4.020 -5.265 1.00 65.43 O ATOM 901 CB ASP A 55 -11.242 -2.695 -4.859 1.00 50.10 C ATOM 902 CG ASP A 55 -11.757 -2.758 -6.313 1.00 73.41 C ATOM 903 OD1 ASP A 55 -12.979 -2.905 -6.515 1.00 13.30 O ATOM 904 OD2 ASP A 55 -10.946 -2.706 -7.259 1.00 51.52 O ATOM 0 H ASP A 55 -10.400 -3.139 -2.489 1.00 64.43 H new ATOM 0 HA ASP A 55 -11.785 -4.724 -4.479 1.00 20.41 H new ATOM 0 HB2 ASP A 55 -11.994 -2.220 -4.229 1.00 50.10 H new ATOM 0 HB3 ASP A 55 -10.351 -2.069 -4.818 1.00 50.10 H new ATOM 909 N LYS A 56 -9.791 -6.024 -5.273 1.00 63.50 N ATOM 910 CA LYS A 56 -8.710 -6.834 -5.856 1.00 51.12 C ATOM 911 C LYS A 56 -8.274 -6.334 -7.245 1.00 13.51 C ATOM 912 O LYS A 56 -7.117 -6.535 -7.633 1.00 15.40 O ATOM 913 CB LYS A 56 -9.148 -8.311 -5.949 1.00 14.13 C ATOM 914 CG LYS A 56 -9.447 -8.981 -4.596 1.00 11.13 C ATOM 915 CD LYS A 56 -9.900 -10.449 -4.749 1.00 52.31 C ATOM 916 CE LYS A 56 -8.852 -11.348 -5.435 1.00 52.42 C ATOM 917 NZ LYS A 56 -9.379 -12.717 -5.675 1.00 70.05 N ATOM 0 H LYS A 56 -10.640 -6.559 -5.090 1.00 63.50 H new ATOM 0 HA LYS A 56 -7.850 -6.739 -5.193 1.00 51.12 H new ATOM 0 HB2 LYS A 56 -10.039 -8.373 -6.574 1.00 14.13 H new ATOM 0 HB3 LYS A 56 -8.365 -8.877 -6.454 1.00 14.13 H new ATOM 0 HG2 LYS A 56 -8.555 -8.943 -3.971 1.00 11.13 H new ATOM 0 HG3 LYS A 56 -10.223 -8.417 -4.079 1.00 11.13 H new ATOM 0 HD2 LYS A 56 -10.126 -10.856 -3.763 1.00 52.31 H new ATOM 0 HD3 LYS A 56 -10.825 -10.477 -5.326 1.00 52.31 H new ATOM 0 HE2 LYS A 56 -8.553 -10.901 -6.383 1.00 52.42 H new ATOM 0 HE3 LYS A 56 -7.958 -11.405 -4.814 1.00 52.42 H new ATOM 0 HZ1 LYS A 56 -8.597 -13.347 -5.946 1.00 70.05 H new ATOM 0 HZ2 LYS A 56 -9.826 -13.074 -4.807 1.00 70.05 H new ATOM 0 HZ3 LYS A 56 -10.082 -12.689 -6.441 1.00 70.05 H new ATOM 931 N GLU A 57 -9.207 -5.701 -7.985 1.00 21.04 N ATOM 932 CA GLU A 57 -8.926 -5.141 -9.316 1.00 63.33 C ATOM 933 C GLU A 57 -7.923 -3.976 -9.210 1.00 55.13 C ATOM 934 O GLU A 57 -6.992 -3.884 -10.017 1.00 52.11 O ATOM 935 CB GLU A 57 -10.232 -4.663 -10.004 1.00 23.24 C ATOM 936 CG GLU A 57 -11.258 -5.778 -10.310 1.00 53.44 C ATOM 937 CD GLU A 57 -10.721 -6.858 -11.269 1.00 21.14 C ATOM 938 OE1 GLU A 57 -10.593 -6.584 -12.484 1.00 23.24 O ATOM 939 OE2 GLU A 57 -10.424 -7.983 -10.816 1.00 62.31 O ATOM 0 H GLU A 57 -10.170 -5.566 -7.676 1.00 21.04 H new ATOM 0 HA GLU A 57 -8.486 -5.929 -9.927 1.00 63.33 H new ATOM 0 HB2 GLU A 57 -10.708 -3.918 -9.367 1.00 23.24 H new ATOM 0 HB3 GLU A 57 -9.971 -4.165 -10.938 1.00 23.24 H new ATOM 0 HG2 GLU A 57 -11.560 -6.250 -9.375 1.00 53.44 H new ATOM 0 HG3 GLU A 57 -12.152 -5.330 -10.744 1.00 53.44 H new ATOM 946 N SER A 58 -8.120 -3.103 -8.192 1.00 34.13 N ATOM 947 CA SER A 58 -7.223 -1.960 -7.922 1.00 52.34 C ATOM 948 C SER A 58 -5.837 -2.472 -7.544 1.00 12.54 C ATOM 949 O SER A 58 -4.847 -2.102 -8.168 1.00 1.01 O ATOM 950 CB SER A 58 -7.775 -1.077 -6.779 1.00 1.52 C ATOM 951 OG SER A 58 -9.046 -0.587 -7.100 1.00 74.31 O ATOM 0 H SER A 58 -8.901 -3.173 -7.540 1.00 34.13 H new ATOM 0 HA SER A 58 -7.161 -1.355 -8.827 1.00 52.34 H new ATOM 0 HB2 SER A 58 -7.826 -1.657 -5.857 1.00 1.52 H new ATOM 0 HB3 SER A 58 -7.095 -0.245 -6.595 1.00 1.52 H new ATOM 0 HG SER A 58 -9.684 -1.330 -7.135 1.00 74.31 H new ATOM 957 N ILE A 59 -5.824 -3.384 -6.549 1.00 72.20 N ATOM 958 CA ILE A 59 -4.596 -3.979 -5.992 1.00 54.32 C ATOM 959 C ILE A 59 -3.723 -4.589 -7.111 1.00 11.52 C ATOM 960 O ILE A 59 -2.527 -4.311 -7.186 1.00 44.43 O ATOM 961 CB ILE A 59 -4.951 -5.081 -4.923 1.00 12.53 C ATOM 962 CG1 ILE A 59 -5.805 -4.478 -3.765 1.00 74.14 C ATOM 963 CG2 ILE A 59 -3.682 -5.760 -4.370 1.00 54.41 C ATOM 964 CD1 ILE A 59 -6.304 -5.489 -2.738 1.00 41.12 C ATOM 0 H ILE A 59 -6.676 -3.730 -6.107 1.00 72.20 H new ATOM 0 HA ILE A 59 -4.029 -3.186 -5.505 1.00 54.32 H new ATOM 0 HB ILE A 59 -5.545 -5.846 -5.424 1.00 12.53 H new ATOM 0 HG12 ILE A 59 -5.210 -3.723 -3.250 1.00 74.14 H new ATOM 0 HG13 ILE A 59 -6.665 -3.966 -4.197 1.00 74.14 H new ATOM 0 HG21 ILE A 59 -3.964 -6.514 -3.635 1.00 54.41 H new ATOM 0 HG22 ILE A 59 -3.138 -6.234 -5.187 1.00 54.41 H new ATOM 0 HG23 ILE A 59 -3.046 -5.012 -3.896 1.00 54.41 H new ATOM 0 HD11 ILE A 59 -6.887 -4.974 -1.974 1.00 41.12 H new ATOM 0 HD12 ILE A 59 -6.930 -6.232 -3.233 1.00 41.12 H new ATOM 0 HD13 ILE A 59 -5.452 -5.985 -2.272 1.00 41.12 H new ATOM 976 N SER A 60 -4.379 -5.380 -7.988 1.00 64.23 N ATOM 977 CA SER A 60 -3.750 -6.036 -9.142 1.00 13.14 C ATOM 978 C SER A 60 -3.031 -5.012 -10.036 1.00 51.53 C ATOM 979 O SER A 60 -1.829 -5.143 -10.269 1.00 4.15 O ATOM 980 CB SER A 60 -4.827 -6.811 -9.948 1.00 72.33 C ATOM 981 OG SER A 60 -4.288 -7.455 -11.091 1.00 23.54 O ATOM 0 H SER A 60 -5.376 -5.580 -7.908 1.00 64.23 H new ATOM 0 HA SER A 60 -3.000 -6.739 -8.781 1.00 13.14 H new ATOM 0 HB2 SER A 60 -5.295 -7.554 -9.302 1.00 72.33 H new ATOM 0 HB3 SER A 60 -5.611 -6.120 -10.259 1.00 72.33 H new ATOM 0 HG SER A 60 -3.427 -7.862 -10.861 1.00 23.54 H new ATOM 987 N GLU A 61 -3.771 -3.970 -10.477 1.00 31.35 N ATOM 988 CA GLU A 61 -3.257 -2.962 -11.428 1.00 21.25 C ATOM 989 C GLU A 61 -2.083 -2.156 -10.851 1.00 71.22 C ATOM 990 O GLU A 61 -1.115 -1.867 -11.576 1.00 53.12 O ATOM 991 CB GLU A 61 -4.391 -2.014 -11.892 1.00 41.23 C ATOM 992 CG GLU A 61 -5.541 -2.710 -12.651 1.00 4.22 C ATOM 993 CD GLU A 61 -5.081 -3.537 -13.867 1.00 11.42 C ATOM 994 OE1 GLU A 61 -5.025 -4.782 -13.775 1.00 42.40 O ATOM 995 OE2 GLU A 61 -4.756 -2.951 -14.923 1.00 63.53 O ATOM 0 H GLU A 61 -4.735 -3.806 -10.185 1.00 31.35 H new ATOM 0 HA GLU A 61 -2.878 -3.508 -12.292 1.00 21.25 H new ATOM 0 HB2 GLU A 61 -4.803 -1.508 -11.019 1.00 41.23 H new ATOM 0 HB3 GLU A 61 -3.963 -1.244 -12.534 1.00 41.23 H new ATOM 0 HG2 GLU A 61 -6.074 -3.364 -11.961 1.00 4.22 H new ATOM 0 HG3 GLU A 61 -6.251 -1.954 -12.987 1.00 4.22 H new ATOM 1002 N ILE A 62 -2.172 -1.801 -9.548 1.00 13.21 N ATOM 1003 CA ILE A 62 -1.079 -1.121 -8.840 1.00 2.12 C ATOM 1004 C ILE A 62 0.188 -1.995 -8.887 1.00 15.24 C ATOM 1005 O ILE A 62 1.206 -1.546 -9.399 1.00 31.32 O ATOM 1006 CB ILE A 62 -1.453 -0.728 -7.339 1.00 23.31 C ATOM 1007 CG1 ILE A 62 -2.204 0.655 -7.263 1.00 4.53 C ATOM 1008 CG2 ILE A 62 -0.204 -0.697 -6.414 1.00 64.12 C ATOM 1009 CD1 ILE A 62 -3.606 0.684 -7.828 1.00 43.22 C ATOM 0 H ILE A 62 -2.994 -1.978 -8.971 1.00 13.21 H new ATOM 0 HA ILE A 62 -0.892 -0.178 -9.354 1.00 2.12 H new ATOM 0 HB ILE A 62 -2.125 -1.509 -6.983 1.00 23.31 H new ATOM 0 HG12 ILE A 62 -2.249 0.964 -6.219 1.00 4.53 H new ATOM 0 HG13 ILE A 62 -1.607 1.399 -7.790 1.00 4.53 H new ATOM 0 HG21 ILE A 62 -0.507 -0.425 -5.403 1.00 64.12 H new ATOM 0 HG22 ILE A 62 0.263 -1.682 -6.400 1.00 64.12 H new ATOM 0 HG23 ILE A 62 0.509 0.037 -6.789 1.00 64.12 H new ATOM 0 HD11 ILE A 62 -4.021 1.686 -7.720 1.00 43.22 H new ATOM 0 HD12 ILE A 62 -3.578 0.414 -8.884 1.00 43.22 H new ATOM 0 HD13 ILE A 62 -4.231 -0.028 -7.288 1.00 43.22 H new ATOM 1021 N ILE A 63 0.075 -3.261 -8.411 1.00 34.32 N ATOM 1022 CA ILE A 63 1.232 -4.179 -8.279 1.00 14.43 C ATOM 1023 C ILE A 63 1.883 -4.438 -9.640 1.00 4.12 C ATOM 1024 O ILE A 63 3.100 -4.503 -9.718 1.00 23.34 O ATOM 1025 CB ILE A 63 0.843 -5.545 -7.616 1.00 21.10 C ATOM 1026 CG1 ILE A 63 0.254 -5.312 -6.203 1.00 40.24 C ATOM 1027 CG2 ILE A 63 2.057 -6.518 -7.541 1.00 2.45 C ATOM 1028 CD1 ILE A 63 -0.281 -6.566 -5.561 1.00 55.23 C ATOM 0 H ILE A 63 -0.810 -3.669 -8.111 1.00 34.32 H new ATOM 0 HA ILE A 63 1.945 -3.680 -7.623 1.00 14.43 H new ATOM 0 HB ILE A 63 0.085 -6.010 -8.246 1.00 21.10 H new ATOM 0 HG12 ILE A 63 1.026 -4.886 -5.562 1.00 40.24 H new ATOM 0 HG13 ILE A 63 -0.548 -4.576 -6.269 1.00 40.24 H new ATOM 0 HG21 ILE A 63 1.746 -7.453 -7.075 1.00 2.45 H new ATOM 0 HG22 ILE A 63 2.425 -6.719 -8.547 1.00 2.45 H new ATOM 0 HG23 ILE A 63 2.851 -6.064 -6.948 1.00 2.45 H new ATOM 0 HD11 ILE A 63 -0.678 -6.329 -4.574 1.00 55.23 H new ATOM 0 HD12 ILE A 63 -1.075 -6.982 -6.181 1.00 55.23 H new ATOM 0 HD13 ILE A 63 0.523 -7.296 -5.463 1.00 55.23 H new ATOM 1040 N LYS A 64 1.059 -4.541 -10.698 1.00 1.44 N ATOM 1041 CA LYS A 64 1.538 -4.692 -12.083 1.00 24.05 C ATOM 1042 C LYS A 64 2.464 -3.527 -12.454 1.00 3.34 C