USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 926 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: B 86 ASN : amide:sc= -1.14 K(o=-2.3,f=-0.28) USER MOD Set 1.2: B 92 LYS NZ :NH3+ -154:sc= -1.12 (180deg=-0.244) USER MOD Set 2.1: A 102 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: B 69 MET CE :methyl -121:sc= -7.49! (180deg=-8.98!) USER MOD Set 3.1: A 100 THR OG1 : rot -94:sc= 0.611 USER MOD Set 3.2: B 100 THR OG1 : rot 136:sc= -2.36! USER MOD Set 4.1: A 86 ASN : amide:sc= -0.107 K(o=-0.21,f=-1.8) USER MOD Set 4.2: A 92 LYS NZ :NH3+ -156:sc= -0.0993 (180deg=-0.221) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 160:sc= -7.44! (180deg=-8.4!) USER MOD Single : A 72 GLN : amide:sc= -2.62! K(o=-2.6!,f=-0.1) USER MOD Single : A 82 MET CE :methyl -144:sc= -0.257 (180deg=-0.868) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 149:sc= -0.27 (180deg=-1.13) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 72 GLN : amide:sc= -3.08! K(o=-3.1!,f=-0.45) USER MOD Single : B 82 MET CE :methyl -141:sc= -0.245 (180deg=-0.859) USER MOD Single : B 83 SER OG : rot 180:sc= 0 USER MOD Single : B 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 89 THR OG1 : rot 145:sc=0.000982 USER MOD Single : B 96 TYR OH : rot 180:sc= 0 USER MOD Single : B 98 LYS NZ :NH3+ 165:sc= -0.0634 (180deg=-0.293) USER MOD Single : B 102 THR OG1 : rot 87:sc= 0.102 USER MOD Single : B 106 SER OG : rot 180:sc= 0 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 61 9.440 -8.488 13.231 1.00 0.00 N ATOM 2 CA ALA A 61 8.784 -9.388 12.248 1.00 0.00 C ATOM 3 C ALA A 61 9.488 -9.343 10.904 1.00 0.00 C ATOM 4 O ALA A 61 9.873 -8.274 10.429 1.00 0.00 O ATOM 5 CB ALA A 61 7.327 -9.002 12.057 1.00 0.00 C ATOM 0 HA ALA A 61 8.845 -10.401 12.646 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.865 -9.673 11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.803 -9.078 13.009 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.267 -7.977 11.691 1.00 0.00 H new ATOM 13 N SER A 62 9.630 -10.504 10.279 1.00 0.00 N ATOM 14 CA SER A 62 10.259 -10.583 8.975 1.00 0.00 C ATOM 15 C SER A 62 9.464 -9.759 7.982 1.00 0.00 C ATOM 16 O SER A 62 8.240 -9.673 8.066 1.00 0.00 O ATOM 17 CB SER A 62 10.337 -12.024 8.498 1.00 0.00 C ATOM 18 OG SER A 62 10.922 -12.861 9.480 1.00 0.00 O ATOM 0 H SER A 62 9.318 -11.399 10.655 1.00 0.00 H new ATOM 0 HA SER A 62 11.273 -10.192 9.053 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.337 -12.385 8.259 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.922 -12.074 7.579 1.00 0.00 H new ATOM 0 HG SER A 62 10.957 -13.782 9.146 1.00 0.00 H new ATOM 24 N ASP A 63 10.170 -9.154 7.053 1.00 0.00 N ATOM 25 CA ASP A 63 9.546 -8.323 6.041 1.00 0.00 C ATOM 26 C ASP A 63 8.754 -9.163 5.046 1.00 0.00 C ATOM 27 O ASP A 63 7.714 -8.730 4.551 1.00 0.00 O ATOM 28 CB ASP A 63 10.609 -7.495 5.325 1.00 0.00 C ATOM 29 CG ASP A 63 11.330 -6.546 6.261 1.00 0.00 C ATOM 30 OD1 ASP A 63 10.659 -5.681 6.862 1.00 0.00 O ATOM 31 OD2 ASP A 63 12.566 -6.667 6.393 1.00 0.00 O ATOM 0 H ASP A 63 11.185 -9.221 6.975 1.00 0.00 H new ATOM 0 HA ASP A 63 8.843 -7.650 6.532 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.334 -8.163 4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.142 -6.924 4.523 1.00 0.00 H new ATOM 36 N ASP A 64 9.246 -10.363 4.758 1.00 0.00 N ATOM 37 CA ASP A 64 8.588 -11.255 3.829 1.00 0.00 C ATOM 38 C ASP A 64 7.171 -11.552 4.268 1.00 0.00 C ATOM 39 O ASP A 64 6.280 -11.696 3.437 1.00 0.00 O ATOM 40 CB ASP A 64 9.380 -12.551 3.706 1.00 0.00 C ATOM 41 CG ASP A 64 10.857 -12.315 3.455 1.00 0.00 C ATOM 42 OD1 ASP A 64 11.517 -11.700 4.319 1.00 0.00 O ATOM 43 OD2 ASP A 64 11.355 -12.750 2.395 1.00 0.00 O ATOM 0 H ASP A 64 10.105 -10.736 5.162 1.00 0.00 H new ATOM 0 HA ASP A 64 8.545 -10.764 2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.260 -13.133 4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.968 -13.147 2.892 1.00 0.00 H new ATOM 48 N GLU A 65 6.960 -11.648 5.571 1.00 0.00 N ATOM 49 CA GLU A 65 5.640 -11.927 6.087 1.00 0.00 C ATOM 50 C GLU A 65 4.652 -10.880 5.583 1.00 0.00 C ATOM 51 O GLU A 65 3.500 -11.187 5.276 1.00 0.00 O ATOM 52 CB GLU A 65 5.652 -11.963 7.617 1.00 0.00 C ATOM 53 CG GLU A 65 4.291 -12.254 8.230 1.00 0.00 C ATOM 54 CD GLU A 65 4.326 -12.269 9.745 1.00 0.00 C ATOM 55 OE1 GLU A 65 5.070 -13.097 10.314 1.00 0.00 O ATOM 56 OE2 GLU A 65 3.610 -11.454 10.364 1.00 0.00 O ATOM 0 H GLU A 65 7.683 -11.537 6.282 1.00 0.00 H new ATOM 0 HA GLU A 65 5.326 -12.908 5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.360 -12.722 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.013 -11.005 7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.577 -11.502 7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.932 -13.218 7.869 1.00 0.00 H new ATOM 63 N LEU A 66 5.131 -9.646 5.487 1.00 0.00 N ATOM 64 CA LEU A 66 4.324 -8.533 5.005 1.00 0.00 C ATOM 65 C LEU A 66 4.240 -8.562 3.489 1.00 0.00 C ATOM 66 O LEU A 66 3.189 -8.334 2.901 1.00 0.00 O ATOM 67 CB LEU A 66 4.935 -7.201 5.444 1.00 0.00 C ATOM 68 CG LEU A 66 4.961 -6.942 6.957 1.00 0.00 C ATOM 69 CD1 LEU A 66 3.563 -7.064 7.547 1.00 0.00 C ATOM 70 CD2 LEU A 66 5.924 -7.888 7.657 1.00 0.00 C ATOM 0 H LEU A 66 6.085 -9.390 5.740 1.00 0.00 H new ATOM 0 HA LEU A 66 3.324 -8.631 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.957 -7.151 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.380 -6.394 4.966 1.00 0.00 H new ATOM 0 HG LEU A 66 5.314 -5.923 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.603 -6.877 8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.904 -6.334 7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.179 -8.068 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.922 -7.682 8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.612 -8.918 7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.929 -7.743 7.261 1.00 0.00 H new ATOM 82 N PHE A 67 5.369 -8.828 2.862 1.00 0.00 N ATOM 83 CA PHE A 67 5.447 -8.881 1.417 1.00 0.00 C ATOM 84 C PHE A 67 4.718 -10.098 0.872 1.00 0.00 C ATOM 85 O PHE A 67 4.372 -10.153 -0.308 1.00 0.00 O ATOM 86 CB PHE A 67 6.908 -8.892 0.994 1.00 0.00 C ATOM 87 CG PHE A 67 7.653 -7.680 1.450 1.00 0.00 C ATOM 88 CD1 PHE A 67 7.048 -6.435 1.451 1.00 0.00 C ATOM 89 CD2 PHE A 67 8.962 -7.788 1.873 1.00 0.00 C ATOM 90 CE1 PHE A 67 7.745 -5.322 1.873 1.00 0.00 C ATOM 91 CE2 PHE A 67 9.664 -6.681 2.290 1.00 0.00 C ATOM 92 CZ PHE A 67 9.057 -5.446 2.294 1.00 0.00 C ATOM 0 H PHE A 67 6.253 -9.012 3.337 1.00 0.00 H new ATOM 0 HA PHE A 67 4.959 -7.998 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.391 -9.782 1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.966 -8.961 -0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.025 -6.335 1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.442 -8.755 1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.267 -4.354 1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.690 -6.781 2.614 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.604 -4.575 2.625 1.00 0.00 H new ATOM 102 N SER A 68 4.492 -11.073 1.739 1.00 0.00 N ATOM 103 CA SER A 68 3.809 -12.297 1.347 1.00 0.00 C ATOM 104 C SER A 68 2.353 -12.017 0.999 1.00 0.00 C ATOM 105 O SER A 68 1.885 -12.377 -0.079 1.00 0.00 O ATOM 106 CB SER A 68 3.893 -13.322 2.469 1.00 0.00 C ATOM 107 OG SER A 68 3.214 -14.518 2.126 1.00 0.00 O ATOM 0 H SER A 68 4.772 -11.041 2.719 1.00 0.00 H new ATOM 0 HA SER A 68 4.301 -12.697 0.460 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.938 -13.544 2.684 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.462 -12.905 3.379 1.00 0.00 H new ATOM 0 HG SER A 68 3.286 -15.158 2.864 1.00 0.00 H new ATOM 113 N MET A 69 1.643 -11.355 1.904 1.00 0.00 N ATOM 114 CA MET A 69 0.257 -11.013 1.661 1.00 0.00 C ATOM 115 C MET A 69 0.157 -10.231 0.359 1.00 0.00 C ATOM 116 O MET A 69 -0.792 -10.391 -0.409 1.00 0.00 O ATOM 117 CB MET A 69 -0.309 -10.192 2.818 1.00 0.00 C ATOM 118 CG MET A 69 0.686 -9.200 3.373 1.00 0.00 C ATOM 119 SD MET A 69 -0.064 -7.920 4.380 1.00 0.00 S ATOM 120 CE MET A 69 1.319 -6.792 4.473 1.00 0.00 C ATOM 0 H MET A 69 2.006 -11.048 2.806 1.00 0.00 H new ATOM 0 HA MET A 69 -0.328 -11.929 1.582 1.00 0.00 H new ATOM 0 HB2 MET A 69 -1.197 -9.658 2.479 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.627 -10.865 3.614 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.425 -9.734 3.970 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.221 -8.733 2.546 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.961 -5.798 4.742 1.00 0.00 H new ATOM 0 HE2 MET A 69 2.023 -7.141 5.228 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.818 -6.747 3.505 1.00 0.00 H new ATOM 130 N LEU A 70 1.170 -9.402 0.109 1.00 0.00 N ATOM 131 CA LEU A 70 1.238 -8.609 -1.105 1.00 0.00 C ATOM 132 C LEU