ATOM 1043 O LYS A 64 3.557 -3.742 -12.982 1.00 64.45 O ATOM 1044 CB LYS A 64 0.341 -4.748 -13.062 1.00 54.40 C ATOM 1045 CG LYS A 64 -0.501 -6.040 -12.977 1.00 12.42 C ATOM 1046 CD LYS A 64 -1.839 -5.917 -13.742 1.00 11.34 C ATOM 1047 CE LYS A 64 -1.664 -5.523 -15.219 1.00 30.31 C ATOM 1048 NZ LYS A 64 -2.969 -5.317 -15.889 1.00 3.44 N ATOM 0 H LYS A 64 0.042 -4.522 -10.617 1.00 1.44 H new ATOM 0 HA LYS A 64 2.097 -5.625 -12.157 1.00 24.05 H new ATOM 0 HB2 LYS A 64 -0.308 -3.894 -12.870 1.00 54.40 H new ATOM 0 HB3 LYS A 64 0.716 -4.641 -14.080 1.00 54.40 H new ATOM 0 HG2 LYS A 64 0.073 -6.873 -13.384 1.00 12.42 H new ATOM 0 HG3 LYS A 64 -0.702 -6.272 -11.931 1.00 12.42 H new ATOM 0 HD2 LYS A 64 -2.369 -6.868 -13.688 1.00 11.34 H new ATOM 0 HD3 LYS A 64 -2.465 -5.174 -13.247 1.00 11.34 H new ATOM 0 HE2 LYS A 64 -1.073 -4.609 -15.284 1.00 30.31 H new ATOM 0 HE3 LYS A 64 -1.106 -6.301 -15.740 1.00 30.31 H new ATOM 0 HZ1 LYS A 64 -3.165 -6.119 -16.521 1.00 3.44 H new ATOM 0 HZ2 LYS A 64 -3.720 -5.249 -15.173 1.00 3.44 H new ATOM 0 HZ3 LYS A 64 -2.939 -4.438 -16.444 1.00 3.44 H new ATOM 1062 N GLN A 65 2.017 -2.300 -12.133 1.00 33.11 N ATOM 1063 CA GLN A 65 2.791 -1.082 -12.408 1.00 63.20 C ATOM 1064 C GLN A 65 3.969 -0.900 -11.420 1.00 3.35 C ATOM 1065 O GLN A 65 4.897 -0.132 -11.698 1.00 25.03 O ATOM 1066 CB GLN A 65 1.865 0.151 -12.427 1.00 33.11 C ATOM 1067 CG GLN A 65 0.756 0.100 -13.490 1.00 64.21 C ATOM 1068 CD GLN A 65 1.270 -0.279 -14.881 1.00 33.11 C ATOM 1069 OE1 GLN A 65 1.790 0.693 -15.597 1.00 24.44 O flip ATOM 1070 NE2 GLN A 65 1.245 -1.444 -15.282 1.00 21.22 N flip ATOM 0 H GLN A 65 1.119 -2.128 -11.681 1.00 33.11 H new ATOM 0 HA GLN A 65 3.237 -1.189 -13.397 1.00 63.20 H new ATOM 0 HB2 GLN A 65 1.405 0.259 -11.445 1.00 33.11 H new ATOM 0 HB3 GLN A 65 2.471 1.042 -12.595 1.00 33.11 H new ATOM 0 HG2 GLN A 65 -0.001 -0.620 -13.181 1.00 64.21 H new ATOM 0 HG3 GLN A 65 0.268 1.073 -13.543 1.00 64.21 H new ATOM 0 HE21 GLN A 65 0.834 -2.175 -14.701 1.00 21.22 H new ATOM 0 HE22 GLN A 65 1.636 -1.678 -16.195 1.00 21.22 H new ATOM 1079 N VAL A 66 3.925 -1.606 -10.276 1.00 63.24 N ATOM 1080 CA VAL A 66 5.051 -1.682 -9.328 1.00 24.10 C ATOM 1081 C VAL A 66 6.123 -2.657 -9.860 1.00 75.35 C ATOM 1082 O VAL A 66 7.313 -2.431 -9.671 1.00 53.34 O ATOM 1083 CB VAL A 66 4.571 -2.124 -7.896 1.00 4.51 C ATOM 1084 CG1 VAL A 66 5.755 -2.310 -6.928 1.00 2.32 C ATOM 1085 CG2 VAL A 66 3.555 -1.112 -7.326 1.00 11.01 C ATOM 0 H VAL A 66 3.107 -2.140 -9.983 1.00 63.24 H new ATOM 0 HA VAL A 66 5.484 -0.686 -9.238 1.00 24.10 H new ATOM 0 HB VAL A 66 4.079 -3.091 -8.000 1.00 4.51 H new ATOM 0 HG11 VAL A 66 5.381 -2.615 -5.951 1.00 2.32 H new ATOM 0 HG12 VAL A 66 6.425 -3.077 -7.316 1.00 2.32 H new ATOM 0 HG13 VAL A 66 6.297 -1.369 -6.832 1.00 2.32 H new ATOM 0 HG21 VAL A 66 3.236 -1.436 -6.335 1.00 11.01 H new ATOM 0 HG22 VAL A 66 4.022 -0.130 -7.254 1.00 11.01 H new ATOM 0 HG23 VAL A 66 2.689 -1.055 -7.986 1.00 11.01 H new ATOM 1095 N LEU A 67 5.679 -3.734 -10.543 1.00 11.32 N ATOM 1096 CA LEU A 67 6.578 -4.702 -11.197 1.00 62.50 C ATOM 1097 C LEU A 67 7.232 -4.015 -12.417 1.00 23.24 C ATOM 1098 O LEU A 67 8.402 -4.251 -12.728 1.00 74.50 O ATOM 1099 CB LEU A 67 5.805 -5.988 -11.618 1.00 54.44 C ATOM 1100 CG LEU A 67 5.076 -6.774 -10.474 1.00 45.44 C ATOM 1101 CD1 LEU A 67 4.276 -7.971 -11.030 1.00 13.25 C ATOM 1102 CD2 LEU A 67 6.053 -7.218 -9.364 1.00 1.44 C ATOM 0 H LEU A 67 4.689 -3.954 -10.655 1.00 11.32 H new ATOM 0 HA LEU A 67 7.353 -5.015 -10.498 1.00 62.50 H new ATOM 0 HB2 LEU A 67 5.063 -5.710 -12.367 1.00 54.44 H new ATOM 0 HB3 LEU A 67 6.508 -6.665 -12.102 1.00 54.44 H new ATOM 0 HG LEU A 67 4.365 -6.085 -10.019 1.00 45.44 H new ATOM 0 HD11 LEU A 67 3.784 -8.493 -10.209 1.00 13.25 H new ATOM 0 HD12 LEU A 67 3.525 -7.611 -11.734 1.00 13.25 H new ATOM 0 HD13 LEU A 67 4.953 -8.656 -11.541 1.00 13.25 H new ATOM 0 HD21 LEU A 67 5.505 -7.759 -8.592 1.00 1.44 H new ATOM 0 HD22 LEU A 67 6.817 -7.868 -9.790 1.00 1.44 H new ATOM 0 HD23 LEU A 67 6.528 -6.341 -8.925 1.00 1.44 H new ATOM 1114 N ASP A 68 6.433 -3.142 -13.078 1.00 53.13 N ATOM 1115 CA ASP A 68 6.887 -2.225 -14.142 1.00 60.24 C ATOM 1116 C ASP A 68 7.938 -1.232 -13.601 1.00 65.12 C ATOM 1117 O ASP A 68 8.935 -0.950 -14.281 1.00 33.21 O ATOM 1118 CB ASP A 68 5.650 -1.481 -14.742 1.00 3.21 C ATOM 1119 CG ASP A 68 5.982 -0.295 -15.673 1.00 24.21 C ATOM 1120 OD1 ASP A 68 6.673 -0.513 -16.689 1.00 74.51 O ATOM 1121 OD2 ASP A 68 5.542 0.850 -15.396 1.00 40.41 O ATOM 0 H ASP A 68 5.436 -3.057 -12.879 1.00 53.13 H new ATOM 0 HA ASP A 68 7.369 -2.799 -14.934 1.00 60.24 H new ATOM 0 HB2 ASP A 68 5.048 -2.200 -15.297 1.00 3.21 H new ATOM 0 HB3 ASP A 68 5.033 -1.116 -13.921 1.00 3.21 H new ATOM 1126 N SER A 69 7.730 -0.734 -12.366 1.00 22.31 N ATOM 1127 CA SER A 69 8.681 0.178 -11.711 1.00 1.54 C ATOM 1128 C SER A 69 9.907 -0.566 -11.164 1.00 4.45 C ATOM 1129 O SER A 69 11.002 0.004 -11.093 1.00 42.05 O ATOM 1130 CB SER A 69 7.993 0.975 -10.574 1.00 11.43 C ATOM 1131 OG SER A 69 6.992 1.844 -11.077 1.00 50.15 O ATOM 0 H SER A 69 6.908 -0.951 -11.803 1.00 22.31 H new ATOM 0 HA SER A 69 9.026 0.876 -12.474 1.00 1.54 H new ATOM 0 HB2 SER A 69 7.548 0.281 -9.860 1.00 11.43 H new ATOM 0 HB3 SER A 69 8.740 1.555 -10.032 1.00 11.43 H new ATOM 0 HG SER A 69 6.211 1.319 -11.352 1.00 50.15 H new ATOM 1137 N GLY A 70 9.719 -1.850 -10.813 1.00 75.25 N ATOM 1138 CA GLY A 70 10.708 -2.593 -10.039 1.00 60.15 C ATOM 1139 C GLY A 70 10.838 -2.030 -8.632 1.00 2.01 C ATOM 1140 O GLY A 70 11.945 -1.879 -8.112 1.00 1.32 O ATOM 0 H GLY A 70 8.888 -2.388 -11.057 1.00 75.25 H new ATOM 0 HA2 GLY A 70 10.421 -3.643 -9.989 1.00 60.15 H new ATOM 0 HA3 GLY A 70 11.674 -2.551 -10.542 1.00 60.15 H new ATOM 1144 N ALA A 71 9.681 -1.705 -8.035 1.00 14.12 N ATOM 1145 CA ALA A 71 9.573 -1.032 -6.730 1.00 12.21 C ATOM 1146 C ALA A 71 9.123 -2.024 -5.639 1.00 50.13 C ATOM 1147 O ALA A 71 8.811 -3.184 -5.931 1.00 41.43 O ATOM 1148 CB ALA A 71 8.575 0.137 -6.860 1.00 42.43 C ATOM 0 H ALA A 71 8.774 -1.907 -8.455 1.00 14.12 H new ATOM 0 HA ALA A 71 10.548 -0.646 -6.434 1.00 12.21 H new ATOM 0 HB1 ALA A 71 8.484 0.646 -5.900 1.00 42.43 H new ATOM 0 HB2 ALA A 71 8.934 0.840 -7.611 1.00 42.43 H new ATOM 0 HB3 ALA A 71 7.601 -0.248 -7.160 1.00 42.43 H new ATOM 1154 N LYS A 72 9.114 -1.567 -4.374 1.00 61.42 N ATOM 1155 CA LYS A 72 8.589 -2.359 -3.233 1.00 13.43 C ATOM 1156 C LYS A 72 7.094 -2.053 -3.062 1.00 12.13 C ATOM 1157 O LYS A 72 6.679 -0.902 -3.228 1.00 63.12 O ATOM 1158 CB LYS A 72 9.371 -2.044 -1.911 1.00 3.32 C ATOM 1159 CG LYS A 72 10.690 -2.833 -1.707 1.00 73.23 C ATOM 1160 CD LYS A 72 11.739 -2.605 -2.820 1.00 74.05 C ATOM 1161 CE LYS A 72 12.266 -1.159 -2.874 1.00 21.35 C ATOM 1162 NZ LYS A 72 13.027 -0.792 -1.651 1.00 35.03 N ATOM 0 H LYS A 72 9.466 -0.647 -4.109 1.00 61.42 H new ATOM 0 HA LYS A 72 8.727 -3.419 -3.444 1.00 13.43 H new ATOM 0 HB2 LYS A 72 9.600 -0.978 -1.891 1.00 3.32 H new ATOM 0 HB3 LYS A 72 8.714 -2.245 -1.065 1.00 3.32 H new ATOM 0 HG2 LYS A 72 11.125 -2.551 -0.748 1.00 73.23 H new ATOM 0 HG3 LYS A 72 10.460 -3.897 -1.652 1.00 73.23 H new ATOM 0 HD2 LYS A 72 12.577 -3.284 -2.664 1.00 74.05 H new ATOM 0 HD3 LYS A 72 11.297 -2.860 -3.783 1.00 74.05 H new ATOM 0 HE2 LYS A 72 12.907 -1.040 -3.748 1.00 21.35 H new ATOM 0 HE3 LYS A 72 11.428 -0.473 -2.998 1.00 21.35 H new ATOM 0 HZ1 LYS A 72 13.419 0.165 -1.760 1.00 35.03 H new ATOM 0 HZ2 LYS A 72 12.392 -0.814 -0.828 1.00 35.03 H new ATOM 0 HZ3 LYS A 72 13.803 -1.470 -1.508 1.00 35.03 H new ATOM 1176 N VAL A 73 6.292 -3.083 -2.752 1.00 42.04 N ATOM 1177 CA VAL A 73 4.846 -2.929 -2.527 1.00 21.52 C ATOM 1178 C VAL A 73 4.379 -3.764 -1.320 1.00 34.11 C ATOM 1179 O VAL A 73 4.758 -4.931 -1.155 1.00 43.14 O ATOM 1180 CB VAL A 73 4.012 -3.282 -3.822 1.00 4.35 C ATOM 1181 CG1 VAL A 73 4.358 -4.681 -4.388 1.00 14.10 C ATOM 1182 CG2 VAL A 73 2.489 -3.115 -3.593 1.00 70.23 C ATOM 0 H VAL A 73 6.625 -4.042 -2.651 1.00 42.04 H new ATOM 0 HA VAL A 73 4.663 -1.879 -2.299 1.00 21.52 H new ATOM 0 HB VAL A 73 4.305 -2.558 -4.583 1.00 4.35 H new ATOM 0 HG11 VAL A 73 3.757 -4.873 -5.277 1.00 14.10 H new ATOM 0 HG12 VAL A 73 5.415 -4.716 -4.651 1.00 14.10 H new ATOM 0 HG13 VAL A 73 4.146 -5.441 -3.636 1.00 14.10 H new ATOM 0 HG21 VAL A 73 1.954 -3.368 -4.508 1.00 70.23 H new ATOM 0 HG22 VAL A 73 2.167 -3.777 -2.789 1.00 70.23 H new ATOM 0 HG23 VAL A 73 2.273 -2.082 -3.320 1.00 70.23 H new ATOM 1192 N LEU A 74 3.578 -3.119 -0.466 1.00 70.13 N ATOM 1193 CA LEU A 74 2.904 -3.733 0.675 1.00 74.05 C ATOM 1194 C LEU A 74 1.395 -3.613 0.454 1.00 52.43 C ATOM 1195 O LEU A 74 0.886 -2.515 0.236 1.00 33.10 O ATOM 1196 CB LEU A 74 3.323 -3.030 1.992 1.00 4.02 C ATOM 1197 CG LEU A 74 2.501 -3.401 3.275 1.00 54.15 C ATOM 1198 CD1 LEU A 74 2.503 -4.914 3.541 1.00 74.13 C ATOM 1199 CD2 LEU A 74 3.003 -2.613 4.500 1.00 45.21 C ATOM 0 H LEU A 74 3.377 -2.123 -0.556 1.00 70.13 H new ATOM 0 HA LEU A 74 3.185 -4.783 0.759 1.00 74.05 H new ATOM 0 HB2 LEU A 74 4.372 -3.257 2.181 1.00 4.02 H new ATOM 0 HB3 LEU A 74 3.252 -1.953 1.841 1.00 4.02 H new ATOM 0 HG LEU A 74 1.466 -3.113 3.092 1.00 54.15 H new ATOM 0 HD11 LEU A 74 1.922 -5.126 4.439 1.00 74.13 H new ATOM 0 HD12 LEU A 74 2.060 -5.433 2.691 1.00 74.13 H new ATOM 0 HD13 LEU A 74 3.528 -5.257 3.682 1.00 74.13 H new ATOM 0 HD21 LEU A 74 2.416 -2.889 5.376 1.00 45.21 H new ATOM 0 HD22 LEU A 74 4.053 -2.847 4.678 1.00 45.21 H new ATOM 0 HD23 LEU A 74 2.896 -1.544 4.314 1.00 45.21 H new ATOM 1211 N ILE A 75 0.688 -4.748 0.480 1.00 51.55 N ATOM 1212 CA ILE A 75 -0.779 -4.776 0.362 1.00 25.32 C ATOM 1213 C ILE A 75 -1.385 -5.129 1.716 1.00 73.14 C ATOM 1214 O ILE A 75 -1.125 -6.196 2.263 1.00 62.03 O ATOM 1215 CB ILE A 75 -1.253 -5.791 -0.735 1.00 44.32 C ATOM 1216 CG1 ILE A 75 -0.655 -5.403 -2.119 1.00 52.41 C ATOM 1217 CG2 ILE A 75 -2.803 -5.905 -0.797 1.00 73.20 C ATOM 1218 CD1 ILE A 75 -0.982 -3.995 -2.598 1.00 72.45 C ATOM 0 H ILE A 75 1.111 -5.670 0.583 1.00 51.55 H new ATOM 0 HA ILE A 75 -1.120 -3.788 0.053 1.00 25.32 H new ATOM 0 HB ILE A 75 -0.881 -6.778 -0.460 1.00 44.32 H new ATOM 0 HG12 ILE A 75 0.429 -5.510 -2.071 1.00 52.41 H new ATOM 0 HG13 ILE A 75 -1.013 -6.114 -2.863 1.00 52.41 H new ATOM 0 HG21 ILE A 75 -3.085 -6.619 -1.571 1.00 73.20 H new ATOM 0 HG22 ILE A 75 -3.182 -6.246 0.167 1.00 73.20 H new ATOM 0 HG23 ILE A 75 -3.231 -4.930 -1.030 1.00 73.20 H new ATOM 0 HD11 ILE A 75 -0.519 -3.825 -3.570 1.00 72.45 H new ATOM 0 HD12 ILE A 75 -2.063 -3.882 -2.686 1.00 72.45 H new ATOM 0 HD13 ILE A 75 -0.599 -3.269 -1.881 1.00 72.45 H new ATOM 1230 N LEU A 76 -2.156 -4.197 2.261 1.00 11.44 N ATOM 1231 CA LEU A 76 -2.908 -4.379 3.497 1.00 35.24 C ATOM 1232 C LEU A 76 -4.395 -4.488 3.142 1.00 74.12 C ATOM 1233 O LEU A 76 -4.897 -3.732 2.310 1.00 20.33 O ATOM 1234 CB LEU A 76 -2.608 -3.187 4.445 1.00 1.11 C ATOM 1235 CG LEU A 76 -1.099 -3.039 4.837 1.00 74.11 C ATOM 1236 CD1 LEU A 76 -0.820 -1.755 5.623 1.00 22.32 C ATOM 1237 CD2 LEU A 76 -0.620 -4.272 5.621 1.00 21.14 C ATOM 0 H LEU A 76 -2.279 -3.273 1.847 1.00 11.44 H new ATOM 0 HA LEU A 76 -2.618 -5.292 4.017 1.00 35.24 H new ATOM 0 HB2 LEU A 76 -2.939 -2.265 3.967 1.00 1.11 H new ATOM 0 HB3 LEU A 76 -3.198 -3.304 5.354 1.00 1.11 H new ATOM 0 HG LEU A 76 -0.534 -2.970 3.907 1.00 74.11 H new ATOM 0 HD11 LEU A 76 0.240 -1.702 5.869 1.00 22.32 H new ATOM 0 HD12 LEU A 76 -1.095 -0.891 5.018 1.00 22.32 H new ATOM 0 HD13 LEU A 76 -1.406 -1.756 6.542 1.00 22.32 H new ATOM 0 HD21 LEU A 76 0.431 -4.150 5.884 1.00 21.14 H new ATOM 0 HD22 LEU A 76 -1.212 -4.378 6.530 1.00 21.14 H new ATOM 0 HD23 LEU A 76 -0.739 -5.163 5.005 1.00 21.14 H new ATOM 1249 N SER A 77 -5.079 -5.462 3.731 1.00 24.10 N ATOM 1250 CA SER A 77 -6.510 -5.673 3.515 1.00 42.12 C ATOM 1251 C SER A 77 -7.083 -6.405 4.717 1.00 31.44 C ATOM 1252 O SER A 77 -6.420 -7.285 5.287 1.00 43.13 O ATOM 1253 CB SER A 77 -6.779 -6.473 2.212 1.00 21.44 C ATOM 1254 OG SER A 77 -8.170 -6.612 1.960 1.00 71.33 O ATOM 0 H SER A 77 -4.657 -6.131 4.375 1.00 24.10 H new ATOM 0 HA SER A 77 -6.996 -4.704 3.402 1.00 42.12 H new ATOM 0 HB2 SER A 77 -6.305 -5.968 1.370 1.00 21.44 H new ATOM 0 HB3 SER A 77 -6.323 -7.460 2.290 1.00 21.44 H new ATOM 0 HG SER A 77 -8.303 -7.119 1.132 1.00 71.33 H new ATOM 1260 N SER A 78 -8.309 -6.024 5.098 1.00 24.31 N ATOM 1261 CA SER A 78 -9.053 -6.657 6.190 1.00 34.11 C ATOM 1262 C SER A 78 -9.272 -8.157 5.919 1.00 14.24 C ATOM 1263 O SER A 78 -9.186 -8.984 6.835 1.00 64.10 O ATOM 1264 CB SER A 78 -10.403 -5.930 6.373 1.00 65.53 C ATOM 1265 OG SER A 78 -10.206 -4.535 6.563 1.00 34.01 O ATOM 0 H SER A 78 -8.816 -5.260 4.651 1.00 24.31 H new ATOM 0 HA SER A 78 -8.471 -6.576 7.108 1.00 34.11 H new ATOM 0 HB2 SER A 78 -11.032 -6.097 5.499 1.00 65.53 H new ATOM 0 HB3 SER A 78 -10.932 -6.347 7.230 1.00 65.53 H new ATOM 0 HG SER A 78 -11.074 -4.094 6.675 1.00 34.01 H new ATOM 1271 N ASP A 79 -9.506 -8.492 4.638 1.00 42.53 N ATOM 1272 CA ASP A 79 -9.842 -9.853 4.206 1.00 44.24 C ATOM 1273 C ASP A 79 -8.562 -10.646 3.847 1.00 61.12 C ATOM 1274 O ASP A 79 -7.782 -10.240 2.965 1.00 54.55 O ATOM 1275 CB ASP A 79 -10.819 -9.780 3.012 1.00 1.22 C ATOM 1276 CG ASP A 79 -11.359 -11.155 2.593 1.00 4.12 C ATOM 1277 OD1 ASP A 79 -12.375 -11.613 3.158 1.00 72.13 O ATOM 1278 OD2 ASP A 79 -10.755 -11.805 1.726 1.00 12.22 O ATOM 0 H ASP A 79 -9.466 -7.820 3.872 1.00 42.53 H new ATOM 0 HA ASP A 79 -10.329 -10.385 5.023 1.00 44.24 H new ATOM 0 HB2 ASP A 79 -11.655 -9.132 3.273 1.00 1.22 H new ATOM 0 HB3 ASP A 79 -10.313 -9.321 2.163 1.00 1.22 H new ATOM 1283 N GLU A 80 -8.383 -11.789 4.537 1.00 1.12 N ATOM 1284 CA GLU A 80 -7.194 -12.657 4.416 1.00 51.33 C ATOM 1285 C GLU A 80 -7.167 -13.425 3.085 1.00 43.15 C ATOM 1286 O GLU A 80 -6.089 -13.829 2.630 1.00 45.53 O ATOM 1287 CB GLU A 80 -7.140 -13.669 5.588 1.00 50.55 C ATOM 1288 CG GLU A 80 -8.319 -14.667 5.636 1.00 45.10 C ATOM 1289 CD GLU A 80 -8.194 -15.706 6.759 1.00 45.21 C ATOM 1290 OE1 GLU A 80 -7.347 -16.622 6.633 1.00 51.42 O ATOM 1291 OE2 GLU A 80 -8.914 -15.603 7.780 1.00 53.55 O ATOM 0 H GLU A 80 -9.070 -12.141 5.204 1.00 1.12 H new ATOM 0 HA GLU A 80 -6.323 -12.003 4.448 1.00 51.33 H new ATOM 0 HB2 GLU A 80 -6.209 -14.231 5.522 1.00 50.55 H new ATOM 0 HB3 GLU A 80 -7.112 -13.116 6.527 1.00 50.55 H new ATOM 0 HG2 GLU A 80 -9.249 -14.113 5.766 1.00 45.10 H new ATOM 0 HG3 GLU A 80 -8.387 -15.184 4.679 1.00 45.10 H new ATOM 1298 N ASN A 81 -8.356 -13.639 2.474 1.00 11.22 N ATOM 1299 CA ASN A 81 -8.483 -14.407 1.216 1.00 62.14 C ATOM 1300 C ASN A 81 -7.919 -13.571 0.071 1.00 42.10 C ATOM 1301 O ASN A 81 -7.316 -14.109 -0.858 1.00 3.11 O ATOM 1302 CB ASN A 81 -9.959 -14.788 0.917 1.00 1.12 C ATOM 1303 CG ASN A 81 -10.634 -15.504 2.084 1.00 14.33 C ATOM 1304 OD1 ASN A 81 -10.548 -16.726 2.207 1.00 33.32 O ATOM 1305 ND2 ASN A 81 -11.295 -14.756 2.963 1.00 75.35 N ATOM 0 H ASN A 81 -9.243 -13.288 2.835 1.00 11.22 H new ATOM 0 HA ASN A 81 -7.923 -15.337 1.321 1.00 62.14 H new ATOM 0 HB2 ASN A 81 -10.521 -13.885 0.677 1.00 1.12 H new ATOM 0 HB3 ASN A 81 -9.993 -15.428 0.036 1.00 1.12 H new ATOM 0 HD21 ASN A 81 -11.748 -15.193 3.766 1.00 75.35 H new ATOM 0 HD22 ASN A 81 -11.349 -13.746 2.834 1.00 75.35 H new ATOM 1312 N ILE A 82 -8.133 -12.243 0.172 1.00 72.53 N ATOM 1313 CA ILE A 82 -7.566 -11.252 -0.752 1.00 42.55 C ATOM 1314 C ILE A 82 -6.048 -11.192 -0.569 1.00 3.12 C ATOM 1315 O ILE A 82 -5.318 -11.335 -1.535 1.00 12.33 O ATOM 1316 CB ILE A 82 -8.223 -9.843 -0.520 1.00 5.54 C ATOM 1317 CG1 ILE A 82 -9.742 -9.925 -0.855 1.00 33.21 C ATOM 1318 CG2 ILE A 82 -7.522 -8.715 -1.330 1.00 25.05 C ATOM 1319 CD1 ILE A 82 -10.537 -8.681 -0.559 1.00 72.44 C ATOM 0 H ILE A 82 -8.710 -11.830 0.905 1.00 72.53 H new ATOM 0 HA ILE A 82 -7.781 -11.551 -1.778 1.00 42.55 H new ATOM 0 HB ILE A 82 -8.096 -9.577 0.529 1.00 5.54 H new ATOM 0 HG12 ILE A 82 -9.851 -10.162 -1.913 1.00 33.21 H new ATOM 0 HG13 ILE A 82 -10.176 -10.754 -0.296 1.00 33.21 H new ATOM 0 HG21 ILE A 82 -8.016 -7.764 -1.132 1.00 25.05 H new ATOM 0 HG22 ILE A 82 -6.476 -8.649 -1.032 1.00 25.05 H new ATOM 0 HG23 ILE A 82 -7.582 -8.940 -2.395 1.00 25.05 H new ATOM 0 HD11 ILE A 82 -11.581 -8.844 -0.828 1.00 72.44 H new ATOM 0 HD12 ILE A 82 -10.468 -8.450 