A 70 1.455 -9.527 -2.287 1.00 0.00 C ATOM 133 O LEU A 70 0.967 -9.285 -3.381 1.00 0.00 O ATOM 134 CB LEU A 70 2.377 -7.604 -0.982 1.00 0.00 C ATOM 135 CG LEU A 70 2.312 -6.772 0.278 1.00 0.00 C ATOM 136 CD1 LEU A 70 3.572 -5.951 0.438 1.00 0.00 C ATOM 137 CD2 LEU A 70 1.083 -5.896 0.232 1.00 0.00 C ATOM 0 H LEU A 70 1.959 -9.266 0.741 1.00 0.00 H new ATOM 0 HA LEU A 70 0.306 -8.064 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.327 -8.138 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.361 -6.941 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 70 2.241 -7.427 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.507 -5.359 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.434 -6.615 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.685 -5.286 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.031 -5.294 1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.136 -5.240 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.193 -6.521 0.161 1.00 0.00 H new ATOM 149 N ASP A 71 2.189 -10.595 -2.038 1.00 0.00 N ATOM 150 CA ASP A 71 2.483 -11.588 -3.055 1.00 0.00 C ATOM 151 C ASP A 71 1.198 -12.205 -3.589 1.00 0.00 C ATOM 152 O ASP A 71 1.070 -12.467 -4.784 1.00 0.00 O ATOM 153 CB ASP A 71 3.373 -12.678 -2.453 1.00 0.00 C ATOM 154 CG ASP A 71 3.820 -13.709 -3.472 1.00 0.00 C ATOM 155 OD1 ASP A 71 3.432 -13.591 -4.653 1.00 0.00 O ATOM 156 OD2 ASP A 71 4.561 -14.638 -3.088 1.00 0.00 O ATOM 0 H ASP A 71 2.598 -10.799 -1.126 1.00 0.00 H new ATOM 0 HA ASP A 71 3.001 -11.105 -3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.252 -12.215 -2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.832 -13.179 -1.651 1.00 0.00 H new ATOM 161 N GLN A 72 0.255 -12.448 -2.690 1.00 0.00 N ATOM 162 CA GLN A 72 -1.012 -13.052 -3.065 1.00 0.00 C ATOM 163 C GLN A 72 -1.982 -12.043 -3.664 1.00 0.00 C ATOM 164 O GLN A 72 -2.771 -12.369 -4.549 1.00 0.00 O ATOM 165 CB GLN A 72 -1.644 -13.747 -1.863 1.00 0.00 C ATOM 166 CG GLN A 72 -0.900 -15.003 -1.450 1.00 0.00 C ATOM 167 CD GLN A 72 -1.160 -16.185 -2.369 1.00 0.00 C ATOM 168 OE1 GLN A 72 -0.607 -17.267 -2.172 1.00 0.00 O ATOM 169 NE2 GLN A 72 -2.003 -15.989 -3.378 1.00 0.00 N ATOM 0 H GLN A 72 0.345 -12.236 -1.696 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.799 -13.790 -3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.672 -13.054 -1.022 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.677 -14.003 -2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.170 -14.794 -1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.190 -15.271 -0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.441 -15.077 -3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.212 -16.751 -4.023 1.00 0.00 H new ATOM 178 N ARG A 73 -1.922 -10.825 -3.166 1.00 0.00 N ATOM 179 CA ARG A 73 -2.796 -9.758 -3.634 1.00 0.00 C ATOM 180 C ARG A 73 -2.324 -9.204 -4.970 1.00 0.00 C ATOM 181 O ARG A 73 -3.122 -8.907 -5.859 1.00 0.00 O ATOM 182 CB ARG A 73 -2.820 -8.647 -2.599 1.00 0.00 C ATOM 183 CG ARG A 73 -3.475 -9.056 -1.290 1.00 0.00 C ATOM 184 CD ARG A 73 -3.512 -7.910 -0.294 1.00 0.00 C ATOM 185 NE ARG A 73 -4.185 -8.285 0.948 1.00 0.00 N ATOM 186 CZ ARG A 73 -5.463 -8.656 1.017 1.00 0.00 C ATOM 187 NH1 ARG A 73 -6.212 -8.683 -0.078 1.00 0.00 N ATOM 188 NH2 ARG A 73 -5.992 -8.998 2.184 1.00 0.00 N ATOM 0 H ARG A 73 -1.273 -10.544 -2.431 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.798 -10.165 -3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.798 -8.324 -2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.352 -7.789 -3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.490 -9.401 -1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.930 -9.895 -0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.494 -7.590 -0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.024 -7.058 -0.741 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.645 -8.261 1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.810 -8.419 -0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.190 -8.968 -0.020 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.421 -8.977 3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.970 -9.282 2.237 1.00 0.00 H new ATOM 202 N PHE A 74 -1.016 -9.064 -5.086 1.00 0.00 N ATOM 203 CA PHE A 74 -0.387 -8.540 -6.288 1.00 0.00 C ATOM 204 C PHE A 74 -0.479 -9.534 -7.435 1.00 0.00 C ATOM 205 O PHE A 74 -0.339 -9.165 -8.601 1.00 0.00 O ATOM 206 CB PHE A 74 1.083 -8.229 -5.999 1.00 0.00 C ATOM 207 CG PHE A 74 1.316 -7.014 -5.141 1.00 0.00 C ATOM 208 CD1 PHE A 74 0.269 -6.368 -4.485 1.00 0.00 C ATOM 209 CD2 PHE A 74 2.600 -6.522 -4.982 1.00 0.00 C ATOM 210 CE1 PHE A 74 0.511 -5.260 -3.699 1.00 0.00 C ATOM 211 CE2 PHE A 74 2.842 -5.416 -4.195 1.00 0.00 C ATOM 212 CZ PHE A 74 1.797 -4.786 -3.557 1.00 0.00 C ATOM 0 H PHE A 74 -0.357 -9.311 -4.348 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.912 -7.631 -6.581 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.533 -9.093 -5.510 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.604 -8.092 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.740 -6.738 -4.593 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.423 -7.011 -5.481 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.306 -4.765 -3.196 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.849 -5.044 -4.079 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.986 -3.918 -2.943 1.00 0.00 H new ATOM 222 N GLY A 75 -0.706 -10.797 -7.100 1.00 0.00 N ATOM 223 CA GLY A 75 -0.799 -11.818 -8.130 1.00 0.00 C ATOM 224 C GLY A 75 -0.916 -13.225 -7.580 1.00 0.00 C ATOM 225 O GLY A 75 -0.073 -14.077 -7.861 1.00 0.00 O ATOM 0 H GLY A 75 -0.827 -11.133 -6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.664 -11.610 -8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.082 -11.759 -8.769 1.00 0.00 H new ATOM 229 N GLY A 76 -1.963 -13.473 -6.801 1.00 0.00 N ATOM 230 CA GLY A 76 -2.165 -14.793 -6.233 1.00 0.00 C ATOM 231 C GLY A 76 -2.262 -15.870 -7.297 1.00 0.00 C ATOM 232 O GLY A 76 -2.878 -15.663 -8.342 1.00 0.00 O ATOM 0 H GLY A 76 -2.674 -12.785 -6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.341 -15.025 -5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.076 -14.793 -5.635 1.00 0.00 H new ATOM 236 N GLY A 77 -1.650 -17.020 -7.032 1.00 0.00 N ATOM 237 CA GLY A 77 -1.680 -18.112 -7.987 1.00 0.00 C ATOM 238 C GLY A 77 -0.757 -17.880 -9.167 1.00 0.00 C ATOM 239 O GLY A 77 -0.652 -16.762 -9.672 1.00 0.00 O ATOM 0 H GLY A 77 -1.134 -17.215 -6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.396 -19.037 -7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.700 -18.246 -8.349 1.00 0.00 H new ATOM 243 N GLU A 78 -0.085 -18.942 -9.605 1.00 0.00 N ATOM 244 CA GLU A 78 0.834 -18.866 -10.724 1.00 0.00 C ATOM 245 C GLU A 78 1.291 -20.252 -11.164 1.00 0.00 C ATOM 246 O GLU A 78 0.567 -21.235 -11.008 1.00 0.00 O ATOM 247 CB GLU A 78 2.030 -17.995 -10.362 1.00 0.00 C ATOM 248 CG GLU A 78 2.570 -18.253 -8.971 1.00 0.00 C ATOM 249 CD GLU A 78 3.049 -19.676 -8.767 1.00 0.00 C ATOM 250 OE1 GLU A 78 3.958 -20.109 -9.503 1.00 0.00 O ATOM 251 OE2 GLU A 78 2.515 -20.357 -7.865 1.00 0.00 O ATOM 0 H GLU A 78 -0.165 -19.872 -9.193 1.00 0.00 H new ATOM 0 HA GLU A 78 0.308 -18.412 -11.564 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.825 -18.164 -11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.743 -16.947 -10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.395 -17.568 -8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.792 -18.031 -8.240 1.00 0.00 H new ATOM 258 N ASP A 79 2.490 -20.316 -11.725 1.00 0.00 N ATOM 259 CA ASP A 79 3.051 -21.561 -12.205 1.00 0.00 C ATOM 260 C ASP A 79 4.560 -21.514 -12.150 1.00 0.00 C ATOM 261 O ASP A 79 5.220 -22.415 -11.632 1.00 0.00 O ATOM 262 CB ASP A 79 2.615 -21.795 -13.642 1.00 0.00 C ATOM 263 CG ASP A 79 1.137 -22.113 -13.763 1.00 0.00 C ATOM 264 OD1 ASP A 79 0.689 -23.095 -13.136 1.00 0.00 O ATOM 265 OD2 ASP A 79 0.430 -21.383 -14.487 1.00 0.00 O ATOM 0 H ASP A 79 3.096 -19.506 -11.858 1.00 0.00 H new ATOM 0 HA ASP A 79 2.694 -22.372 -11.570 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.841 -20.908 -14.234 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.194 -22.616 -14.064 1.00 0.00 H new ATOM 270 N LEU A 80 5.084 -20.442 -12.696 1.00 0.00 N ATOM 271 CA LEU A 80 6.521 -20.216 -12.742 1.00 0.00 C ATOM 272 C LEU A 80 7.097 -20.074 -11.338 1.00 0.00 C ATOM 273 O LEU A 80 6.500 -19.437 -10.470 1.00 0.00 O ATOM 274 CB LEU A 80 6.838 -18.968 -13.562 1.00 0.00 C ATOM 275 CG LEU A 80 6.496 -19.059 -15.050 1.00 0.00 C ATOM 276 CD1 LEU A 80 6.766 -17.730 -15.740 1.00 0.00 C ATOM 277 CD2 LEU A 80 7.286 -20.177 -15.716 1.00 0.00 C ATOM 0 H LEU A 80 4.532 -19.698 -13.123 1.00 0.00 H new ATOM 0 HA LEU A 80 6.981 -21.082 -13.218 