0.504 1.00 72.44 H new ATOM 0 HD13 ILE A 82 -10.138 -7.848 -1.138 1.00 72.44 H new ATOM 1331 N ILE A 83 -5.604 -11.033 0.692 1.00 20.42 N ATOM 1332 CA ILE A 83 -4.166 -10.987 1.065 1.00 13.05 C ATOM 1333 C ILE A 83 -3.370 -12.190 0.486 1.00 24.32 C ATOM 1334 O ILE A 83 -2.313 -12.016 -0.149 1.00 71.13 O ATOM 1335 CB ILE A 83 -4.054 -10.902 2.650 1.00 63.12 C ATOM 1336 CG1 ILE A 83 -4.476 -9.477 3.144 1.00 71.11 C ATOM 1337 CG2 ILE A 83 -2.659 -11.295 3.200 1.00 51.15 C ATOM 1338 CD1 ILE A 83 -3.630 -8.347 2.580 1.00 72.41 C ATOM 0 H ILE A 83 -6.232 -10.932 1.490 1.00 20.42 H new ATOM 0 HA ILE A 83 -3.711 -10.099 0.625 1.00 13.05 H new ATOM 0 HB ILE A 83 -4.744 -11.645 3.051 1.00 63.12 H new ATOM 0 HG12 ILE A 83 -5.518 -9.305 2.875 1.00 71.11 H new ATOM 0 HG13 ILE A 83 -4.419 -9.450 4.232 1.00 71.11 H new ATOM 0 HG21 ILE A 83 -2.660 -11.212 4.287 1.00 51.15 H new ATOM 0 HG22 ILE A 83 -2.431 -12.322 2.914 1.00 51.15 H new ATOM 0 HG23 ILE A 83 -1.903 -10.627 2.786 1.00 51.15 H new ATOM 0 HD11 ILE A 83 -3.988 -7.395 2.971 1.00 72.41 H new ATOM 0 HD12 ILE A 83 -2.590 -8.491 2.871 1.00 72.41 H new ATOM 0 HD13 ILE A 83 -3.705 -8.344 1.493 1.00 72.41 H new ATOM 1350 N GLU A 84 -3.924 -13.387 0.672 1.00 24.43 N ATOM 1351 CA GLU A 84 -3.301 -14.643 0.224 1.00 54.21 C ATOM 1352 C GLU A 84 -3.474 -14.854 -1.296 1.00 3.20 C ATOM 1353 O GLU A 84 -2.628 -15.495 -1.926 1.00 61.44 O ATOM 1354 CB GLU A 84 -3.876 -15.819 1.044 1.00 21.53 C ATOM 1355 CG GLU A 84 -3.154 -17.165 0.838 1.00 33.04 C ATOM 1356 CD GLU A 84 -3.735 -18.279 1.720 1.00 1.43 C ATOM 1357 OE1 GLU A 84 -4.626 -19.019 1.255 1.00 24.24 O ATOM 1358 OE2 GLU A 84 -3.324 -18.397 2.898 1.00 74.33 O ATOM 0 H GLU A 84 -4.821 -13.519 1.139 1.00 24.43 H new ATOM 0 HA GLU A 84 -2.227 -14.590 0.400 1.00 54.21 H new ATOM 0 HB2 GLU A 84 -3.836 -15.560 2.102 1.00 21.53 H new ATOM 0 HB3 GLU A 84 -4.928 -15.944 0.786 1.00 21.53 H new ATOM 0 HG2 GLU A 84 -3.228 -17.458 -0.209 1.00 33.04 H new ATOM 0 HG3 GLU A 84 -2.094 -17.044 1.061 1.00 33.04 H new ATOM 1365 N SER A 85 -4.558 -14.289 -1.884 1.00 20.31 N ATOM 1366 CA SER A 85 -4.775 -14.307 -3.348 1.00 3.23 C ATOM 1367 C SER A 85 -3.691 -13.475 -4.039 1.00 14.11 C ATOM 1368 O SER A 85 -3.160 -13.859 -5.076 1.00 4.52 O ATOM 1369 CB SER A 85 -6.181 -13.755 -3.704 1.00 70.35 C ATOM 1370 OG SER A 85 -6.439 -13.795 -5.099 1.00 65.50 O ATOM 0 H SER A 85 -5.296 -13.815 -1.363 1.00 20.31 H new ATOM 0 HA SER A 85 -4.717 -15.338 -3.697 1.00 3.23 H new ATOM 0 HB2 SER A 85 -6.940 -14.336 -3.180 1.00 70.35 H new ATOM 0 HB3 SER A 85 -6.265 -12.727 -3.351 1.00 70.35 H new ATOM 0 HG SER A 85 -7.106 -14.488 -5.289 1.00 65.50 H new ATOM 1376 N ILE A 86 -3.367 -12.339 -3.414 1.00 12.02 N ATOM 1377 CA ILE A 86 -2.366 -11.397 -3.901 1.00 13.24 C ATOM 1378 C ILE A 86 -0.945 -11.991 -3.762 1.00 65.14 C ATOM 1379 O ILE A 86 -0.086 -11.736 -4.607 1.00 12.33 O ATOM 1380 CB ILE A 86 -2.524 -10.024 -3.143 1.00 52.22 C ATOM 1381 CG1 ILE A 86 -3.921 -9.377 -3.452 1.00 21.23 C ATOM 1382 CG2 ILE A 86 -1.385 -9.050 -3.465 1.00 54.14 C ATOM 1383 CD1 ILE A 86 -4.244 -9.206 -4.929 1.00 12.41 C ATOM 0 H ILE A 86 -3.804 -12.047 -2.540 1.00 12.02 H new ATOM 0 HA ILE A 86 -2.521 -11.210 -4.964 1.00 13.24 H new ATOM 0 HB ILE A 86 -2.468 -10.236 -2.075 1.00 52.22 H new ATOM 0 HG12 ILE A 86 -4.697 -9.992 -2.996 1.00 21.23 H new ATOM 0 HG13 ILE A 86 -3.965 -8.400 -2.971 1.00 21.23 H new ATOM 0 HG21 ILE A 86 -1.538 -8.119 -2.920 1.00 54.14 H new ATOM 0 HG22 ILE A 86 -0.434 -9.492 -3.169 1.00 54.14 H new ATOM 0 HG23 ILE A 86 -1.373 -8.846 -4.536 1.00 54.14 H new ATOM 0 HD11 ILE A 86 -5.229 -8.752 -5.036 1.00 12.41 H new ATOM 0 HD12 ILE A 86 -3.496 -8.564 -5.393 1.00 12.41 H new ATOM 0 HD13 ILE A 86 -4.239 -10.180 -5.418 1.00 12.41 H new ATOM 1395 N ARG A 87 -0.724 -12.817 -2.713 1.00 1.35 N ATOM 1396 CA ARG A 87 0.559 -13.541 -2.544 1.00 52.22 C ATOM 1397 C ARG A 87 0.744 -14.657 -3.603 1.00 42.23 C ATOM 1398 O ARG A 87 1.839 -14.802 -4.155 1.00 71.22 O ATOM 1399 CB ARG A 87 0.711 -14.137 -1.121 1.00 2.33 C ATOM 1400 CG ARG A 87 1.080 -13.114 -0.033 1.00 12.43 C ATOM 1401 CD ARG A 87 1.528 -13.785 1.282 1.00 30.15 C ATOM 1402 NE ARG A 87 1.872 -12.807 2.329 1.00 71.43 N ATOM 1403 CZ ARG A 87 3.098 -12.283 2.553 1.00 52.23 C ATOM 1404 NH1 ARG A 87 4.138 -12.620 1.807 1.00 53.11 N ATOM 1405 NH2 ARG A 87 3.287 -11.439 3.543 1.00 34.44 N ATOM 0 H ARG A 87 -1.408 -12.998 -1.978 1.00 1.35 H new ATOM 0 HA ARG A 87 1.342 -12.796 -2.690 1.00 52.22 H new ATOM 0 HB2 ARG A 87 -0.225 -14.622 -0.843 1.00 2.33 H new ATOM 0 HB3 ARG A 87 1.476 -14.913 -1.146 1.00 2.33 H new ATOM 0 HG2 ARG A 87 1.880 -12.471 -0.400 1.00 12.43 H new ATOM 0 HG3 ARG A 87 0.221 -12.473 0.164 1.00 12.43 H new ATOM 0 HD2 ARG A 87 0.731 -14.434 1.644 1.00 30.15 H new ATOM 0 HD3 ARG A 87 2.392 -14.420 1.086 1.00 30.15 H new ATOM 0 HE ARG A 87 1.117 -12.497 2.940 1.00 71.43 H new ATOM 0 HH11 ARG A 87 4.024 -13.288 1.045 1.00 53.11 H new ATOM 0 HH12 ARG A 87 5.054 -12.212 1.994 1.00 53.11 H new ATOM 0 HH21 ARG A 87 2.507 -11.177 4.146 1.00 34.44 H new ATOM 0 HH22 ARG A 87 4.214 -11.046 3.708 1.00 34.44 H new ATOM 1419 N LYS A 88 -0.318 -15.459 -3.870 1.00 40.11 N ATOM 1420 CA LYS A 88 -0.219 -16.612 -4.808 1.00 55.21 C ATOM 1421 C LYS A 88 -0.092 -16.134 -6.268 1.00 5.42 C ATOM 1422 O LYS A 88 0.558 -16.794 -7.084 1.00 23.51 O ATOM 1423 CB LYS A 88 -1.406 -17.609 -4.644 1.00 35.23 C ATOM 1424 CG LYS A 88 -2.810 -17.036 -4.938 1.00 63.42 C ATOM 1425 CD LYS A 88 -3.958 -18.048 -4.691 1.00 11.11 C ATOM 1426 CE LYS A 88 -4.021 -19.182 -5.736 1.00 12.43 C ATOM 1427 NZ LYS A 88 -4.382 -18.674 -7.088 1.00 25.45 N ATOM 0 H LYS A 88 -1.242 -15.333 -3.456 1.00 40.11 H new ATOM 0 HA LYS A 88 0.690 -17.154 -4.549 1.00 55.21 H new ATOM 0 HB2 LYS A 88 -1.236 -18.459 -5.304 1.00 35.23 H new ATOM 0 HB3 LYS A 88 -1.397 -17.991 -3.623 1.00 35.23 H new ATOM 0 HG2 LYS A 88 -2.972 -16.156 -4.315 1.00 63.42 H new ATOM 0 HG3 LYS A 88 -2.847 -16.703 -5.975 1.00 63.42 H new ATOM 0 HD2 LYS A 88 -3.838 -18.486 -3.700 1.00 11.11 H new ATOM 0 HD3 LYS A 88 -4.908 -17.513 -4.690 1.00 11.11 H new ATOM 0 HE2 LYS A 88 -3.055 -19.685 -5.784 1.00 12.43 H new ATOM 0 HE3 LYS A 88 -4.753 -19.926 -5.421 1.00 12.43 H new ATOM 0 HZ1 LYS A 88 -4.546 -19.477 -7.728 1.00 25.45 H new ATOM 0 HZ2 LYS A 88 -5.247 -18.100 -7.024 1.00 25.45 H new ATOM 0 HZ3 LYS A 88 -3.605 -18.090 -7.458 1.00 25.45 H new ATOM 1441 N GLN A 89 -0.721 -14.981 -6.590 1.00 73.24 N ATOM 1442 CA GLN A 89 -0.577 -14.324 -7.906 1.00 54.30 C ATOM 1443 C GLN A 89 0.790 -13.630 -8.026 1.00 32.22 C ATOM 1444 O GLN A 89 1.451 -13.721 -9.066 1.00 20.23 O ATOM 1445 CB GLN A 89 -1.713 -13.286 -8.126 1.00 51.41 C ATOM 1446 CG GLN A 89 -3.124 -13.883 -8.249 1.00 72.13 C ATOM 1447 CD GLN A 89 -4.210 -12.813 -8.377 1.00 13.44 C ATOM 1448 OE1 GLN A 89 -4.545 -12.380 -9.475 1.00 33.34 O ATOM 1449 NE2 GLN A 89 -4.766 -12.371 -7.253 1.00 71.24 N ATOM 0 H GLN A 89 -1.339 -14.484 -5.948 1.00 73.24 H new ATOM 0 HA GLN A 89 -0.646 -15.095 -8.673 1.00 54.30 H new ATOM 0 HB2 GLN A 89 -1.705 -12.580 -7.296 1.00 51.41 H new ATOM 0 HB3 GLN A 89 -1.495 -12.718 -9.030 1.00 51.41 H new ATOM 0 HG2 GLN A 89 -3.162 -14.539 -9.119 1.00 72.13 H new ATOM 0 HG3 GLN A 89 -3.330 -14.501 -7.375 1.00 72.13 H new ATOM 0 HE21 GLN A 89 -4.468 -12.749 -6.354 1.00 71.24 H new ATOM 0 HE22 GLN A 89 -5.491 -11.654 -7.290 1.00 71.24 H new ATOM 1458 N TYR A 90 1.197 -12.933 -6.954 1.00 14.21 N ATOM 1459 CA TYR A 90 2.427 -12.115 -6.933 1.00 13.22 C ATOM 1460 C TYR A 90 3.337 -12.596 -5.777 1.00 4.42 C ATOM 1461 O TYR A 90 3.094 -12.244 -4.624 1.00 44.10 O ATOM 1462 CB TYR A 90 2.074 -10.608 -6.774 1.00 2.44 C ATOM 1463 CG TYR A 90 1.030 -10.086 -7.773 1.00 63.21 C ATOM 1464 CD1 TYR A 90 1.379 -9.788 -9.094 1.00 55.43 C ATOM 1465 CD2 TYR A 90 -0.304 -9.890 -7.389 1.00 61.13 C ATOM 1466 CE1 TYR A 90 0.442 -9.309 -9.988 1.00 14.34 C ATOM 1467 CE2 TYR A 90 -1.244 -9.414 -8.282 1.00 15.35 C ATOM 1468 CZ TYR A 90 -0.866 -9.129 -9.581 1.00 14.21 C ATOM 1469 OH TYR A 90 -1.792 -8.656 -10.479 1.00 72.10 O ATOM 0 H TYR A 90 0.683 -12.919 -6.073 1.00 14.21 H new ATOM 0 HA TYR A 90 2.960 -12.233 -7.877 1.00 13.22 H new ATOM 0 HB2 TYR A 90 1.705 -10.440 -5.762 1.00 2.44 H new ATOM 0 HB3 TYR A 90 2.986 -10.021 -6.882 1.00 2.44 H new ATOM 0 HD1 TYR A 90 2.398 -9.935 -9.420 1.00 55.43 H new ATOM 0 HD2 TYR A 90 -0.602 -10.115 -6.376 1.00 61.13 H new ATOM 0 HE1 TYR A 90 0.731 -9.076 -11.002 1.00 14.34 H new ATOM 0 HE2 TYR A 90 -2.267 -9.266 -7.968 1.00 15.35 H new ATOM 0 HH TYR A 90 -1.545 -8.940 -11.384 1.00 72.10 H new ATOM 1479 N PRO A 91 4.349 -13.478 -6.056 1.00 71.32 N ATOM 1480 CA PRO A 91 5.304 -13.954 -5.018 1.00 53.53 C ATOM 1481 C PRO A 91 6.132 -12.818 -4.373 1.00 41.04 C ATOM 1482 O PRO A 91 6.469 -12.882 -3.184 1.00 53.23 O ATOM 1483 CB PRO A 91 6.232 -14.944 -5.775 1.00 20.43 C ATOM 1484 CG PRO A 91 5.520 -15.274 -7.057 1.00 4.02 C ATOM 1485 CD PRO A 91 4.600 -14.112 -7.371 1.00 40.33 C ATOM 0 HA PRO A 91 4.770 -14.408 -4.183 1.00 53.53 H new ATOM 0 HB2 PRO A 91 7.205 -14.494 -5.973 1.00 20.43 H new ATOM 0 HB3 PRO A 91 6.410 -15.842 -5.184 1.00 20.43 H new ATOM 0 HG2 PRO A 91 6.235 -15.428 -7.865 1.00 4.02 H new ATOM 0 HG3 PRO A 91 4.951 -16.198 -6.954 1.00 4.02 H new ATOM 0 HD2 PRO A 91 5.065 -13.414 -8.067 1.00 40.33 H new ATOM 0 HD3 PRO A 91 3.673 -14.452 -7.832 1.00 40.33 H new ATOM 1493 N LYS A 92 6.458 -11.795 -5.177 1.00 50.34 N ATOM 1494 CA LYS A 92 7.390 -10.714 -4.772 1.00 20.43 C ATOM 1495 C LYS A 92 6.758 -9.637 -3.856 1.00 41.20 C ATOM 1496 O LYS A 92 7.499 -8.837 -3.268 1.00 23.53 O ATOM 1497 CB LYS A 92 8.022 -10.066 -6.032 1.00 43.23 C ATOM 1498 CG LYS A 92 8.823 -11.066 -6.898 1.00 10.35 C ATOM 1499 CD LYS A 92 9.588 -10.405 -8.072 1.00 2.10 C ATOM 1500 CE LYS A 92 10.394 -11.427 -8.906 1.00 24.15 C ATOM 1501 NZ LYS A 92 11.352 -12.211 -8.073 1.00 25.43 N ATOM 0 H LYS A 92 6.090 -11.687 -6.122 1.00 50.34 H new ATOM 0 HA LYS A 92 8.163 -11.186 -4.165 1.00 20.43 H new ATOM 0 HB2 LYS A 92 7.233 -9.622 -6.638 1.00 43.23 H new ATOM 0 HB3 LYS A 92 8.681 -9.255 -5.723 1.00 43.23 H new ATOM 0 HG2 LYS A 92 9.536 -11.592 -6.263 1.00 10.35 H new ATOM 0 HG3 LYS A 92 8.139 -11.815 -7.298 1.00 10.35 H new ATOM 0 HD2 LYS A 92 8.878 -9.892 -8.720 1.00 2.10 H new ATOM 0 HD3 LYS A 92 10.266 -9.647 -7.679 1.00 2.10 H new ATOM 0 HE2 LYS A 92 9.705 -12.110 -9.403 1.00 24.15 H new ATOM 0 HE3 LYS A 92 10.942 -10.902 -9.688 1.00 24.15 H new ATOM 0 HZ1 LYS A 92 11.984 -12.757 -8.692 1.00 25.43 H new ATOM 0 HZ2 LYS A 92 11.916 -11.561 -7.489 1.00 25.43 H new ATOM 0 HZ3 LYS A 92 10.824 -12.861 -7.457 1.00 25.43 H new ATOM 1515 N VAL A 93 5.414 -9.609 -3.724 1.00 32.00 N ATOM 1516 CA VAL A 93 4.729 -8.625 -2.848 1.00 65.32 C ATOM 1517 C VAL A 93 4.711 -9.117 -1.379 1.00 11.05 C ATOM 1518 O VAL A 93 4.543 -10.317 -1.116 1.00 10.20 O ATOM 1519 CB VAL A 93 3.244 -8.317 -3.328 1.00 14.23 C ATOM 1520 CG1 VAL A 93 2.354 -9.576 -3.310 1.00 10.50 C ATOM 1521 CG2 VAL A 93 2.590 -7.184 -2.495 1.00 72.14 C ATOM 0 H VAL A 93 4.784 -10.249 -4.207 1.00 32.00 H new ATOM 0 HA VAL A 93 5.299 -7.698 -2.915 1.00 65.32 H new ATOM 0 HB VAL A 93 3.323 -7.978 -4.361 1.00 14.23 H new ATOM 0 HG11 VAL A 93 1.350 -9.317 -3.645 1.00 10.50 H new ATOM 0 HG12 VAL A 93 2.776 -10.329 -3.976 1.00 10.50 H new ATOM 0 HG13 VAL A 93 2.306 -9.974 -2.296 1.00 10.50 H new ATOM 0 HG21 VAL A 93 1.577 -7.006 -2.856 1.00 72.14 H new ATOM 0 HG22 VAL A 93 2.555 -7.477 -1.446 1.00 72.14 H new ATOM 0 HG23 VAL A 93 3.178 -6.272 -2.597 1.00 72.14 H new ATOM 1531 N GLU A 94 4.940 -8.188 -0.437 1.00 20.25 N ATOM 1532 CA GLU A 94 4.648 -8.394 0.992 1.00 30.42 C ATOM 1533 C GLU A 94 3.203 -7.956 1.244 1.00 43.01 C ATOM 1534 O GLU A 94 2.829 -6.849 0.890 1.00 4.33 O ATOM 1535 CB GLU A 94 5.645 -7.601 1.902 1.00 53.35 C ATOM 1536 CG GLU A 94 6.907 -8.394 2.319 1.00 21.03 C ATOM 1537 CD GLU A 94 6.601 -9.553 3.297 1.00 1.21 C ATOM 1538 OE1 GLU A 94 6.808 -9.387 4.519 1.00 75.13 O ATOM 1539 OE2 GLU A 94 6.141 -10.638 2.862 1.00 74.33 O ATOM 0 H GLU A 94 5.334 -7.270 -0.645 1.00 20.25 H new ATOM 0 HA GLU A 94 4.771 -9.447 1.245 1.00 30.42 H new ATOM 0 HB2 GLU A 94 5.956 -6.698 1.377 1.00 53.35 H new ATOM 0 HB3 GLU A 94 5.119 -7.281 2.802 1.00 53.35 H new ATOM 0 HG2 GLU A 94 7.387 -8.797 1.427 1.00 21.03 H new ATOM 0 HG3 GLU A 94 7.619 -7.713 2.784 1.00 21.03 H new ATOM 1546 N THR A 95 2.384 -8.851 1.797 1.00 75.10 N ATOM 1547 CA THR A 95 0.985 -8.545 2.149 1.00 63.51 C ATOM 1548 C THR A 95 0.772 -8.820 3.640 1.00 24.24 C ATOM 1549 O THR A 95 1.572 -9.522 4.265 1.00 2.33 O ATOM 1550 CB THR A 95 -0.021 -9.389 1.306 1.00 12.45 C ATOM 1551 OG1 THR A 95 0.059 -10.761 1.688 1.00 23.24 O ATOM 1552 CG2 THR A 95 0.234 -9.279 -0.202 1.00 53.01 C ATOM 0 H THR A 95 2.664 -9.807 2.015 1.00 75.10 H new ATOM 0 HA THR A 95 0.798 -7.494 1.928 1.00 63.51 H new ATOM 0 HB THR A 95 -1.015 -8.989 1.507 1.00 12.45 H new ATOM 0 HG1 THR A 95 -0.745 -11.232 1.385 1.00 23.24 H new ATOM 0 HG21 THR A 95 -0.495 -9.886 -0.739 1.00 53.01 H new ATOM 0 HG22 THR A 95 0.139 -8.238 -0.512 1.00 53.01 H new ATOM 0 HG23 THR A 95 1.239 -9.634 -0.428 1.00 53.01 H new ATOM 1560 N ARG A 96 -0.300 -8.269 4.205 1.00 21.22 N ATOM 1561 CA ARG A 96 -0.639 -8.482 5.619 1.00 43.23 C ATOM 1562 C ARG A 96 -2.118 -8.175 5.866 1.00 24.33 C ATOM 1563 O ARG A 96 -2.615 -7.112 5.477 1.00 43.24 O ATOM 1564 CB ARG A 96 0.267 -7.616 6.535 1.00 35.04 C ATOM 1565 CG ARG A 96 -0.136 -7.588 8.028 1.00 24.33 C ATOM 1566 CD ARG A 96 0.776 -6.698 8.874 1.00 70.45 C ATOM 1567 NE ARG A 96 0.250 -6.520 10.236 1.00 75.12 N ATOM 1568 CZ ARG A 96 0.847 -5.821 11.208 1.00 32.10 C ATOM 1569 NH1 ARG A 96 2.019 -5.231 10.999 1.00 54.30 N ATOM 1570 NH2 ARG A 96 0.263 -5.716 12.385 1.00 23.11 N ATOM 0 H ARG A 96 -0.955 -7.667 3.706 1.00 21.22 H new ATOM 0 HA ARG A 96 -0.463 -9.530 5.863 1.00 43.23 H new ATOM 0 HB2 ARG A 96 1.290 -7.984 6.459 1.00 35.04 H new ATOM 0 HB3 ARG A 96 0.267 -6.594 6.156 1.00 35.04 H new ATOM 0 HG2 ARG A 96 -1.163 -7.234 8.115 1.00 24.33 H new ATOM 0 HG3 ARG A 96 -0.114 -8.603 8.424 1.00 24.33 H new ATOM 0 HD2 ARG A 96 1.772 -7.139 8.923 1.00 70.45 H new ATOM 0 HD3 ARG A 96 0.882 -5.725 8.394 1.00 70.45 H new ATOM 0 HE ARG A 96 -0.641 -6.965 10.457 1.00 75.12 H new ATOM 0 HH11 ARG A 96 2.474 -5.308 10.089 1.00 54.30 H new ATOM 0 HH12 ARG A 96 2.464 -4.701 11.748 1.00 54.30 H new ATOM 0 HH21 ARG A 96 -0.638 -6.166 12.549 1.00 23.11 H new ATOM 0 HH22 ARG A 96 0.712 -5.185 13.131 1.00 23.11 H new ATOM 1584 N ARG A 97 -2.800 -9.140 6.506 1.00 71.12 N ATOM 1585 CA ARG A 97 -4.164 -8.981 7.015 1.00 34.32 C ATOM 1586 C ARG A 97 -4.166 -7.868 8.076 1.00 31.30 C ATOM 1587 O ARG A 97 -3.480 -7.983 9.106 1.00 25.34 O ATOM 1588 CB ARG A 97 -4.650 -10.317 7.649 1.00 72.34 C ATOM 1589 CG ARG A 97 -6.122 -10.313 8.149 1.00 1.25 C ATOM 1590 CD ARG A 97 -6.425 -11.465 9.134 1.00 2.52 C ATOM 1591 NE ARG A 97 -5.997 -12.783 8.622 1.00 32.54 N ATOM 1592 CZ ARG A 97 -6.028 -13.937 9.317 1.00 61.52 C ATOM 1593 NH1 ARG A 97 -6.469 -13.969 10.571 1.00 42.33 N ATOM 1594 NH2 ARG A 97 -5.614 -15.059 8.739 1.00 25.11 N ATOM 0 H ARG A 97 -2.409 -10.065 6.685 1.00 71.12 H new ATOM 0 HA ARG A 97 -4.836 -8.716 6.199 1.00 34.32 H new ATOM 0 HB2 ARG A 97 -4.535 -11.113 6.914 1.00 72.34 H new ATOM 0 HB3 ARG A 97 -3.998 -10.561 8.488 1.00 72.34 H new ATOM 0 HG2 ARG A 97 -6.333 -9.361 8.636 1.00 1.25 H new ATOM 0 HG3 ARG A 97 -6.792 -10.388 7.292 1.00 1.25 H new ATOM 0 HD2 ARG A 97 -5.924 -11.268 10.082 1.00 2.52 H new ATOM 0 HD3 ARG A 97 -7.495 -11.490 9.339 1.00 2.52 H new ATOM 0 HE ARG A 97 -5.650 -12.823 7.664 1.00 32.54 H new ATOM 0 HH11 ARG A 97 -6.790 -13.112 11.021 1.00 42.33 H new ATOM 0 HH12 ARG A 97 -6.486 -14.851 11.083 1.00 42.33 H new ATOM 0 HH21 ARG A 97 -5.276 -15.042 7.777 1.00 25.11 H new ATOM 0 HH22 ARG A 97 -5.634 -15.937 9.257 1.00 25.11 H new ATOM 1608 N ALA A 98 -4.895 -6.786 7.801 1.00 40.24 N ATOM 1609 CA ALA A 98 -5.012 -5.650 8.708 1.00 51.33 C ATOM 1610 C ALA A 98 -6.474 -5.221 8.720 1.00 12.05 C ATOM 1611 O ALA A 98 -6.949 -4.567 7.785 1.00 41.41 O ATOM 1612 CB ALA A 98 -4.073 -4.513 8.257 1.00 1.04 C ATOM 0 H ALA A 98 -5.424 -6.675 6.936 1.00 40.24 H new ATOM 0 HA ALA A 98 -4.710 -5.918 9.720 