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.297 -18.124 -13.133 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.901 -18.749 -13.463 1.00 0.00 H new ATOM 0 HG LEU A 80 5.435 -19.288 -15.145 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.517 -17.812 -16.798 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.155 -16.952 -15.283 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.820 -17.472 -15.634 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.028 -20.225 -16.774 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.353 -19.981 -15.611 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.043 -21.127 -15.240 1.00 0.00 H new ATOM 289 N LEU A 81 8.260 -20.679 -11.123 1.00 0.00 N ATOM 290 CA LEU A 81 8.924 -20.634 -9.832 1.00 0.00 C ATOM 291 C LEU A 81 9.244 -19.199 -9.428 1.00 0.00 C ATOM 292 O LEU A 81 9.808 -18.434 -10.212 1.00 0.00 O ATOM 293 CB LEU A 81 10.210 -21.455 -9.891 1.00 0.00 C ATOM 294 CG LEU A 81 10.835 -21.769 -8.537 1.00 0.00 C ATOM 295 CD1 LEU A 81 9.850 -22.547 -7.684 1.00 0.00 C ATOM 296 CD2 LEU A 81 12.125 -22.550 -8.722 1.00 0.00 C ATOM 0 H LEU A 81 8.763 -21.209 -11.834 1.00 0.00 H new ATOM 0 HA LEU A 81 8.252 -21.055 -9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.001 -22.393 -10.405 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.940 -20.916 -10.495 1.00 0.00 H new ATOM 0 HG LEU A 81 11.074 -20.836 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.302 -22.769 -6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.949 -21.952 -7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.591 -23.479 -8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.561 -22.768 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.913 -23.484 -9.242 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.827 -21.959 -9.310 1.00 0.00 H new ATOM 308 N MET A 82 8.884 -18.842 -8.199 1.00 0.00 N ATOM 309 CA MET A 82 9.139 -17.500 -7.689 1.00 0.00 C ATOM 310 C MET A 82 10.638 -17.241 -7.582 1.00 0.00 C ATOM 311 O MET A 82 11.114 -16.150 -7.899 1.00 0.00 O ATOM 312 CB MET A 82 8.470 -17.300 -6.323 1.00 0.00 C ATOM 313 CG MET A 82 9.047 -18.166 -5.212 1.00 0.00 C ATOM 314 SD MET A 82 8.755 -19.928 -5.460 1.00 0.00 S ATOM 315 CE MET A 82 6.964 -19.977 -5.476 1.00 0.00 C ATOM 0 H MET A 82 8.415 -19.463 -7.539 1.00 0.00 H new ATOM 0 HA MET A 82 8.711 -16.786 -8.392 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.562 -16.252 -6.036 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.405 -17.513 -6.418 1.00 0.00 H new ATOM 0 HG2 MET A 82 10.120 -17.989 -5.142 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.611 -17.863 -4.260 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.621 -20.893 -4.996 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.572 -19.116 -4.936 1.00 0.00 H new ATOM 0 HE3 MET A 82 6.609 -19.952 -6.506 1.00 0.00 H new ATOM 325 N SER A 83 11.375 -18.253 -7.131 1.00 0.00 N ATOM 326 CA SER A 83 12.822 -18.146 -6.978 1.00 0.00 C ATOM 327 C SER A 83 13.185 -16.981 -6.064 1.00 0.00 C ATOM 328 O SER A 83 12.403 -16.591 -5.198 1.00 0.00 O ATOM 329 CB SER A 83 13.488 -17.971 -8.344 1.00 0.00 C ATOM 330 OG SER A 83 13.211 -19.074 -9.191 1.00 0.00 O ATOM 0 H SER A 83 10.991 -19.160 -6.864 1.00 0.00 H new ATOM 0 HA SER A 83 13.186 -19.067 -6.522 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.133 -17.052 -8.810 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.566 -17.868 -8.216 1.00 0.00 H new ATOM 0 HG SER A 83 13.646 -18.938 -10.058 1.00 0.00 H new ATOM 336 N GLY A 84 14.377 -16.431 -6.263 1.00 0.00 N ATOM 337 CA GLY A 84 14.824 -15.316 -5.450 1.00 0.00 C ATOM 338 C GLY A 84 16.269 -14.944 -5.713 1.00 0.00 C ATOM 339 O GLY A 84 17.137 -15.814 -5.789 1.00 0.00 O ATOM 0 H GLY A 84 15.042 -16.737 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.189 -14.452 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.704 -15.568 -4.396 1.00 0.00 H new ATOM 343 N ASP A 85 16.528 -13.647 -5.851 1.00 0.00 N ATOM 344 CA ASP A 85 17.876 -13.156 -6.105 1.00 0.00 C ATOM 345 C ASP A 85 17.923 -11.638 -5.973 1.00 0.00 C ATOM 346 O ASP A 85 18.436 -10.936 -6.845 1.00 0.00 O ATOM 347 CB ASP A 85 18.341 -13.587 -7.498 1.00 0.00 C ATOM 348 CG ASP A 85 19.792 -13.234 -7.771 1.00 0.00 C ATOM 349 OD1 ASP A 85 20.440 -12.644 -6.882 1.00 0.00 O ATOM 350 OD2 ASP A 85 20.280 -13.548 -8.876 1.00 0.00 O ATOM 0 H ASP A 85 15.819 -12.916 -5.791 1.00 0.00 H new ATOM 0 HA ASP A 85 18.550 -13.586 -5.364 1.00 0.00 H new ATOM 0 HB2 ASP A 85 18.208 -14.664 -7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.709 -13.113 -8.249 1.00 0.00 H new ATOM 355 N ASN A 86 17.382 -11.146 -4.868 1.00 0.00 N ATOM 356 CA ASN A 86 17.353 -9.713 -4.596 1.00 0.00 C ATOM 357 C ASN A 86 18.719 -9.221 -4.131 1.00 0.00 C ATOM 358 O ASN A 86 19.368 -9.860 -3.301 1.00 0.00 O ATOM 359 CB ASN A 86 16.297 -9.395 -3.537 1.00 0.00 C ATOM 360 CG ASN A 86 14.903 -9.813 -3.963 1.00 0.00 C ATOM 361 OD1 ASN A 86 14.385 -9.344 -4.976 1.00 0.00 O ATOM 362 ND2 ASN A 86 14.290 -10.701 -3.189 1.00 0.00 N ATOM 0 H ASN A 86 16.955 -11.720 -4.141 1.00 0.00 H new ATOM 0 HA ASN A 86 17.096 -9.198 -5.522 1.00 0.00 H new ATOM 0 HB2 ASN A 86 16.556 -9.901 -2.607 1.00 0.00 H new ATOM 0 HB3 ASN A 86 16.305 -8.325 -3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.351 -11.021 -3.425 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.758 -11.063 -2.358 1.00 0.00 H new ATOM 369 N GLY A 87 19.151 -8.082 -4.664 1.00 0.00 N ATOM 370 CA GLY A 87 20.436 -7.527 -4.283 1.00 0.00 C ATOM 371 C GLY A 87 20.506 -7.206 -2.806 1.00 0.00 C ATOM 372 O GLY A 87 21.450 -7.603 -2.122 1.00 0.00 O ATOM 0 H GLY A 87 18.634 -7.534 -5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 87 21.225 -8.235 -4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.623 -6.621 -4.859 1.00 0.00 H new ATOM 376 N MET A 88 19.503 -6.484 -2.315 1.00 0.00 N ATOM 377 CA MET A 88 19.444 -6.098 -0.912 1.00 0.00 C ATOM 378 C MET A 88 18.002 -5.878 -0.470 1.00 0.00 C ATOM 379 O MET A 88 17.073 -6.460 -1.031 1.00 0.00 O ATOM 380 CB MET A 88 20.249 -4.814 -0.690 1.00 0.00 C ATOM 381 CG MET A 88 21.724 -4.948 -1.035 1.00 0.00 C ATOM 382 SD MET A 88 22.617 -6.000 0.125 1.00 0.00 S ATOM 383 CE MET A 88 24.267 -5.951 -0.571 1.00 0.00 C ATOM 0 H MET A 88 18.716 -6.153 -2.874 1.00 0.00 H new ATOM 0 HA MET A 88 19.872 -6.905 -0.317 1.00 0.00 H new ATOM 0 HB2 MET A 88 19.815 -4.016 -1.292 1.00 0.00 H new ATOM 0 HB3 MET A 88 20.155 -4.513 0.353 1.00 0.00 H new ATOM 0 HG2 MET A 88 21.822 -5.358 -2.040 1.00 0.00 H new ATOM 0 HG3 MET A 88 22.181 -3.959 -1.048 1.00 0.00 H new ATOM 0 HE1 MET A 88 24.937 -6.557 0.038 1.00 0.00 H new ATOM 0 HE2 MET A 88 24.245 -6.344 -1.587 1.00 0.00 H new ATOM 0 HE3 MET A 88 24.624 -4.921 -0.588 1.00 0.00 H new ATOM 393 N THR A 89 17.827 -5.029 0.535 1.00 0.00 N ATOM 394 CA THR A 89 16.504 -4.719 1.057 1.00 0.00 C ATOM 395 C THR A 89 15.711 -3.869 0.066 1.00 0.00 C ATOM 396 O THR A 89 14.539 -4.134 -0.200 1.00 0.00 O ATOM 397 CB THR A 89 16.599 -3.974 2.399 1.00 0.00 C ATOM 398 OG1 THR A 89 17.315 -4.769 3.352 1.00 0.00 O ATOM 399 CG2 THR A 89 15.216 -3.657 2.936 1.00 0.00 C ATOM 0 H THR A 89 18.589 -4.541 1.006 1.00 0.00 H new ATOM 0 HA THR A 89 15.987 -5.666 1.211 1.00 0.00 H new ATOM 0 HB THR A 89 17.133 -3.038 2.234 1.00 0.00 H new ATOM 0 HG1 THR A 89 17.372 -4.287 4.203 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.306 -3.130 3.886 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.684 -3.029 2.222 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.663 -4.584 3.087 1.00 0.00 H new ATOM 407 N GLU A 90 16.371 -2.850 -0.477 1.00 0.00 N ATOM 408 CA GLU A 90 15.761 -1.947 -1.449 1.00 0.00 C ATOM 409 C GLU A 90 15.029 -2.716 -2.539 1.00 0.00 C ATOM 410 O GLU A 90 13.848 -2.493 -2.775 1.00 0.00 O ATOM 411 CB GLU A 90 16.847 -1.093 -2.095 1.00 0.00 C ATOM 412 CG GLU A 90 17.409 -0.013 -1.185 1.00 0.00 C ATOM 413 CD GLU A 90 18.545 0.758 -1.827 1.00 0.00 C ATOM 414 OE1 GLU A 90 18.326 1.354 -2.901 1.00 0.00 O ATOM 415 OE2 GLU A 90 19.655 0.765 -1.254 1.00 0.00 O ATOM 0 H GLU A 90 17.342 -2.627 -0.256 1.00 0.00 H new ATOM 0 HA GLU A 90 15.041 -1.321 -0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 90 17.661 -1.742 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.440 -0.623 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.612 0.680 -0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.762 -0.470 -0.260 1.00 0.00 H new ATOM 422 N GLU A 91 15.757 -3.602 -3.210 1.00 0.00 N ATOM 423 CA GLU A 91 15.207 -4.405 -4.305 1.00 0.00 C ATOM 424 C GLU A 91 13.773 -4.841 -4.035 1.00 0.00 C ATOM 425 O GLU A 91 12.876 -4.588 -4.839 1.00 0.00 O ATOM 426 CB GLU A 91 16.092 -5.629 -4.554 1.00 0.00 C ATOM 427 CG GLU A 91 15.650 -6.483 -5.733 1.00 0.00 C ATOM 428 CD GLU A 91 15.704 -5.738 -7.053 1.00 0.00 C ATOM 