1.00 51.33 H new ATOM 0 HB1 ALA A 98 -4.168 -3.670 8.941 1.00 1.04 H new ATOM 0 HB2 ALA A 98 -3.043 -4.869 8.261 1.00 1.04 H new ATOM 0 HB3 ALA A 98 -4.343 -4.196 7.250 1.00 1.04 H new ATOM 1618 N GLN A 99 -7.173 -5.609 9.794 1.00 14.51 N ATOM 1619 CA GLN A 99 -8.618 -5.374 9.964 1.00 53.33 C ATOM 1620 C GLN A 99 -8.870 -4.090 10.751 1.00 1.35 C ATOM 1621 O GLN A 99 -10.024 -3.690 10.928 1.00 44.34 O ATOM 1622 CB GLN A 99 -9.279 -6.595 10.667 1.00 24.35 C ATOM 1623 CG GLN A 99 -9.152 -7.919 9.882 1.00 21.33 C ATOM 1624 CD GLN A 99 -9.864 -9.106 10.534 1.00 25.11 C ATOM 1625 OE1 GLN A 99 -9.974 -9.194 11.762 1.00 2.22 O ATOM 1626 NE2 GLN A 99 -10.362 -10.028 9.722 1.00 13.40 N ATOM 0 H GLN A 99 -6.749 -6.101 10.580 1.00 14.51 H new ATOM 0 HA GLN A 99 -9.070 -5.255 8.979 1.00 53.33 H new ATOM 0 HB2 GLN A 99 -8.827 -6.723 11.650 1.00 24.35 H new ATOM 0 HB3 GLN A 99 -10.335 -6.380 10.828 1.00 24.35 H new ATOM 0 HG2 GLN A 99 -9.555 -7.774 8.880 1.00 21.33 H new ATOM 0 HG3 GLN A 99 -8.095 -8.161 9.769 1.00 21.33 H new ATOM 0 HE21 GLN A 99 -10.256 -9.929 8.712 1.00 13.40 H new ATOM 0 HE22 GLN A 99 -10.851 -10.836 10.107 1.00 13.40 H new ATOM 1635 N ASP A 100 -7.789 -3.438 11.212 1.00 11.34 N ATOM 1636 CA ASP A 100 -7.880 -2.209 12.008 1.00 2.01 C ATOM 1637 C ASP A 100 -6.813 -1.209 11.534 1.00 65.33 C ATOM 1638 O ASP A 100 -5.754 -1.606 11.036 1.00 43.41 O ATOM 1639 CB ASP A 100 -7.699 -2.536 13.520 1.00 42.33 C ATOM 1640 CG ASP A 100 -8.257 -1.431 14.441 1.00 30.34 C ATOM 1641 OD1 ASP A 100 -9.381 -1.594 14.966 1.00 42.32 O ATOM 1642 OD2 ASP A 100 -7.596 -0.386 14.619 1.00 52.22 O ATOM 0 H ASP A 100 -6.833 -3.749 11.042 1.00 11.34 H new ATOM 0 HA ASP A 100 -8.864 -1.761 11.873 1.00 2.01 H new ATOM 0 HB2 ASP A 100 -8.199 -3.478 13.746 1.00 42.33 H new ATOM 0 HB3 ASP A 100 -6.639 -2.679 13.732 1.00 42.33 H new ATOM 1647 N LYS A 101 -7.100 0.080 11.750 1.00 44.54 N ATOM 1648 CA LYS A 101 -6.255 1.215 11.318 1.00 60.45 C ATOM 1649 C LYS A 101 -4.924 1.278 12.088 1.00 22.35 C ATOM 1650 O LYS A 101 -3.923 1.796 11.572 1.00 73.24 O ATOM 1651 CB LYS A 101 -7.067 2.528 11.473 1.00 23.41 C ATOM 1652 CG LYS A 101 -7.611 2.790 12.899 1.00 10.12 C ATOM 1653 CD LYS A 101 -8.586 3.990 12.941 1.00 25.31 C ATOM 1654 CE LYS A 101 -9.106 4.285 14.351 1.00 71.23 C ATOM 1655 NZ LYS A 101 -10.099 5.387 14.355 1.00 34.40 N ATOM 0 H LYS A 101 -7.944 0.377 12.240 1.00 44.54 H new ATOM 0 HA LYS A 101 -5.986 1.074 10.271 1.00 60.45 H new ATOM 0 HB2 LYS A 101 -6.435 3.366 11.181 1.00 23.41 H new ATOM 0 HB3 LYS A 101 -7.906 2.504 10.778 1.00 23.41 H new ATOM 0 HG2 LYS A 101 -8.121 1.897 13.261 1.00 10.12 H new ATOM 0 HG3 LYS A 101 -6.777 2.978 13.575 1.00 10.12 H new ATOM 0 HD2 LYS A 101 -8.082 4.875 12.552 1.00 25.31 H new ATOM 0 HD3 LYS A 101 -9.431 3.789 12.282 1.00 25.31 H new ATOM 0 HE2 LYS A 101 -9.560 3.385 14.766 1.00 71.23 H new ATOM 0 HE3 LYS A 101 -8.270 4.548 14.999 1.00 71.23 H new ATOM 0 HZ1 LYS A 101 -9.680 6.231 14.795 1.00 34.40 H new ATOM 0 HZ2 LYS A 101 -10.376 5.608 13.377 1.00 34.40 H new ATOM 0 HZ3 LYS A 101 -10.939 5.096 14.895 1.00 34.40 H new ATOM 1669 N GLU A 102 -4.939 0.725 13.316 1.00 32.51 N ATOM 1670 CA GLU A 102 -3.751 0.602 14.172 1.00 73.41 C ATOM 1671 C GLU A 102 -2.772 -0.384 13.545 1.00 33.33 C ATOM 1672 O GLU A 102 -1.604 -0.079 13.350 1.00 11.34 O ATOM 1673 CB GLU A 102 -4.159 0.139 15.592 1.00 30.12 C ATOM 1674 CG GLU A 102 -5.142 1.089 16.271 1.00 51.20 C ATOM 1675 CD GLU A 102 -5.436 0.735 17.740 1.00 62.23 C ATOM 1676 OE1 GLU A 102 -6.329 -0.108 17.993 1.00 23.14 O ATOM 1677 OE2 GLU A 102 -4.769 1.282 18.648 1.00 34.03 O ATOM 0 H GLU A 102 -5.786 0.349 13.743 1.00 32.51 H new ATOM 0 HA GLU A 102 -3.266 1.574 14.259 1.00 73.41 H new ATOM 0 HB2 GLU A 102 -4.606 -0.853 15.530 1.00 30.12 H new ATOM 0 HB3 GLU A 102 -3.265 0.048 16.209 1.00 30.12 H new ATOM 0 HG2 GLU A 102 -4.744 2.103 16.224 1.00 51.20 H new ATOM 0 HG3 GLU A 102 -6.078 1.088 15.713 1.00 51.20 H new ATOM 1684 N GLU A 103 -3.314 -1.549 13.179 1.00 52.03 N ATOM 1685 CA GLU A 103 -2.558 -2.632 12.501 1.00 4.51 C ATOM 1686 C GLU A 103 -1.949 -2.166 11.161 1.00 1.41 C ATOM 1687 O GLU A 103 -0.862 -2.618 10.785 1.00 73.22 O ATOM 1688 CB GLU A 103 -3.469 -3.873 12.271 1.00 70.54 C ATOM 1689 CG GLU A 103 -3.881 -4.609 13.563 1.00 14.14 C ATOM 1690 CD GLU A 103 -2.676 -5.189 14.338 1.00 23.12 C ATOM 1691 OE1 GLU A 103 -2.147 -6.244 13.932 1.00 0.44 O ATOM 1692 OE2 GLU A 103 -2.252 -4.596 15.357 1.00 5.34 O ATOM 0 H GLU A 103 -4.294 -1.779 13.341 1.00 52.03 H new ATOM 0 HA GLU A 103 -1.734 -2.908 13.159 1.00 4.51 H new ATOM 0 HB2 GLU A 103 -4.369 -3.555 11.745 1.00 70.54 H new ATOM 0 HB3 GLU A 103 -2.949 -4.574 11.618 1.00 70.54 H new ATOM 0 HG2 GLU A 103 -4.424 -3.920 14.210 1.00 14.14 H new ATOM 0 HG3 GLU A 103 -4.567 -5.418 13.311 1.00 14.14 H new ATOM 1699 N VAL A 104 -2.662 -1.260 10.457 1.00 13.13 N ATOM 1700 CA VAL A 104 -2.211 -0.716 9.166 1.00 51.10 C ATOM 1701 C VAL A 104 -0.998 0.206 9.345 1.00 20.00 C ATOM 1702 O VAL A 104 0.042 -0.034 8.738 1.00 71.12 O ATOM 1703 CB VAL A 104 -3.361 0.048 8.411 1.00 14.12 C ATOM 1704 CG1 VAL A 104 -2.838 0.729 7.122 1.00 4.40 C ATOM 1705 CG2 VAL A 104 -4.528 -0.913 8.085 1.00 33.33 C ATOM 0 H VAL A 104 -3.560 -0.890 10.769 1.00 13.13 H new ATOM 0 HA VAL A 104 -1.918 -1.569 8.554 1.00 51.10 H new ATOM 0 HB VAL A 104 -3.730 0.832 9.073 1.00 14.12 H new ATOM 0 HG11 VAL A 104 -3.658 1.247 6.626 1.00 4.40 H new ATOM 0 HG12 VAL A 104 -2.059 1.446 7.380 1.00 4.40 H new ATOM 0 HG13 VAL A 104 -2.428 -0.027 6.452 1.00 4.40 H new ATOM 0 HG21 VAL A 104 -5.314 -0.367 7.563 1.00 33.33 H new ATOM 0 HG22 VAL A 104 -4.166 -1.723 7.451 1.00 33.33 H new ATOM 0 HG23 VAL A 104 -4.927 -1.327 9.011 1.00 33.33 H new ATOM 1715 N LYS A 105 -1.148 1.259 10.182 1.00 73.21 N ATOM 1716 CA LYS A 105 -0.099 2.283 10.369 1.00 12.05 C ATOM 1717 C LYS A 105 1.190 1.656 10.946 1.00 43.23 C ATOM 1718 O LYS A 105 2.296 2.090 10.616 1.00 14.52 O ATOM 1719 CB LYS A 105 -0.602 3.447 11.267 1.00 32.22 C ATOM 1720 CG LYS A 105 -0.943 3.046 12.715 1.00 41.34 C ATOM 1721 CD LYS A 105 -1.461 4.224 13.566 1.00 52.32 C ATOM 1722 CE LYS A 105 -1.718 3.818 15.027 1.00 64.40 C ATOM 1723 NZ LYS A 105 -2.234 4.945 15.837 1.00 11.32 N ATOM 0 H LYS A 105 -1.988 1.420 10.738 1.00 73.21 H new ATOM 0 HA LYS A 105 0.138 2.698 9.389 1.00 12.05 H new ATOM 0 HB2 LYS A 105 0.161 4.225 11.291 1.00 32.22 H new ATOM 0 HB3 LYS A 105 -1.489 3.884 10.808 1.00 32.22 H new ATOM 0 HG2 LYS A 105 -1.697 2.259 12.699 1.00 41.34 H new ATOM 0 HG3 LYS A 105 -0.055 2.627 13.188 1.00 41.34 H new ATOM 0 HD2 LYS A 105 -0.735 5.036 13.539 1.00 52.32 H new ATOM 0 HD3 LYS A 105 -2.384 4.607 13.130 1.00 52.32 H new ATOM 0 HE2 LYS A 105 -2.433 2.996 15.054 1.00 64.40 H new ATOM 0 HE3 LYS A 105 -0.792 3.449 15.468 1.00 64.40 H new ATOM 0 HZ1 LYS A 105 -2.583 4.586 16.749 1.00 11.32 H new ATOM 0 HZ2 LYS A 105 -1.470 5.631 16.004 1.00 11.32 H new ATOM 0 HZ3 LYS A 105 -3.012 5.411 15.328 1.00 11.32 H new ATOM 1737 N ASP A 106 1.021 0.636 11.816 1.00 43.10 N ATOM 1738 CA ASP A 106 2.135 -0.167 12.351 1.00 5.34 C ATOM 1739 C ASP A 106 2.844 -0.936 11.225 1.00 23.11 C ATOM 1740 O ASP A 106 4.070 -0.913 11.139 1.00 61.52 O ATOM 1741 CB ASP A 106 1.631 -1.158 13.439 1.00 1.42 C ATOM 1742 CG ASP A 106 1.114 -0.505 14.739 1.00 32.13 C ATOM 1743 OD1 ASP A 106 0.989 -1.217 15.764 1.00 43.35 O ATOM 1744 OD2 ASP A 106 0.810 0.707 14.752 1.00 21.10 O ATOM 0 H ASP A 106 0.107 0.349 12.165 1.00 43.10 H new ATOM 0 HA ASP A 106 2.849 0.517 12.809 1.00 5.34 H new ATOM 0 HB2 ASP A 106 0.831 -1.763 13.013 1.00 1.42 H new ATOM 0 HB3 ASP A 106 2.444 -1.838 13.692 1.00 1.42 H new ATOM 1749 N ALA A 107 2.051 -1.587 10.344 1.00 53.43 N ATOM 1750 CA ALA A 107 2.580 -2.370 9.204 1.00 35.51 C ATOM 1751 C ALA A 107 3.376 -1.475 8.244 1.00 14.24 C ATOM 1752 O ALA A 107 4.371 -1.911 7.662 1.00 73.33 O ATOM 1753 CB ALA A 107 1.433 -3.062 8.458 1.00 31.01 C ATOM 0 H ALA A 107 1.033 -1.585 10.402 1.00 53.43 H new ATOM 0 HA ALA A 107 3.255 -3.130 9.598 1.00 35.51 H new ATOM 0 HB1 ALA A 107 1.835 -3.634 7.622 1.00 31.01 H new ATOM 0 HB2 ALA A 107 0.909 -3.733 9.138 1.00 31.01 H new ATOM 0 HB3 ALA A 107 0.738 -2.311 8.082 1.00 31.01 H new ATOM 1759 N VAL A 108 2.906 -0.222 8.103 1.00 10.22 N ATOM 1760 CA VAL A 108 3.581 0.827 7.340 1.00 22.15 C ATOM 1761 C VAL A 108 4.954 1.122 7.974 1.00 53.13 C ATOM 1762 O VAL A 108 5.979 1.029 7.298 1.00 5.13 O ATOM 1763 CB VAL A 108 2.691 2.132 7.286 1.00 24.54 C ATOM 1764 CG1 VAL A 108 3.457 3.337 6.692 1.00 61.42 C ATOM 1765 CG2 VAL A 108 1.380 1.875 6.497 1.00 22.01 C ATOM 0 H VAL A 108 2.031 0.088 8.526 1.00 10.22 H new ATOM 0 HA VAL A 108 3.733 0.486 6.316 1.00 22.15 H new ATOM 0 HB VAL A 108 2.435 2.386 8.315 1.00 24.54 H new ATOM 0 HG11 VAL A 108 2.805 4.210 6.675 1.00 61.42 H new ATOM 0 HG12 VAL A 108 4.333 3.550 7.305 1.00 61.42 H new ATOM 0 HG13 VAL A 108 3.774 3.102 5.676 1.00 61.42 H new ATOM 0 HG21 VAL A 108 0.784 2.788 6.474 1.00 22.01 H new ATOM 0 HG22 VAL A 108 1.622 1.573 5.478 1.00 22.01 H new ATOM 0 HG23 VAL A 108 0.811 1.083 6.984 1.00 22.01 H new ATOM 1775 N GLU A 109 4.942 1.398 9.294 1.00 73.13 N ATOM 1776 CA GLU A 109 6.137 1.790 10.065 1.00 62.31 C ATOM 1777 C GLU A 109 7.258 0.739 9.956 1.00 22.43 C ATOM 1778 O GLU A 109 8.379 1.070 9.560 1.00 53.14 O ATOM 1779 CB GLU A 109 5.753 2.020 11.546 1.00 12.53 C ATOM 1780 CG GLU A 109 6.918 2.499 12.446 1.00 31.22 C ATOM 1781 CD GLU A 109 6.576 2.716 13.930 1.00 13.53 C ATOM 1782 OE1 GLU A 109 7.440 3.234 14.671 1.00 34.23 O ATOM 1783 OE2 GLU A 109 5.463 2.367 14.373 1.00 11.33 O ATOM 0 H GLU A 109 4.094 1.354 9.859 1.00 73.13 H new ATOM 0 HA GLU A 109 6.521 2.718 9.642 1.00 62.31 H new ATOM 0 HB2 GLU A 109 4.951 2.757 11.590 1.00 12.53 H new ATOM 0 HB3 GLU A 109 5.355 1.091 11.953 1.00 12.53 H new ATOM 0 HG2 GLU A 109 7.725 1.769 12.382 1.00 31.22 H new ATOM 0 HG3 GLU A 109 7.303 3.435 12.041 1.00 31.22 H new ATOM 1790 N GLU A 110 6.916 -0.518 10.277 1.00 63.12 N ATOM 1791 CA GLU A 110 7.845 -1.659 10.225 1.00 10.14 C ATOM 1792 C GLU A 110 8.409 -1.890 8.803 1.00 23.11 C ATOM 1793 O GLU A 110 9.578 -2.260 8.653 1.00 11.15 O ATOM 1794 CB GLU A 110 7.132 -2.944 10.761 1.00 10.10 C ATOM 1795 CG GLU A 110 7.128 -3.119 12.302 1.00 44.14 C ATOM 1796 CD GLU A 110 6.337 -2.046 13.082 1.00 41.41 C ATOM 1797 OE1 GLU A 110 6.894 -0.959 13.370 1.00 11.34 O ATOM 1798 OE2 GLU A 110 5.162 -2.293 13.423 1.00 3.40 O ATOM 0 H GLU A 110 5.977 -0.774 10.583 1.00 63.12 H new ATOM 0 HA GLU A 110 8.697 -1.428 10.864 1.00 10.14 H new ATOM 0 HB2 GLU A 110 6.099 -2.936 10.412 1.00 10.10 H new ATOM 0 HB3 GLU A 110 7.612 -3.816 10.316 1.00 10.10 H new ATOM 0 HG2 GLU A 110 6.713 -4.098 12.540 1.00 44.14 H new ATOM 0 HG3 GLU A 110 8.159 -3.116 12.655 1.00 44.14 H new ATOM 1805 N PHE A 111 7.573 -1.651 7.772 1.00 52.43 N ATOM 1806 CA PHE A 111 7.958 -1.844 6.361 1.00 40.12 C ATOM 1807 C PHE A 111 8.986 -0.773 5.932 1.00 1.32 C ATOM 1808 O PHE A 111 9.911 -1.066 5.168 1.00 35.31 O ATOM 1809 CB PHE A 111 6.686 -1.793 5.465 1.00 32.21 C ATOM 1810 CG PHE A 111 6.884 -2.210 4.003 1.00 63.35 C ATOM 1811 CD1 PHE A 111 7.029 -3.558 3.662 1.00 72.43 C ATOM 1812 CD2 PHE A 111 6.901 -1.266 2.971 1.00 61.33 C ATOM 1813 CE1 PHE A 111 7.191 -3.946 2.343 1.00 63.32 C ATOM 1814 CE2 PHE A 111 7.065 -1.656 1.653 1.00 22.44 C ATOM 1815 CZ PHE A 111 7.207 -2.995 1.341 1.00 54.25 C ATOM 0 H PHE A 111 6.616 -1.320 7.894 1.00 52.43 H new ATOM 0 HA PHE A 111 8.428 -2.820 6.243 1.00 40.12 H new ATOM 0 HB2 PHE A 111 5.927 -2.438 5.908 1.00 32.21 H new ATOM 0 HB3 PHE A 111 6.292 -0.777 5.483 1.00 32.21 H new ATOM 0 HD1 PHE A 111 7.014 -4.308 4.439 1.00 72.43 H new ATOM 0 HD2 PHE A 111 6.785 -0.218 3.206 1.00 61.33 H new ATOM 0 HE1 PHE A 111 7.305 -4.992 2.097 1.00 63.32 H new ATOM 0 HE2 PHE A 111 7.082 -0.914 0.868 1.00 22.44 H new ATOM 0 HZ PHE A 111 7.331 -3.298 0.312 1.00 54.25 H new ATOM 1825 N LEU A 112 8.809 0.462 6.455 1.00 5.01 N ATOM 1826 CA LEU A 112 9.661 1.621 6.121 1.00 51.15 C ATOM 1827 C LEU A 112 11.016 1.582 6.854 1.00 75.43 C ATOM 1828 O LEU A 112 12.013 2.069 6.313 1.00 21.22 O ATOM 1829 CB LEU A 112 8.923 2.957 6.422 1.00 10.54 C ATOM 1830 CG LEU A 112 7.560 3.167 5.687 1.00 2.31 C ATOM 1831 CD1 LEU A 112 6.979 4.557 5.966 1.00 72.04 C ATOM 1832 CD2 LEU A 112 7.673 2.906 4.179 1.00 63.32 C ATOM 0 H LEU A 112 8.069 0.681 7.122 1.00 5.01 H new ATOM 0 HA LEU A 112 9.866 1.563 5.052 1.00 51.15 H new ATOM 0 HB2 LEU A 112 8.747 3.018 7.496 1.00 10.54 H new ATOM 0 HB3 LEU A 112 9.585 3.782 6.160 1.00 10.54 H new ATOM 0 HG LEU A 112 6.867 2.429 6.091 1.00 2.31 H new ATOM 0 HD11 LEU A 112 6.031 4.668 5.439 1.00 72.04 H new ATOM 0 HD12 LEU A 112 6.814 4.674 7.037 1.00 72.04 H new ATOM 0 HD13 LEU A 112 7.677 5.319 5.621 1.00 72.04 H new ATOM 0 HD21 LEU A 112 6.702 3.064 3.709 1.00 63.32 H new ATOM 0 HD22 LEU A 112 8.402 3.590 3.745 1.00 63.32 H new ATOM 0 HD23 LEU A 112 7.995 1.878 4.011 1.00 63.32 H new ATOM 1844 N LYS A 113 11.046 1.009 8.081 1.00 1.14 N ATOM 1845 CA LYS A 113 12.300 0.895 8.867 1.00 2.23 C ATOM 1846 C LYS A 113 13.266 -0.099 8.199 1.00 63.01 C ATOM 1847 O LYS A 113 14.488 0.121 8.165 1.00 31.42 O ATOM 1848 CB LYS A 113 12.032 0.478 10.340 1.00 41.21 C ATOM 1849 CG LYS A 113 11.215 1.508 11.155 1.00 41.33 C ATOM 1850 CD LYS A 113 11.302 1.281 12.679 1.00 54.12 C ATOM 1851 CE LYS A 113 10.422 2.248 13.485 1.00 51.12 C ATOM 1852 NZ LYS A 113 10.696 3.676 13.164 1.00 33.25 N ATOM 0 H LYS A 113 10.225 0.621 8.545 1.00 1.14 H new ATOM 0 HA LYS A 113 12.759 1.883 8.886 1.00 2.23 H new ATOM 0 HB2 LYS A 113 11.502 -0.474 10.345 1.00 41.21 H new ATOM 0 HB3 LYS A 113 12.987 0.314 10.838 1.00 41.21 H new ATOM 0 HG2 LYS A 113 11.571 2.511 10.922 1.00 41.33 H new ATOM 0 HG3 LYS A 113 10.171 1.461 10.846 1.00 41.33 H new ATOM 0 HD2 LYS A 113 11.006 0.256 12.905 1.00 54.12 H new ATOM 0 HD3 LYS A 113 12.338 1.391 12.998 1.00 54.12 H new ATOM 0 HE2 LYS A 113 9.373 2.030 13.286 1.00 51.12 H new ATOM 0 HE3 LYS A 113 10.586 2.081 14.550 1.00 51.12 H new ATOM 0 HZ1 LYS A 113 10.218 4.286 13.858 1.00 33.25 H new ATOM 0 HZ2 LYS A 113 11.721 3.849 13.199 1.00 33.25 H new ATOM 0 HZ3 LYS A 113 10.341 3.892 12.211 1.00 33.25 H new ATOM 1866 N GLU A 114 12.696 -1.190 7.660 1.00 2.23 N ATOM 1867 CA GLU A 114 13.460 -2.219 6.933 1.00 64.34 C ATOM 1868 C GLU A 114 13.649 -1.841 5.449 1.00 13.31 C ATOM 1869 O GLU A 114 14.558 -2.351 4.785 1.00 64.33 O ATOM 1870 CB GLU A 114 12.729 -3.581 7.048 1.00 54.54 C ATOM 1871 CG GLU A 114 12.515 -4.076 8.493 1.00 45.34 C ATOM 1872 CD GLU A 114 13.824 -4.376 9.249 1.00 74.51 C ATOM 1873 OE1 GLU A 114 14.378 -5.488 9.082 1.00 4.01 O ATOM 1874 OE2 GLU A 114 14.313 -3.508 10.011 1.00 14.50 O ATOM 0 H GLU A 114 11.696 -1.383 7.715 1.00 2.23 H new ATOM 0 HA GLU A 114 14.450 -2.293 7.383 1.00 64.34 H new ATOM 0 HB2 GLU A 114 11.759 -3.500 6.558 1.00 54.54 H new ATOM 0 HB3 GLU A 114 13.300 -4.332 6.502 1.00 54.54 H new ATOM 0 HG2 GLU A 114 11.952 -3.323 9.045 1.00 45.34 H new ATOM 0 HG3 GLU A 114 11.904 -4.979 8.471 1.00 45.34 H new ATOM 1881 N GLY A 115 12.780 -0.949 4.935 1.00 44.34 N ATOM 1882 CA GLY A 115 12.859 -0.474 3.548 1.00 13.03 C ATOM 1883 C GLY A 115 12.165 -1.382 2.528 1.00 4.35 C ATOM 1884 O GLY A 115 11.981 -0.983 1.363 1.00 30.41 O ATOM 0 H GLY A 115 12.011 -0.543 5.468 1.00 44.34 H new ATOM 0 HA2 GLY A 115 12.416 0.520 3.492 1.00 13.03 H new ATOM 0 HA3 GLY A 115 13.908 -0.372 3.271 1.00 13.03 H new ATOM 1888 N GLY A 116 11.798 -2.607 2.944 1.00 74.11 N ATOM 1889 CA GLY A 116 11.122 -3.555 2.060 1.00 1.21 C ATOM 1890 C GLY A 116 10.878 -4.904 2.712 1.00 41.45 C ATOM 1891 O GLY A 116 10.952 -5.940 2.043 1.00 54.32 O ATOM 0 H GLY A 116 11.961 -2.958 3.888 1.00 74.11 H new ATOM 0 HA2 GLY A 116 10.168 -3.132 1.745 1.00 1.21 H new ATOM 0 HA3 GLY A 116 11.721 -3.696 1.161 1.00 1.21 H new ATOM 1895 N SER A 117 10.572 -4.891 4.026 1.00 61.03 N ATOM 1896 CA SER A 117 10.274 -6.108 4.806 1.00 2.14 C ATOM 1897 C SER A 117 9.325 -5.765 5.960 1.00 53.15 C ATOM 1898 O SER A 117 9.512 -4.754 6.641 1.00 23.22 O ATOM 1899 CB SER A 117 11.571 -6.756 5.369 1.00 63.14 C ATOM 1900 OG SER A 117 12.407 -7.250 4.336 1.00 32.42 O ATOM 0 H SER A 117 10.525 -4.034 4.576 1.00 