429 OE1 GLU A 91 14.943 -4.763 -7.218 1.00 0.00 O ATOM 430 OE2 GLU A 91 16.513 -6.129 -7.921 1.00 0.00 O ATOM 0 H GLU A 91 16.741 -3.786 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 91 15.193 -3.777 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 91 17.116 -5.296 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.102 -6.246 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.285 -7.367 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.632 -6.833 -5.560 1.00 0.00 H new ATOM 437 N LYS A 92 13.564 -5.473 -2.899 1.00 0.00 N ATOM 438 CA LYS A 92 12.233 -5.923 -2.509 1.00 0.00 C ATOM 439 C LYS A 92 11.352 -4.701 -2.292 1.00 0.00 C ATOM 440 O LYS A 92 10.269 -4.576 -2.859 1.00 0.00 O ATOM 441 CB LYS A 92 12.325 -6.759 -1.224 1.00 0.00 C ATOM 442 CG LYS A 92 11.060 -7.503 -0.833 1.00 0.00 C ATOM 443 CD LYS A 92 11.376 -8.639 0.129 1.00 0.00 C ATOM 444 CE LYS A 92 12.293 -9.675 -0.506 1.00 0.00 C ATOM 445 NZ LYS A 92 11.687 -10.285 -1.721 1.00 0.00 N ATOM 0 H LYS A 92 14.297 -5.690 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 92 11.800 -6.546 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.130 -7.484 -1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 92 12.606 -6.100 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.356 -6.813 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.576 -7.900 -1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.847 -8.236 1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.449 -9.118 0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.241 -9.207 -0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.515 -10.457 0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.109 -11.221 -1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.661 -10.387 -1.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.867 -9.674 -2.543 1.00 0.00 H new ATOM 459 N LEU A 93 11.857 -3.788 -1.479 1.00 0.00 N ATOM 460 CA LEU A 93 11.167 -2.545 -1.165 1.00 0.00 C ATOM 461 C LEU A 93 10.859 -1.716 -2.413 1.00 0.00 C ATOM 462 O LEU A 93 10.016 -0.825 -2.374 1.00 0.00 O ATOM 463 CB LEU A 93 12.014 -1.735 -0.187 1.00 0.00 C ATOM 464 CG LEU A 93 11.807 -2.081 1.286 1.00 0.00 C ATOM 465 CD1 LEU A 93 11.830 -3.588 1.490 1.00 0.00 C ATOM 466 CD2 LEU A 93 12.855 -1.391 2.141 1.00 0.00 C ATOM 0 H LEU A 93 12.760 -3.887 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 93 10.208 -2.799 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.066 -1.880 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.795 -0.677 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 93 10.827 -1.720 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.681 -3.815 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.033 -4.047 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.792 -3.984 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.696 -1.646 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.848 -1.719 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.775 -0.311 2.014 1.00 0.00 H new ATOM 478 N ARG A 94 11.545 -2.002 -3.516 1.00 0.00 N ATOM 479 CA ARG A 94 11.325 -1.261 -4.754 1.00 0.00 C ATOM 480 C ARG A 94 9.974 -1.606 -5.378 1.00 0.00 C ATOM 481 O ARG A 94 9.242 -0.722 -5.820 1.00 0.00 O ATOM 482 CB ARG A 94 12.448 -1.538 -5.757 1.00 0.00 C ATOM 483 CG ARG A 94 13.793 -0.955 -5.349 1.00 0.00 C ATOM 484 CD ARG A 94 14.864 -1.242 -6.390 1.00 0.00 C ATOM 485 NE ARG A 94 16.159 -0.671 -6.025 1.00 0.00 N ATOM 486 CZ ARG A 94 16.386 0.635 -5.903 1.00 0.00 C ATOM 487 NH1 ARG A 94 15.413 1.508 -6.128 1.00 0.00 N ATOM 488 NH2 ARG A 94 17.591 1.069 -5.558 1.00 0.00 N ATOM 0 H ARG A 94 12.252 -2.735 -3.578 1.00 0.00 H new ATOM 0 HA ARG A 94 11.325 -0.200 -4.504 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.553 -2.616 -5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.165 -1.130 -6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.697 0.122 -5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 94 14.096 -1.373 -4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.967 -2.320 -6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 94 14.550 -0.838 -7.352 1.00 0.00 H new ATOM 0 HE ARG A 94 16.935 -1.311 -5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.485 1.180 -6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.593 2.508 -6.033 1.00 0.00 H new ATOM 0 HH21 ARG A 94 18.343 0.402 -5.386 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.765 2.070 -5.464 1.00 0.00 H new ATOM 502 N ARG A 95 9.659 -2.898 -5.425 1.00 0.00 N ATOM 503 CA ARG A 95 8.403 -3.362 -6.013 1.00 0.00 C ATOM 504 C ARG A 95 7.241 -3.319 -5.016 1.00 0.00 C ATOM 505 O ARG A 95 6.185 -2.767 -5.312 1.00 0.00 O ATOM 506 CB ARG A 95 8.576 -4.780 -6.567 1.00 0.00 C ATOM 507 CG ARG A 95 9.227 -5.748 -5.596 1.00 0.00 C ATOM 508 CD ARG A 95 9.422 -7.119 -6.224 1.00 0.00 C ATOM 509 NE ARG A 95 10.282 -7.065 -7.403 1.00 0.00 N ATOM 510 CZ ARG A 95 10.595 -8.128 -8.139 1.00 0.00 C ATOM 511 NH1 ARG A 95 10.116 -9.324 -7.821 1.00 0.00 N ATOM 512 NH2 ARG A 95 11.386 -7.997 -9.195 1.00 0.00 N ATOM 0 H ARG A 95 10.255 -3.643 -5.064 1.00 0.00 H new ATOM 0 HA ARG A 95 8.152 -2.680 -6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.599 -5.169 -6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.177 -4.733 -7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.191 -5.352 -5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.609 -5.840 -4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.857 -7.796 -5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.452 -7.532 -6.502 1.00 0.00 H new ATOM 0 HE ARG A 95 10.665 -6.160 -7.678 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.506 -9.430 -7.010 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.358 -10.137 -8.387 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.756 -7.080 -9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.625 -8.813 -9.758 1.00 0.00 H new ATOM 526 N TYR A 96 7.438 -3.916 -3.844 1.00 0.00 N ATOM 527 CA TYR A 96 6.418 -3.967 -2.809 1.00 0.00 C ATOM 528 C TYR A 96 5.951 -2.579 -2.386 1.00 0.00 C ATOM 529 O TYR A 96 4.752 -2.347 -2.260 1.00 0.00 O ATOM 530 CB TYR A 96 6.970 -4.755 -1.629 1.00 0.00 C ATOM 531 CG TYR A 96 7.173 -6.209 -1.973 1.00 0.00 C ATOM 532 CD1 TYR A 96 6.143 -7.129 -1.838 1.00 0.00 C ATOM 533 CD2 TYR A 96 8.385 -6.653 -2.466 1.00 0.00 C ATOM 534 CE1 TYR A 96 6.323 -8.455 -2.180 1.00 0.00 C ATOM 535 CE2 TYR A 96 8.578 -7.969 -2.815 1.00 0.00 C ATOM 536 CZ TYR A 96 7.545 -8.873 -2.670 1.00 0.00 C ATOM 537 OH TYR A 96 7.732 -10.191 -3.016 1.00 0.00 O ATOM 0 H TYR A 96 8.311 -4.377 -3.588 1.00 0.00 H new ATOM 0 HA TYR A 96 5.534 -4.466 -3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.918 -4.320 -1.313 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.285 -4.673 -0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.185 -6.803 -1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.198 -5.951 -2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.513 -9.161 -2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.533 -8.294 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 96 8.647 -10.317 -3.344 1.00 0.00 H new ATOM 547 N LEU A 97 6.878 -1.655 -2.164 1.00 0.00 N ATOM 548 CA LEU A 97 6.495 -0.312 -1.754 1.00 0.00 C ATOM 549 C LEU A 97 5.785 0.419 -2.886 1.00 0.00 C ATOM 550 O LEU A 97 4.614 0.776 -2.770 1.00 0.00 O ATOM 551 CB LEU A 97 7.724 0.489 -1.341 1.00 0.00 C ATOM 552 CG LEU A 97 7.458 1.639 -0.372 1.00 0.00 C ATOM 553 CD1 LEU A 97 8.673 2.540 -0.278 1.00 0.00 C ATOM 554 CD2 LEU A 97 6.219 2.429 -0.760 1.00 0.00 C ATOM 0 H LEU A 97 7.882 -1.807 -2.259 1.00 0.00 H new ATOM 0 HA LEU A 97 5.816 -0.405 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.443 -0.190 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.193 0.893 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 97 7.267 1.210 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.469 3.355 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.526 1.964 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.899 2.950 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.065 3.238 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.352 2.847 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.351 1.770 -0.755 1.00 0.00 H new ATOM 566 N LYS A 98 6.512 0.644 -3.974 1.00 0.00 N ATOM 567 CA LYS A 98 5.972 1.345 -5.134 1.00 0.00 C ATOM 568 C LYS A 98 4.590 0.813 -5.494 1.00 0.00 C ATOM 569 O LYS A 98 3.703 1.570 -5.888 1.00 0.00 O ATOM 570 CB LYS A 98 6.916 1.199 -6.332 1.00 0.00 C ATOM 571 CG LYS A 98 6.436 1.921 -7.582 1.00 0.00 C ATOM 572 CD LYS A 98 7.409 1.743 -8.738 1.00 0.00 C ATOM 573 CE LYS A 98 6.931 2.462 -9.989 1.00 0.00 C ATOM 574 NZ LYS A 98 6.793 3.928 -9.771 1.00 0.00 N ATOM 0 H LYS A 98 7.483 0.349 -4.078 1.00 0.00 H new ATOM 0 HA LYS A 98 5.881 2.401 -4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.899 1.582 -6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.038 0.140 -6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.455 1.541 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.316 2.983 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.389 2.124 -8.451 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.530 0.681 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.634 2.281 -10.802 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.971 2.050 -10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.986 4.431 -10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.826 4.142 -9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.471 4.236 -9.045 1.00 0.00 H new ATOM 588 N ARG A 99 4.420 -0.495 -5.361 1.00 0.00 N ATOM 589 CA ARG A 99 3.157 -1.139 -5.676 1.00 0.00 C ATOM 590 C ARG A 99 2.109 -0.886 -4.615 1.00 0.00 C ATOM 591 O ARG A 99 1.053 -0.337 -4.909 1.00 0.00 O ATOM 592 CB ARG A 99 3.369 -2.636 -5.860 1.00 0.00 C ATOM 593 CG ARG A 99 2.225 -3.326 -6.587 1.00 0.00 C ATOM 594 CD ARG A 99 2.030 -2.760 -7.984 1.00 0.00 C ATOM 595 NE ARG A 99 0.957 -3.439 -8.704 1.00 0.00 N ATOM 596 CZ ARG A 99 0.581 -3.125 -9.941 1.00 0.00 C ATOM 597 NH1 ARG A 99 1.193 -2.146 -10.595 1.00 0.00 N ATOM 598 NH2 ARG A 99 -0.407 -3.789 -10.524 1.00 0.00 N ATOM 0 H ARG A 99 5.147 -1.132 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 99 2.789 -0.705 -6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.293 -2.799 -6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.500 -3.099 -4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.426 -4.395 -6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.305 -3.209 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.804 -1.696 -7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.959 -2.853 -8.546 1.00 0.00 H new ATOM 0 HE ARG A 99 0.467 -4.198 -8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.953 -1.632 -10.149 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.903 -1.907 -11.543 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -0.880 -4.542 -10.024 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.694 -3.547 -11.472 1.00 0.00 H new ATOM 612 N THR A 100 2.390 -1.299 -3.393 1.00 0.00 N ATOM 613 CA THR A 100 1.440 -1.132 -2.310 1.00 0.00 C ATOM 614 C THR A 100 0.922 0.292 -2.190 1.00 0.00 C ATOM 615 O THR A 100 -0.171 0.509 -1.681 1.00 0.00 O ATOM 616 CB THR A 100 2.015 -1.556 -0.961 1.00 0.00 C ATOM 617 OG1 THR A 100 3.218 -0.831 -0.690 1.00 0.00 O ATOM 618 CG2 THR A 100 2.295 -3.044 -0.916 1.00 0.00 C ATOM 0 H THR A 100 3.265 -1.751 -3.127 1.00 0.00 H new ATOM 0 HA THR A 100 0.608 -1.787 -2.570 1.00 0.00 H new ATOM 0 HB THR A 100 1.270 -1.329 -0.198 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.991 -1.358 -0.984 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.703 -3.308 0.060 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.369 -3.594 -1.083 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.015 -3.302 -1.693 1.00 0.00 H new ATOM 626 N VAL A 101 1.698 1.255 -2.652 1.00 0.00 N ATOM 627 CA VAL A 101 1.295 2.648 -2.588 1.00 0.00 C ATOM 628 C VAL A 101 0.103 2.902 -3.480 1.00 0.00 C ATOM 629 O VAL A 101 -0.914 3.434 -3.046 1.00 0.00 O ATOM 630 CB VAL A 101 2.450 3.533 -3.036 1.00 0.00 C ATOM 631 CG1 VAL A 101 2.007 4.960 -3.272 1.00 0.00 C ATOM 632 CG2 VAL A 101 3.556 3.459 -2.017 1.00 0.00 C ATOM 0 H VAL A 101 2.612 1.098 -3.076 1.00 0.00 H new ATOM 0 HA VAL A 101 1.021 2.881 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 101 2.822 3.166 -3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.861 5.558 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.241 4.980 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.599 5.372 -2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.385 4.091 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.185 3.804 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.899 2.428 -1.927 1.00 0.00 H new ATOM 642 N THR A 102 0.234 2.498 -4.726 1.00 0.00 N ATOM 643 CA THR A 102 -0.831 2.648 -5.685 1.00 0.00 C ATOM 644 C THR A 102 -1.913 1.623 -5.380 1.00 0.00 C ATOM 645 O THR A 102 -3.095 1.843 -5.631 1.00 0.00 O ATOM 646 CB THR A 102 -0.297 2.436 -7.104 1.00 0.00 C ATOM 647 OG1 THR A 102 0.573 3.513 -7.470 1.00 0.00 O ATOM 648 CG2 THR A 102 -1.426 2.315 -8.110 1.00 0.00 C ATOM 0 H THR A 102 1.077 2.060 -5.097 1.00 0.00 H new ATOM 0 HA THR A 102 -1.245 3.654 -5.618 1.00 0.00 H new ATOM 0 HB THR A 102 0.263 1.501 -7.113 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.910 3.367 -8.378 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.011 2.165 -9.107 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.057 1.466 -7.848 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.023 3.227 -8.099 1.00 0.00 H new ATOM 656 N GLU A 103 -1.474 0.507 -4.805 1.00 0.00 N ATOM 657 CA GLU A 103 -2.341 -0.569 -4.413 1.00 0.00 C ATOM 658 C GLU A 103 -3.274 -0.081 -3.327 1.00 0.00 C ATOM 659 O GLU A 103 -4.481 -0.316 -3.360 1.00 0.00 O ATOM 660 CB GLU A 103 -1.487 -1.723 -3.890 1.00 0.00 C ATOM 661 CG GLU A 103 -0.727 -2.471 -4.965 1.00 0.00 C ATOM 662 CD GLU A 103 -1.628 -3.295 -5.865 1.00 0.00 C ATOM 663 OE1 GLU A 103 -2.858 -3.290 -5.642 1.00 0.00 O ATOM 664 OE2 GLU A 103 -1.105 -3.944 -6.794 1.00 0.00 O ATOM 0 H GLU A 103 -0.490 0.335 -4.601 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.931 -0.911 -5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.775 -1.333 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.131 -2.425 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.171 -1.757 -5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.005 -3.127 -4.494 1.00 0.00 H new ATOM 671 N LEU A 104 -2.687 0.632 -2.376 1.00 0.00 N ATOM 672 CA LEU A 104 -3.433 1.201 -1.276 1.00 0.00 C ATOM 673 C LEU A 104 -4.173 2.423 -1.786 1.00 0.00 C ATOM 674 O LEU A 104 -5.273 2.739 -1.341 1.00 0.00 O ATOM 675 CB LEU A 104 -2.489 1.543 -0.109 1.00 0.00 C ATOM 676 CG LEU A 104 -1.482 2.669 -0.340 1.00 0.00 C ATOM 677 CD1 LEU A 104 -2.161 4.020 -0.335 1.00 0.00 C ATOM 678 CD2 LEU A 104 -0.408 2.626 0.723 1.00 0.00 C ATOM 0 H LEU A 104 -1.686 0.828 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.159 0.484 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.099 1.806 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.935 0.642 0.154 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.028 2.522 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.419 4.801 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.908 4.055 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.646 4.180 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.306 3.432 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.864 2.748 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.109 1.667 0.679 1.00 0.00 H new ATOM 690 N ASP A 105 -3.547 3.087 -2.752 1.00 0.00 N ATOM 691 CA ASP A 105 -4.109 4.268 -3.385 1.00 0.00 C ATOM 692 C ASP A 105 -5.248 3.863 -4.305 1.00 0.00 C ATOM 693 O ASP A 105 -6.023 4.697 -4.762 1.00 0.00 O ATOM 694 CB ASP A 105 -3.036 4.987 -4.199 1.00 0.00 C ATOM 695 CG ASP A 105 -3.501 6.331 -4.726 1.00 0.00 C ATOM 696 OD1 ASP A 105 -4.633 6.740 -4.397 1.00 0.00 O ATOM 697 OD2 ASP A 105 -2.730 6.977 -5.463 1.00 0.00 O ATOM 0 H ASP A 105 -2.633 2.818 -3.117 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.483 4.938 -2.611 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.151 5.131 -3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.738 4.356 -5.037 1.00 0.00 H new ATOM 702 N SER A 106 -5.323 2.568 -4.578 1.00 0.00 N ATOM 703 CA SER A 106 -6.345 2.018 -5.452 1.00 0.00 C ATOM 704 C SER A 106 -7.576 1.643 -4.655 1.00 0.00 C ATOM 705 O SER A 106 -8.665 2.164 -4.880 1.00 0.00 O ATOM 706 CB SER A 106 -5.805 0.790 -6.187 1.00 0.00 C ATOM 707 OG SER A 106 -6.795 0.217 -7.023 1.00 0.00 O ATOM 0 H SER A 106 -4.679 1.873 -4.201 1.00 0.00 H new ATOM 0 HA SER A 106 -6.620 2.777 -6.184 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.939 1.073 -6.786 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.464 0.050 -5.463 1.00 0.00 H new ATOM 0 HG SER A 106 -6.423 -0.565 -7.482 1.00 0.00 H new ATOM 713 N VAL A 107 -7.383 0.744 -3.711 1.00 0.00 N ATOM 714 CA VAL A 107 -8.455 0.293 -2.856 1.00 0.00 C ATOM 715 C VAL A 107 -9.091 1.476 -2.160 1.00 0.00 C ATOM 716 O VAL A 107 -10.312 1.595 -2.087 1.00 0.00 O ATOM 717 CB VAL A 107 -7.916 -0.698 -1.828 1.00 0.00 C ATOM 718 CG1 VAL A 107 -9.048 -1.364 -1.084 1.00 0.00 C ATOM 719 CG2 VAL A 107 -7.038 -1.723 -2.519 1.00 0.00 C ATOM 0 H VAL A 107 -6.481 0.309 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 107 -9.211 -0.206 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 107 -7.313 -0.160 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -8.642 -2.066 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -9.639 -0.607 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.682 -1.900 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.655 -2.429 -1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -7.624 -2.259 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.204 -1.218 -3.006 1.00 0.00 H new ATOM 729 N THR A 108 -8.241 2.355 -1.672 1.00 0.00 N ATOM 730 CA THR A 108 -8.685 3.565 -0.996 1.00 0.00 C ATOM 731 C THR A 108 -9.474 4.437 -1.939 1.00 0.00 C ATOM 732 O THR A 108 -10.383 5.168 -1.546 1.00 0.00 O ATOM 733 CB THR A 108 -7.471 4.357 -0.486 1.00 0.00 C ATOM 734 OG1 THR A 108 -7.835 5.157 0.646 1.00 0.00 O ATOM 735 CG2 THR A 108 -6.905 5.252 -1.578 1.00 0.00 C ATOM 0 H THR A 108 -7.227 2.256 -1.730 1.00 0.00 H new ATOM 0 HA THR A 108 -9.318 3.275 -0.157 1.00 0.00 H new ATOM 0 HB THR A 108 -6.706 3.639 -0.190 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.051 5.654 0.961 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.047 5.801 -1.190 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.592 4.640 -2.424 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.670 5.957 -1.903 1.00 0.00 H new ATOM 743 N ALA A 109 -9.071 4.370 -3.178 1.00 0.00 N ATOM 744 CA ALA A 109 -9.654 5.152 -4.229 1.00 0.00 C ATOM 745 C ALA A 109 -11.049 4.678 -4.620 1.00 0.00 C ATOM 746 O ALA A 109 -11.924 5.489 -4.917 1.00 0.00 O ATOM 747 CB ALA A 109 -8.708 5.095 -5.400 1.00 0.00 C ATOM 0 H ALA A 109 -8.315 3.760 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.791 6.177 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.115 5.679 -6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.741 5.505 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.582 4.059 -5.716 1.00 0.00 H new ATOM 753 N ARG A 110 -11.248 3.369 -4.645 1.00 0.00 N ATOM 754 CA ARG A 110 -12.527 2.809 -5.021 1.00 0.00 C ATOM 755 C ARG A 110 -13.448 2.657 -3.820 1.00 0.00 C ATOM 756 O ARG A 110 -14.666 2.711 -3.950 1.00 0.00 O ATOM 757 CB ARG A 110 -12.341 1.464 -5.728 1.00 0.00 C ATOM 758 CG ARG A 110 -11.759 1.580 -7.131 1.00 0.00 C ATOM 759 CD ARG A 110 -10.374 2.215 -7.128 1.00 0.00 C ATOM 760 NE ARG A 110 -9.820 2.333 -8.476 1.00 0.00 N ATOM 761 CZ ARG A 110 -10.367 3.070 -9.440 1.00 0.00 C ATOM 762 NH1 ARG A 110 -11.470 3.769 -9.205 1.00 0.00 N ATOM 763 NH2 ARG A 110 -9.806 3.113 -10.641 1.00 0.00 N ATOM 0 H ARG A 110 -10.536 2.678 -4.408 1.00 0.00 H new ATOM 0 HA ARG A 110 -12.999 3.506 -5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.687 0.835 -5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.305 0.958 -5.786 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -11.702 0.589 -7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.428 2.175 -7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.430 3.203 -6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.703 1.617 -6.512 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.964 1.821 -8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.903 3.743 -8.282 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.885 4.332 -9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.955 2.581 -10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.225 3.678 -11.380 1.00 0.00 H new ATOM 777 N LEU A 111 -12.844 2.466 -2.661 1.00 0.00 N ATOM 778 CA LEU A 111 -13.578 2.289 -1.409 1.00 0.00 C ATOM 779 C LEU A 111 -14.561 3.427 -1.174 1.00 0.00 C ATOM 780 O LEU A 111 -15.663 3.221 -0.665 1.00 0.00 O ATOM 781 CB LEU A 111 -12.593 2.213 -0.242 1.00 0.00 C ATOM 782 CG LEU A 111 -13.204 1.946 1.126 1.00 0.00 C ATOM 783 CD1 LEU A 111 -13.952 0.632 1.109 1.00 0.00 C ATOM 784 CD2 LEU A 111 -12.121 1.926 2.193 1.00 0.00 C ATOM 0 H LEU A 111 -11.830 2.428 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.145 1.361 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.868 1.428 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.041 3.152 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.905 2.746 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.386 0.448 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -14.746 0.675 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.263 -0.175 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.573 1.734 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.401 1.140 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.612 2.890 2.213 1.00 0.00 H new ATOM 796 N ARG A 112 -14.141 4.624 -1.540 1.00 0.00 N ATOM 797 CA ARG A 112 -14.948 5.816 -1.372 1.00 0.00 C ATOM 798 C ARG A 112 -16.254 5.712 -2.152 1.00 0.00 C ATOM 799 O ARG A 112 -17.280 6.255 -1.742 1.00 0.00 O ATOM 800 CB ARG A 112 -14.166 7.048 -1.828 1.00 0.00 C ATOM 801 CG ARG A 112 -13.705 6.970 -3.271 1.00 0.00 C ATOM 802 CD ARG A 112 -13.136 8.298 -3.746 1.00 0.00 C ATOM 803 NE ARG A 112 -11.990 8.717 -2.944 1.00 0.00 N ATOM 804 CZ ARG A 112 -11.322 9.849 -3.144 1.00 0.00 C ATOM 805 NH1 ARG A 112 -11.687 10.677 -4.113 1.00 0.00 N ATOM 806 NH2 ARG A 112 -10.289 10.155 -2.371 1.00 0.00 N ATOM 0 H ARG A 112 -13.229 4.796 -1.963 1.00 0.00 H new ATOM 0 HA ARG A 112 -15.190 5.913 -0.314 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.790 7.933 -1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -13.297 7.176 -1.183 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -12.948 6.192 -3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -14.543 6.683 -3.907 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.836 8.212 -4.790 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.911 9.063 -3.699 1.00 0.00 H new ATOM 0 HE ARG A 112 -11.684 8.106 -2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.483 10.446 -4.708 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -11.172 11.545 -4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -10.007 9.522 -1.623 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -9.777 11.024 -2.525 1.00 0.00 H new ATOM 820 N GLU A 113 -16.204 5.013 -3.278 1.00 0.00 N ATOM 821 CA GLU A 113 -17.361 4.829 -4.116 1.00 0.00 C ATOM 822 C GLU A 113 -18.091 3.560 -3.737 1.00 0.00 C ATOM 823 O GLU A 113 -19.311 3.461 -3.867 1.00 0.00 O ATOM 824 CB GLU A 113 -16.957 4.779 -5.584 1.00 0.00 C ATOM 825 CG GLU A 113 -18.126 4.476 -6.497 1.00 0.00 C ATOM 826 CD GLU A 113 -17.769 4.576 -7.967 1.00 0.00 C ATOM 827 OE1 GLU A 113 -17.353 5.669 -8.405 1.00 0.00 O ATOM 828 OE2 GLU A 113 -17.903 3.559 -8.680 1.00 0.00 O ATOM 0 H GLU A 113 -15.358 4.562 -3.628 1.00 0.00 H new ATOM 0 HA GLU A 113 -18.029 5.677 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -16.516 5.734 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -16.187 4.019 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -18.495 3.472 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -18.940 5.167 -6.278 1.00 0.00 H new ATOM 835 N VAL A 114 -17.323 2.584 -3.287 1.00 0.00 N ATOM 836 CA VAL A 114 -17.876 1.301 -2.906 1.00 0.00 C ATOM 837 C VAL A 114 -18.929 1.460 -1.824 1.00 0.00 C ATOM 838 O VAL A 114 -20.005 0.870 -1.894 1.00 0.00 O ATOM 839 CB VAL A 114 -16.784 0.346 -2.413 1.00 0.00 C ATOM 840 CG1 VAL A 114 -17.377 -1.001 -2.064 1.00 0.00 C ATOM 841 CG2 VAL A 114 -15.709 0.197 -3.463 1.00 0.00 C ATOM 0 H VAL A 114 -16.312 2.658 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 114 -18.339 0.877 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 114 -16.334 0.765 -1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.587 -1.667 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -18.121 -0.878 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -17.850 -1.430 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -14.939 -0.484 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -16.147 -0.203 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.265 1.171 -3.669 1.00 0.00 H new ATOM 851 N GLU A 115 -18.608 2.272 -0.830 1.00 0.00 N ATOM 852 CA GLU A 115 -19.522 2.532 0.267 1.00 0.00 C ATOM 853 C GLU A 115 -20.829 3.057 -0.268 1.00 0.00 C ATOM 854 O GLU A 115 -21.919 2.705 0.179 1.00 0.00 O ATOM 855 CB GLU A 115 -18.919 3.552 1.214 1.00 0.00 C ATOM 856 CG GLU A 115 -18.182 4.651 0.497 1.00 0.00 C ATOM 857 CD GLU A 115 -17.474 5.598 1.445 1.00 0.00 C ATOM 858 OE1 GLU A 115 -16.591 5.135 2.197 1.00 0.00 O ATOM 859 OE2 GLU A 115 -17.805 6.803 1.437 1.00 0.00 O ATOM 0 H GLU A 115 -17.717 2.764 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 115 -19.699 1.601 0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.711 3.989 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -18.235 3.047 1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.452 4.210 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.886 5.215 -0.115 1.00 0.00 H new ATOM 866 N HIS A 116 -20.667 3.929 -1.226 1.00 0.00 N ATOM 867 CA HIS A 116 -21.765 4.600 -1.896 1.00 0.00 C ATOM 868 C HIS A 116 -22.604 3.645 -2.745 1.00 0.00 C ATOM 869 O HIS A 116 -23.708 3.260 -2.359 1.00 0.00 O ATOM 870 CB HIS A 116 -21.181 5.696 -2.772 1.00 0.00 C ATOM 871 CG HIS A 116 -22.207 6.614 -3.352 1.00 0.00 C ATOM 872 ND1 HIS A 116 -22.997 7.450 -2.591 1.00 0.00 N ATOM 873 CD2 HIS A 116 -22.579 6.812 -4.636 1.00 0.00 C ATOM 874 CE1 HIS A 116 -23.812 8.124 -3.385 1.00 0.00 C ATOM 875 NE2 HIS A 116 -23.577 7.755 -4.630 1.00 0.00 N ATOM 0 H HIS A 116 -19.749 4.204 -1.576 1.00 0.00 H new ATOM 0 HA HIS A 116 -22.433 5.013 -1.140 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -20.474 6.281 -2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -20.617 5.237 -3.584 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -22.168 6.320 -5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -24.545 8.852 -3.069 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -24.059 8.113 -5.455 1.00 0.00 H new ATOM 884 N ARG A 117 -22.079 3.289 -3.914 1.00 0.00 N ATOM 885 CA ARG A 117 -22.779 2.404 -4.842 1.00 0.00 C ATOM 886 C ARG A 117 -22.996 1.009 -4.259 1.00 0.00 C ATOM 887 O ARG A 117 -24.106 0.478 -4.308 1.00 0.00 O ATOM 888 CB ARG A 117 -22.002 2.307 -6.157 1.00 0.00 C ATOM 889 CG ARG A 117 -21.903 3.626 -6.905 1.00 0.00 C ATOM 890 CD ARG A 117 -21.112 3.476 -8.196 1.00 0.00 C ATOM 891 NE ARG A 117 -21.729 2.523 -9.113 1.00 0.00 N ATOM 892 CZ ARG A 117 -22.929 2.693 -9.663 1.00 0.00 C ATOM 893 NH1 ARG A 117 -23.634 3.786 -9.404 1.00 0.00 N ATOM 894 NH2 ARG A 117 -23.421 1.771 -10.479 1.00 0.00 N ATOM 0 H ARG A 117 -21.166 3.602 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 117 -23.763 2.836 -5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -20.997 1.941 -5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -22.483 1.570 -6.800 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -22.904 3.994 -7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -21.426 4.371 -6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -21.030 4.447 -8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -20.098 3.150 -7.963 1.00 0.00 H new ATOM 0 HE ARG A 117 -21.210 1.677 -9.346 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -23.257 4.500 -8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -24.553 3.912 -9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -22.880 0.931 -10.685 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -24.341 1.901 -10.900 1.00 0.00 H new ATOM 908 N ALA A 118 -21.935 0.416 -3.718 1.00 0.00 N ATOM 909 CA ALA A 118 -22.020 -0.922 -3.137 1.00 0.00 C ATOM 910 C ALA A 118 -22.450 -1.947 -4.186 1.00 0.00 C ATOM 911 O ALA A 118 -21.995 -1.899 -5.329 1.00 0.00 O ATOM 912 CB ALA A 118 -22.984 -0.918 -1.960 1.00 0.00 C ATOM 0 H ALA A 118 -21.008 0.839 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 118 -21.031 -1.208 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -23.041 -1.919 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -22.629 -0.220 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -23.973 -0.612 -2.301 1.00 0.00 H new ATOM 918 N GLY A 119 -23.325 -2.873 -3.796 1.00 0.00 N ATOM 919 CA GLY A 119 -23.788 -3.888 -4.723 1.00 0.00 C ATOM 920 C GLY A 119 -24.749 -4.869 -4.081 1.00 0.00 C ATOM 921 O GLY A 119 -24.535 -5.309 -2.950 1.00 0.00 O ATOM 0 H GLY A 119 -23.719 -2.937 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -24.278 -3.406 -5.569 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -22.930 -4.432 -5.119 1.00 0.00 H new ATOM 925 N GLU A 120 -25.809 -5.215 -4.805 1.00 0.00 N ATOM 926 CA GLU A 120 -26.809 -6.151 -4.303 1.00 0.00 C ATOM 927 C GLU A 120 -26.180 -7.506 -3.996 1.00 0.00 C ATOM 928 O GLU A 120 -26.689 -8.204 -3.093 1.00 0.00 O ATOM 929 CB GLU A 120 -27.937 -6.319 -5.324 1.00 0.00 C ATOM 930 CG GLU A 120 -28.666 -5.025 -5.643 1.00 0.00 C ATOM 931 CD GLU A 120 -29.353 -4.428 -4.430 1.00 0.00 C ATOM 932 OE1 GLU A 120 -30.265 -5.083 -3.883 1.00 0.00 O ATOM 933 OE2 GLU A 120 -28.977 -3.308 -4.027 1.00 0.00 O ATOM 934 OXT GLU A 120 -25.184 -7.860 -4.662 1.00 0.00 O ATOM 0 H GLU A 120 -25.998 -4.861 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 120 -27.221 -5.744 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -27.524 -6.730 -6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -28.654 -7.046 -4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -27.956 -4.303 -6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -29.407 -5.212 -6.420 1.00 0.00 H new TER 941 GLU A 120 ATOM 942 N ALA B 61 9.915 6.702 -13.463 1.00 0.00 N ATOM 943 CA ALA B 61 9.162 7.688 -12.644 1.00 0.00 C ATOM 944 C ALA B 61 9.792 7.846 -11.266 1.00 0.00 C ATOM 945 O ALA B 61 10.163 6.861 -10.626 1.00 0.00 O ATOM 946 CB ALA B 61 7.708 7.263 -12.513 1.00 0.00 C ATOM 0 HA ALA B 61 9.204 8.653 -13.150 1.00 0.00 H new ATOM 0 HB1 ALA B 61 7.168 7.994 -11.911 1.00 0.00 H new ATOM 0 HB2 ALA B 61 7.256 7.203 -13.503 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.656 6.287 -12.031 1.00 0.00 H new ATOM 954 N SER B 62 9.908 9.091 -10.813 1.00 0.00 N ATOM 955 CA SER B 62 10.493 9.378 -9.508 1.00 0.00 C ATOM 956 C SER B 62 9.697 8.704 -8.397 1.00 0.00 C ATOM 957 O SER B 62 8.467 8.757 -8.381 1.00 0.00 O ATOM 958 CB SER B 62 10.545 10.888 -9.269 1.00 0.00 C ATOM 959 OG SER B 62 11.327 11.536 -10.258 1.00 0.00 O ATOM 0 H SER B 62 9.605 9.916 -11.330 1.00 0.00 H new ATOM 0 HA SER B 62 11.508 8.981 -9.497 1.00 0.00 H new ATOM 0 HB2 SER B 62 9.534 11.295 -9.276 1.00 0.00 H new ATOM 0 HB3 SER B 62 10.962 11.089 -8.282 1.00 0.00 H new ATOM 0 HG SER B 62 11.342 12.500 -10.083 1.00 0.00 H new ATOM 965 N ASP B 63 10.408 8.074 -7.468 1.00 0.00 N ATOM 966 CA ASP B 63 9.772 7.391 -6.350 1.00 0.00 C ATOM 967 C ASP B 63 8.964 8.372 -5.505 1.00 0.00 C ATOM 968 O ASP B 63 7.895 8.033 -4.997 1.00 0.00 O ATOM 969 CB ASP B 63 10.825 6.699 -5.483 1.00 0.00 C ATOM 970 CG ASP B 63 11.621 5.665 -6.255 1.00 0.00 C ATOM 971 OD1 ASP B 63 11.008 4.709 -6.774 1.00 0.00 O ATOM 972 OD2 ASP B 63 12.858 5.813 -6.343 1.00 0.00 O ATOM 0 H ASP B 63 11.427 8.023 -7.468 1.00 0.00 H new ATOM 0 HA ASP B 63 9.093 6.639 -6.752 1.00 0.00 H new ATOM 0 HB2 ASP B 63 11.505 7.447 -5.076 1.00 0.00 H new ATOM 0 HB3 ASP B 63 10.335 6.218 -4.636 1.00 0.00 H new ATOM 977 N ASP B 64 9.486 9.586 -5.361 1.00 0.00 N ATOM 978 CA ASP B 64 8.820 10.622 -4.580 1.00 0.00 C ATOM 979 C ASP B 64 7.395 10.856 -5.071 1.00 0.00 C ATOM 980 O ASP B 64 6.498 11.133 -4.278 1.00 0.00 O ATOM 981 CB ASP B 64 9.613 11.929 -4.644 1.00 0.00 C ATOM 982 CG ASP B 64 11.022 11.778 -4.108 1.00 0.00 C ATOM 983 OD1 ASP B 64 11.788 10.965 -4.669 1.00 0.00 O ATOM 984 OD2 ASP B 64 11.363 12.471 -3.127 1.00 0.00 O ATOM 0 H ASP B 64 10.371 9.877 -5.776 1.00 0.00 H new ATOM 0 HA ASP B 64 8.773 10.280 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP B 64 9.655 12.275 -5.677 1.00 0.00 H new ATOM 0 HB3 ASP B 64 9.090 12.696 -4.073 1.00 0.00 H new ATOM 989 N GLU B 65 7.194 10.747 -6.382 1.00 0.00 N ATOM 990 CA GLU B 65 5.873 10.950 -6.971 1.00 0.00 C ATOM 991 C GLU B 65 4.855 9.988 -6.364 1.00 0.00 C ATOM 992 O GLU B 65 3.767 10.397 -5.958 1.00 0.00 O ATOM 993 CB GLU B 65 5.931 10.761 -8.488 1.00 0.00 C ATOM 994 CG GLU B 65 4.593 10.973 -9.179 1.00 0.00 C ATOM 995 CD GLU B 65 4.675 10.784 -10.682 1.00 0.00 C ATOM 996 OE1 GLU B 65 5.442 11.525 -11.332 1.00 0.00 O ATOM 997 OE2 GLU B 65 3.973 9.895 -11.207 1.00 0.00 O ATOM 0 H GLU B 65 7.926 10.520 -7.055 1.00 0.00 H new ATOM 0 HA GLU B 65 5.558 11.970 -6.753 1.00 0.00 H new ATOM 0 HB2 GLU B 65 6.660 11.456 -8.905 1.00 0.00 H new ATOM 0 HB3 GLU B 65 6.288 9.755 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU B 65 3.862 10.276 -8.768 1.00 0.00 H new ATOM 0 HG3 GLU B 65 4.232 11.978 -8.962 1.00 0.00 H new ATOM 1004 N LEU B 66 5.220 8.712 -6.298 1.00 0.00 N ATOM 1005 CA LEU B 66 4.343 7.694 -5.731 1.00 0.00 C ATOM 1006 C LEU B 66 4.161 7.928 -4.238 1.00 0.00 C ATOM 1007 O LEU B 66 3.051 7.856 -3.712 1.00 0.00 O ATOM 1008 CB LEU B 66 4.916 6.290 -5.966 1.00 0.00 C ATOM 1009 CG LEU B 66 5.028 5.850 -7.431 1.00 0.00 C ATOM 1010 CD1 LEU B 66 3.679 5.955 -8.126 1.00 0.00 C ATOM 1011 CD2 LEU B 66 6.081 6.666 -8.167 1.00 0.00 C ATOM 0 H LEU B 66 6.117 8.358 -6.630 1.00 0.00 H new ATOM 0 HA LEU B 66 3.375 7.765 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU B 66 5.908 6.243 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU B 66 4.291 5.570 -5.437 1.00 0.00 H new ATOM 0 HG LEU B 66 5.342 4.806 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU B 66 3.779 5.639 -9.164 1.00 0.00 H new ATOM 0 HD12 LEU B 66 2.958 5.314 -7.619 1.00 0.00 H new ATOM 0 HD13 LEU B 66 3.332 6.988 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU B 66 6.140 6.334 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.809 7.721 -8.139 1.00 0.00 H new ATOM 0 HD23 LEU B 66 7.050 6.528 -7.686 1.00 0.00 H new ATOM 1023 N PHE B 67 