61.03 H new ATOM 0 HA SER A 117 9.799 -6.827 4.138 1.00 2.14 H new ATOM 0 HB2 SER A 117 12.118 -6.020 5.958 1.00 63.14 H new ATOM 0 HB3 SER A 117 11.307 -7.571 6.043 1.00 63.14 H new ATOM 0 HG SER A 117 12.380 -8.230 4.333 1.00 32.42 H new ATOM 1906 N LEU A 118 8.302 -6.604 6.154 1.00 52.33 N ATOM 1907 CA LEU A 118 7.391 -6.515 7.307 1.00 12.34 C ATOM 1908 C LEU A 118 8.022 -7.150 8.552 1.00 60.24 C ATOM 1909 O LEU A 118 9.162 -7.635 8.523 1.00 2.31 O ATOM 1910 CB LEU A 118 6.069 -7.250 6.984 1.00 33.00 C ATOM 1911 CG LEU A 118 5.116 -6.556 5.988 1.00 3.34 C ATOM 1912 CD1 LEU A 118 3.935 -7.482 5.645 1.00 4.02 C ATOM 1913 CD2 LEU A 118 4.634 -5.207 6.563 1.00 52.43 C ATOM 0 H LEU A 118 8.079 -7.367 5.515 1.00 52.33 H new ATOM 0 HA LEU A 118 7.196 -5.461 7.507 1.00 12.34 H new ATOM 0 HB2 LEU A 118 6.315 -8.236 6.589 1.00 33.00 H new ATOM 0 HB3 LEU A 118 5.530 -7.407 7.918 1.00 33.00 H new ATOM 0 HG LEU A 118 5.654 -6.350 5.063 1.00 3.34 H new ATOM 0 HD11 LEU A 118 3.271 -6.980 4.942 1.00 4.02 H new ATOM 0 HD12 LEU A 118 4.312 -8.401 5.195 1.00 4.02 H new ATOM 0 HD13 LEU A 118 3.385 -7.722 6.555 1.00 4.02 H new ATOM 0 HD21 LEU A 118 3.962 -4.727 5.851 1.00 52.43 H new ATOM 0 HD22 LEU A 118 4.106 -5.379 7.501 1.00 52.43 H new ATOM 0 HD23 LEU A 118 5.493 -4.561 6.744 1.00 52.43 H new ATOM 1925 N GLU A 119 7.255 -7.127 9.649 1.00 0.10 N ATOM 1926 CA GLU A 119 7.514 -7.968 10.836 1.00 25.40 C ATOM 1927 C GLU A 119 7.267 -9.459 10.482 1.00 45.22 C ATOM 1928 O GLU A 119 7.829 -10.364 11.114 1.00 13.31 O ATOM 1929 CB GLU A 119 6.672 -7.492 12.076 1.00 42.31 C ATOM 1930 CG GLU A 119 5.299 -6.820 11.781 1.00 63.21 C ATOM 1931 CD GLU A 119 4.301 -7.698 11.003 1.00 1.40 C ATOM 1932 OE1 GLU A 119 3.707 -8.613 11.607 1.00 74.14 O ATOM 1933 OE2 GLU A 119 4.113 -7.477 9.780 1.00 3.53 O ATOM 0 H GLU A 119 6.436 -6.527 9.744 1.00 0.10 H new ATOM 0 HA GLU A 119 8.559 -7.861 11.128 1.00 25.40 H new ATOM 0 HB2 GLU A 119 6.496 -8.355 12.718 1.00 42.31 H new ATOM 0 HB3 GLU A 119 7.278 -6.789 12.647 1.00 42.31 H new ATOM 0 HG2 GLU A 119 4.843 -6.528 12.727 1.00 63.21 H new ATOM 0 HG3 GLU A 119 5.473 -5.905 11.215 1.00 63.21 H new ATOM 1940 N HIS A 120 6.403 -9.679 9.453 1.00 43.51 N ATOM 1941 CA HIS A 120 6.242 -10.975 8.762 1.00 3.20 C ATOM 1942 C HIS A 120 7.597 -11.485 8.250 1.00 62.33 C ATOM 1943 O HIS A 120 7.945 -12.659 8.433 1.00 34.44 O ATOM 1944 CB HIS A 120 5.251 -10.844 7.567 1.00 14.12 C ATOM 1945 CG HIS A 120 5.189 -12.068 6.680 1.00 23.24 C ATOM 1946 ND1 HIS A 120 5.881 -12.169 5.492 1.00 31.42 N ATOM 1947 CD2 HIS A 120 4.547 -13.248 6.833 1.00 44.20 C ATOM 1948 CE1 HIS A 120 5.666 -13.351 4.965 1.00 32.21 C ATOM 1949 NE2 HIS A 120 4.859 -14.024 5.755 1.00 54.35 N ATOM 0 H HIS A 120 5.795 -8.949 9.081 1.00 43.51 H new ATOM 0 HA HIS A 120 5.839 -11.689 9.480 1.00 3.20 H new ATOM 0 HB2 HIS A 120 4.254 -10.640 7.957 1.00 14.12 H new ATOM 0 HB3 HIS A 120 5.539 -9.984 6.962 1.00 14.12 H new ATOM 0 HD1 HIS A 120 6.468 -11.440 5.087 1.00 31.42 H new ATOM 0 HD2 HIS A 120 3.906 -13.525 7.657 1.00 44.20 H new ATOM 0 HE1 HIS A 120 6.083 -13.711 4.036 1.00 32.21 H new ATOM 1958 N HIS A 121 8.352 -10.588 7.595 1.00 22.34 N ATOM 1959 CA HIS A 121 9.676 -10.905 7.033 1.00 43.42 C ATOM 1960 C HIS A 121 10.772 -10.311 7.943 1.00 50.43 C ATOM 1961 O HIS A 121 11.620 -9.513 7.506 1.00 52.21 O ATOM 1962 CB HIS A 121 9.775 -10.393 5.572 1.00 45.21 C ATOM 1963 CG HIS A 121 10.965 -10.920 4.815 1.00 25.03 C ATOM 1964 ND1 HIS A 121 12.104 -10.186 4.590 1.00 22.42 N ATOM 1965 CD2 HIS A 121 11.189 -12.129 4.252 1.00 12.12 C ATOM 1966 CE1 HIS A 121 12.961 -10.907 3.909 1.00 3.11 C ATOM 1967 NE2 HIS A 121 12.435 -12.095 3.695 1.00 33.33 N ATOM 0 H HIS A 121 8.062 -9.622 7.440 1.00 22.34 H new ATOM 0 HA HIS A 121 9.821 -11.985 6.999 1.00 43.42 H new ATOM 0 HB2 HIS A 121 8.866 -10.671 5.038 1.00 45.21 H new ATOM 0 HB3 HIS A 121 9.818 -9.304 5.582 1.00 45.21 H new ATOM 0 HD2 HIS A 121 10.508 -12.967 4.244 1.00 12.12 H new ATOM 0 HE1 HIS A 121 13.936 -10.581 3.578 1.00 3.11 H new ATOM 0 HE2 HIS A 121 12.884 -12.863 3.196 1.00 33.33 H new ATOM 1976 N HIS A 122 10.704 -10.693 9.232 1.00 31.13 N ATOM 1977 CA HIS A 122 11.715 -10.342 10.255 1.00 34.13 C ATOM 1978 C HIS A 122 13.084 -10.947 9.888 1.00 11.23 C ATOM 1979 O HIS A 122 14.142 -10.373 10.173 1.00 71.02 O ATOM 1980 CB HIS A 122 11.244 -10.857 11.638 1.00 2.03 C ATOM 1981 CG HIS A 122 12.190 -10.576 12.785 1.00 64.55 C ATOM 1982 ND1 HIS A 122 12.936 -11.557 13.406 1.00 15.10 N ATOM 1983 CD2 HIS A 122 12.483 -9.423 13.437 1.00 35.54 C ATOM 1984 CE1 HIS A 122 13.641 -11.019 14.380 1.00 23.34 C ATOM 1985 NE2 HIS A 122 13.382 -9.733 14.416 1.00 1.34 N ATOM 0 H HIS A 122 9.939 -11.260 9.599 1.00 31.13 H new ATOM 0 HA HIS A 122 11.826 -9.258 10.296 1.00 34.13 H new ATOM 0 HB2 HIS A 122 10.278 -10.407 11.866 1.00 2.03 H new ATOM 0 HB3 HIS A 122 11.087 -11.934 11.573 1.00 2.03 H new ATOM 0 HD2 HIS A 122 12.081 -8.444 13.222 1.00 35.54 H new ATOM 0 HE1 HIS A 122 14.317 -11.546 15.037 1.00 23.34 H new ATOM 0 HE2 HIS A 122 13.789 -9.068 15.074 1.00 1.34 H new ATOM 1994 N HIS A 123 13.022 -12.116 9.239 1.00 13.01 N ATOM 1995 CA HIS A 123 14.193 -12.853 8.755 1.00 64.20 C ATOM 1996 C HIS A 123 13.864 -13.477 7.379 1.00 31.44 C ATOM 1997 O HIS A 123 12.804 -13.201 6.807 1.00 11.13 O ATOM 1998 CB HIS A 123 14.618 -13.927 9.802 1.00 74.03 C ATOM 1999 CG HIS A 123 13.602 -15.022 10.049 1.00 35.41 C ATOM 2000 ND1 HIS A 123 13.736 -16.300 9.553 1.00 42.50 N ATOM 2001 CD2 HIS A 123 12.446 -15.024 10.763 1.00 12.22 C ATOM 2002 CE1 HIS A 123 12.717 -17.034 9.949 1.00 52.43 C ATOM 2003 NE2 HIS A 123 11.920 -16.282 10.682 1.00 34.42 N ATOM 0 H HIS A 123 12.140 -12.584 9.032 1.00 13.01 H new ATOM 0 HA HIS A 123 15.039 -12.178 8.627 1.00 64.20 H new ATOM 0 HB2 HIS A 123 15.550 -14.386 9.471 1.00 74.03 H new ATOM 0 HB3 HIS A 123 14.827 -13.427 10.748 1.00 74.03 H new ATOM 0 HD1 HIS A 123 14.506 -16.627 8.969 1.00 42.50 H new ATOM 0 HD2 HIS A 123 12.022 -14.186 11.296 1.00 12.22 H new ATOM 0 HE1 HIS A 123 12.561 -18.076 9.713 1.00 52.43 H new ATOM 2012 N HIS A 124 14.794 -14.278 6.836 1.00 73.10 N ATOM 2013 CA HIS A 124 14.607 -15.010 5.558 1.00 73.20 C ATOM 2014 C HIS A 124 14.037 -16.422 5.839 1.00 10.01 C ATOM 2015 O HIS A 124 14.316 -17.005 6.890 1.00 62.23 O ATOM 2016 CB HIS A 124 15.956 -15.111 4.782 1.00 52.31 C ATOM 2017 CG HIS A 124 16.573 -13.793 4.383 1.00 41.25 C ATOM 2018 ND1 HIS A 124 17.685 -13.708 3.580 1.00 41.12 N ATOM 2019 CD2 HIS A 124 16.246 -12.512 4.690 1.00 34.15 C ATOM 2020 CE1 HIS A 124 18.013 -12.446 3.413 1.00 20.11 C ATOM 2021 NE2 HIS A 124 17.156 -11.699 4.076 1.00 75.30 N ATOM 0 H HIS A 124 15.704 -14.442 7.267 1.00 73.10 H new ATOM 0 HA HIS A 124 13.899 -14.460 4.938 1.00 73.20 H new ATOM 0 HB2 HIS A 124 16.671 -15.656 5.399 1.00 52.31 H new ATOM 0 HB3 HIS A 124 15.795 -15.705 3.882 1.00 52.31 H new ATOM 0 HD2 HIS A 124 15.418 -12.194 5.307 1.00 34.15 H new ATOM 0 HE1 HIS A 124 18.846 -12.083 2.829 1.00 20.11 H new ATOM 0 HE2 HIS A 124 17.169 -10.680 4.124 1.00 75.30 H new ATOM 2030 N HIS A 125 13.229 -16.952 4.899 1.00 45.40 N ATOM 2031 CA HIS A 125 12.620 -18.296 5.016 1.00 61.34 C ATOM 2032 C HIS A 125 13.643 -19.384 4.588 1.00 30.14 C ATOM 2033 O HIS A 125 13.766 -19.663 3.373 1.00 24.30 O ATOM 2034 CB HIS A 125 11.314 -18.371 4.169 1.00 24.13 C ATOM 2035 CG HIS A 125 10.222 -17.421 4.604 1.00 12.03 C ATOM 2036 ND1 HIS A 125 9.558 -16.588 3.732 1.00 15.33 N ATOM 2037 CD2 HIS A 125 9.658 -17.200 5.820 1.00 73.42 C ATOM 2038 CE1 HIS A 125 8.641 -15.908 4.384 1.00 62.32 C ATOM 2039 NE2 HIS A 125 8.676 -16.257 5.652 1.00 71.24 N ATOM 2040 OXT HIS A 125 14.350 -19.940 5.460 1.00 36.58 O ATOM 0 H HIS A 125 12.980 -16.464 4.039 1.00 45.40 H new ATOM 0 HA HIS A 125 12.351 -18.481 6.056 1.00 61.34 H new ATOM 0 HB2 HIS A 125 11.561 -18.166 3.127 1.00 24.13 H new ATOM 0 HB3 HIS A 125 10.928 -19.390 4.211 1.00 24.13 H new ATOM 0 HD2 HIS A 125 9.932 -17.679 6.748 1.00 73.42 H new ATOM 0 HE1 HIS A 125 7.969 -15.182 3.950 1.00 62.32 H new ATOM 0 HE2 HIS A 125 8.073 -15.888 6.388 1.00 71.24 H new TER 2049 HIS A 125