5.269 8.208 -3.568 1.00 0.00 N ATOM 1024 CA PHE B 67 5.269 8.457 -2.135 1.00 0.00 C ATOM 1025 C PHE B 67 4.432 9.685 -1.794 1.00 0.00 C ATOM 1026 O PHE B 67 3.841 9.764 -0.718 1.00 0.00 O ATOM 1027 CB PHE B 67 6.706 8.628 -1.645 1.00 0.00 C ATOM 1028 CG PHE B 67 7.571 7.426 -1.910 1.00 0.00 C ATOM 1029 CD1 PHE B 67 7.014 6.159 -2.005 1.00 0.00 C ATOM 1030 CD2 PHE B 67 8.940 7.561 -2.061 1.00 0.00 C ATOM 1031 CE1 PHE B 67 7.807 5.055 -2.249 1.00 0.00 C ATOM 1032 CE2 PHE B 67 9.739 6.459 -2.303 1.00 0.00 C ATOM 1033 CZ PHE B 67 9.171 5.205 -2.397 1.00 0.00 C ATOM 0 H PHE B 67 6.190 8.269 -4.001 1.00 0.00 H new ATOM 0 HA PHE B 67 4.820 7.602 -1.630 1.00 0.00 H new ATOM 0 HB2 PHE B 67 7.147 9.499 -2.130 1.00 0.00 H new ATOM 0 HB3 PHE B 67 6.696 8.831 -0.574 1.00 0.00 H new ATOM 0 HD1 PHE B 67 5.948 6.035 -1.887 1.00 0.00 H new ATOM 0 HD2 PHE B 67 9.390 8.540 -1.989 1.00 0.00 H new ATOM 0 HE1 PHE B 67 7.360 4.075 -2.324 1.00 0.00 H new ATOM 0 HE2 PHE B 67 10.806 6.579 -2.418 1.00 0.00 H new ATOM 0 HZ PHE B 67 9.793 4.342 -2.586 1.00 0.00 H new ATOM 1043 N SER B 68 4.381 10.636 -2.722 1.00 0.00 N ATOM 1044 CA SER B 68 3.608 11.855 -2.522 1.00 0.00 C ATOM 1045 C SER B 68 2.147 11.510 -2.255 1.00 0.00 C ATOM 1046 O SER B 68 1.511 12.098 -1.380 1.00 0.00 O ATOM 1047 CB SER B 68 3.718 12.765 -3.748 1.00 0.00 C ATOM 1048 OG SER B 68 2.982 13.961 -3.562 1.00 0.00 O ATOM 0 H SER B 68 4.865 10.585 -3.618 1.00 0.00 H new ATOM 0 HA SER B 68 4.011 12.385 -1.659 1.00 0.00 H new ATOM 0 HB2 SER B 68 4.765 13.004 -3.935 1.00 0.00 H new ATOM 0 HB3 SER B 68 3.349 12.240 -4.629 1.00 0.00 H new ATOM 0 HG SER B 68 3.069 14.526 -4.358 1.00 0.00 H new ATOM 1054 N MET B 69 1.631 10.541 -3.006 1.00 0.00 N ATOM 1055 CA MET B 69 0.252 10.098 -2.844 1.00 0.00 C ATOM 1056 C MET B 69 0.021 9.661 -1.403 1.00 0.00 C ATOM 1057 O MET B 69 -1.058 9.854 -0.842 1.00 0.00 O ATOM 1058 CB MET B 69 -0.055 8.944 -3.808 1.00 0.00 C ATOM 1059 CG MET B 69 0.279 9.267 -5.254 1.00 0.00 C ATOM 1060 SD MET B 69 -0.116 7.920 -6.387 1.00 0.00 S ATOM 1061 CE MET B 69 0.998 6.646 -5.805 1.00 0.00 C ATOM 0 H MET B 69 2.149 10.048 -3.733 1.00 0.00 H new ATOM 0 HA MET B 69 -0.418 10.926 -3.077 1.00 0.00 H new ATOM 0 HB2 MET B 69 0.508 8.063 -3.500 1.00 0.00 H new ATOM 0 HB3 MET B 69 -1.112 8.689 -3.734 1.00 0.00 H new ATOM 0 HG2 MET B 69 -0.267 10.161 -5.556 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.341 9.501 -5.332 1.00 0.00 H new ATOM 0 HE1 MET B 69 1.661 6.345 -6.616 1.00 0.00 H new ATOM 0 HE2 MET B 69 1.591 7.032 -4.976 1.00 0.00 H new ATOM 0 HE3 MET B 69 0.421 5.784 -5.469 1.00 0.00 H new ATOM 1071 N LEU B 70 1.058 9.076 -0.813 1.00 0.00 N ATOM 1072 CA LEU B 70 1.004 8.605 0.563 1.00 0.00 C ATOM 1073 C LEU B 70 1.092 9.765 1.547 1.00 0.00 C ATOM 1074 O LEU B 70 0.472 9.739 2.601 1.00 0.00 O ATOM 1075 CB LEU B 70 2.149 7.635 0.832 1.00 0.00 C ATOM 1076 CG LEU B 70 2.260 6.474 -0.150 1.00 0.00 C ATOM 1077 CD1 LEU B 70 3.449 5.603 0.214 1.00 0.00 C ATOM 1078 CD2 LEU B 70 0.977 5.658 -0.169 1.00 0.00 C ATOM 0 H LEU B 70 1.954 8.916 -1.273 1.00 0.00 H new ATOM 0 HA LEU B 70 0.049 8.098 0.702 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.086 8.192 0.819 1.00 0.00 H new ATOM 0 HB3 LEU B 70 2.032 7.230 1.837 1.00 0.00 H new ATOM 0 HG LEU B 70 2.413 6.875 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU B 70 3.523 4.775 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU B 70 4.362 6.198 0.173 1.00 0.00 H new ATOM 0 HD13 LEU B 70 3.317 5.210 1.222 1.00 0.00 H new ATOM 0 HD21 LEU B 70 1.079 4.835 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU B 70 0.785 5.258 0.827 1.00 0.00 H new ATOM 0 HD23 LEU B 70 0.145 6.295 -0.471 1.00 0.00 H new ATOM 1090 N ASP B 71 1.885 10.770 1.205 1.00 0.00 N ATOM 1091 CA ASP B 71 2.066 11.928 2.073 1.00 0.00 C ATOM 1092 C ASP B 71 0.723 12.533 2.482 1.00 0.00 C ATOM 1093 O ASP B 71 0.535 12.927 3.633 1.00 0.00 O ATOM 1094 CB ASP B 71 2.922 12.985 1.372 1.00 0.00 C ATOM 1095 CG ASP B 71 3.214 14.177 2.261 1.00 0.00 C ATOM 1096 OD1 ASP B 71 3.873 13.991 3.305 1.00 0.00 O ATOM 1097 OD2 ASP B 71 2.782 15.295 1.915 1.00 0.00 O ATOM 0 H ASP B 71 2.414 10.808 0.334 1.00 0.00 H new ATOM 0 HA ASP B 71 2.575 11.592 2.976 1.00 0.00 H new ATOM 0 HB2 ASP B 71 3.862 12.534 1.054 1.00 0.00 H new ATOM 0 HB3 ASP B 71 2.410 13.324 0.471 1.00 0.00 H new ATOM 1102 N GLN B 72 -0.200 12.613 1.529 1.00 0.00 N ATOM 1103 CA GLN B 72 -1.522 13.182 1.784 1.00 0.00 C ATOM 1104 C GLN B 72 -2.447 12.197 2.503 1.00 0.00 C ATOM 1105 O GLN B 72 -3.193 12.581 3.402 1.00 0.00 O ATOM 1106 CB GLN B 72 -2.161 13.628 0.468 1.00 0.00 C ATOM 1107 CG GLN B 72 -1.402 14.750 -0.229 1.00 0.00 C ATOM 1108 CD GLN B 72 -1.440 16.063 0.536 1.00 0.00 C ATOM 1109 OE1 GLN B 72 -0.801 17.037 0.139 1.00 0.00 O ATOM 1110 NE2 GLN B 72 -2.197 16.104 1.628 1.00 0.00 N ATOM 0 H GLN B 72 -0.058 12.291 0.572 1.00 0.00 H new ATOM 0 HA GLN B 72 -1.385 14.042 2.440 1.00 0.00 H new ATOM 0 HB2 GLN B 72 -2.225 12.772 -0.204 1.00 0.00 H new ATOM 0 HB3 GLN B 72 -3.182 13.957 0.663 1.00 0.00 H new ATOM 0 HG2 GLN B 72 -0.364 14.447 -0.367 1.00 0.00 H new ATOM 0 HG3 GLN B 72 -1.824 14.903 -1.222 1.00 0.00 H new ATOM 0 HE21 GLN B 72 -2.711 15.274 1.924 1.00 0.00 H new ATOM 0 HE22 GLN B 72 -2.264 16.965 2.170 1.00 0.00 H new ATOM 1119 N ARG B 73 -2.414 10.936 2.092 1.00 0.00 N ATOM 1120 CA ARG B 73 -3.268 9.913 2.692 1.00 0.00 C ATOM 1121 C ARG B 73 -2.808 9.540 4.102 1.00 0.00 C ATOM 1122 O ARG B 73 -3.623 9.390 5.012 1.00 0.00 O ATOM 1123 CB ARG B 73 -3.293 8.669 1.802 1.00 0.00 C ATOM 1124 CG ARG B 73 -3.838 8.940 0.410 1.00 0.00 C ATOM 1125 CD ARG B 73 -3.846 7.686 -0.449 1.00 0.00 C ATOM 1126 NE ARG B 73 -4.430 7.935 -1.766 1.00 0.00 N ATOM 1127 CZ ARG B 73 -5.693 8.309 -1.954 1.00 0.00 C ATOM 1128 NH1 ARG B 73 -6.511 8.442 -0.918 1.00 0.00 N ATOM 1129 NH2 ARG B 73 -6.142 8.546 -3.179 1.00 0.00 N ATOM 0 H ARG B 73 -1.807 10.595 1.347 1.00 0.00 H new ATOM 0 HA ARG B 73 -4.273 10.326 2.773 1.00 0.00 H new ATOM 0 HB2 ARG B 73 -2.282 8.270 1.718 1.00 0.00 H new ATOM 0 HB3 ARG B 73 -3.901 7.900 2.280 1.00 0.00 H new ATOM 0 HG2 ARG B 73 -4.851 9.334 0.487 1.00 0.00 H new ATOM 0 HG3 ARG B 73 -3.234 9.708 -0.074 1.00 0.00 H new ATOM 0 HD2 ARG B 73 -2.826 7.319 -0.567 1.00 0.00 H new ATOM 0 HD3 ARG B 73 -4.410 6.902 0.057 1.00 0.00 H new ATOM 0 HE ARG B 73 -3.836 7.815 -2.587 1.00 0.00 H new ATOM 0 HH11 ARG B 73 -6.172 8.257 0.026 1.00 0.00 H new ATOM 0 HH12 ARG B 73 -7.479 8.729 -1.066 1.00 0.00 H new ATOM 0 HH21 ARG B 73 -5.519 8.442 -3.980 1.00 0.00 H new ATOM 0 HH22 ARG B 73 -7.111 8.833 -3.321 1.00 0.00 H new ATOM 1143 N PHE B 74 -1.503 9.378 4.264 1.00 0.00 N ATOM 1144 CA PHE B 74 -0.916 9.003 5.548 1.00 0.00 C ATOM 1145 C PHE B 74 -0.977 10.149 6.557 1.00 0.00 C ATOM 1146 O PHE B 74 -0.880 9.925 7.764 1.00 0.00 O ATOM 1147 CB PHE B 74 0.541 8.567 5.349 1.00 0.00 C ATOM 1148 CG PHE B 74 0.713 7.301 4.544 1.00 0.00 C ATOM 1149 CD1 PHE B 74 -0.339 6.767 3.812 1.00 0.00 C ATOM 1150 CD2 PHE B 74 1.937 6.651 4.513 1.00 0.00 C ATOM 1151 CE1 PHE B 74 -0.174 5.613 3.070 1.00 0.00 C ATOM 1152 CE2 PHE B 74 2.108 5.495 3.773 1.00 0.00 C ATOM 1153 CZ PHE B 74 1.050 4.976 3.051 1.00 0.00 C ATOM 0 H PHE B 74 -0.822 9.501 3.515 1.00 0.00 H new ATOM 0 HA PHE B 74 -1.499 8.174 5.948 1.00 0.00 H new ATOM 0 HB2 PHE B 74 1.084 9.373 4.855 1.00 0.00 H new ATOM 0 HB3 PHE B 74 1.001 8.426 6.327 1.00 0.00 H new ATOM 0 HD1 PHE B 74 -1.300 7.260 3.823 1.00 0.00 H new ATOM 0 HD2 PHE B 74 2.768 7.052 5.074 1.00 0.00 H new ATOM 0 HE1 PHE B 74 -1.002 5.210 2.506 1.00 0.00 H new ATOM 0 HE2 PHE B 74 3.067 4.999 3.759 1.00 0.00 H new ATOM 0 HZ PHE B 74 1.181 4.073 2.473 1.00 0.00 H new ATOM 1163 N GLY B 75 -1.134 11.377 6.065 1.00 0.00 N ATOM 1164 CA GLY B 75 -1.194 12.522 6.959 1.00 0.00 C ATOM 1165 C GLY B 75 -1.320 13.844 6.223 1.00 0.00 C ATOM 1166 O GLY B 75 -0.493 14.738 6.399 1.00 0.00 O ATOM 0 H GLY B 75 -1.220 11.598 5.073 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -2.043 12.406 7.633 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -0.296 12.541 7.577 1.00 0.00 H new ATOM 1170 N GLY B 76 -2.355 13.967 5.401 1.00 0.00 N ATOM 1171 CA GLY B 76 -2.569 15.191 4.649 1.00 0.00 C ATOM 1172 C GLY B 76 -2.731 16.404 5.545 1.00 0.00 C ATOM 1173 O GLY B 76 -3.378 16.331 6.590 1.00 0.00 O ATOM 0 H GLY B 76 -3.052 13.240 5.241 1.00 0.00 H new ATOM 0 HA2 GLY B 76 -1.727 15.351 3.975 1.00 0.00 H new ATOM 0 HA3 GLY B 76 -3.458 15.081 4.028 1.00 0.00 H new ATOM 1177 N GLY B 77 -2.140 17.523 5.134 1.00 0.00 N ATOM 1178 CA GLY B 77 -2.230 18.742 5.917 1.00 0.00 C ATOM 1179 C GLY B 77 -1.424 18.668 7.199 1.00 0.00 C ATOM 1180 O GLY B 77 -1.416 17.641 7.877 1.00 0.00 O ATOM 0 H GLY B 77 -1.600 17.607 4.272 1.00 0.00 H new ATOM 0 HA2 GLY B 77 -1.878 19.582 5.318 1.00 0.00 H new ATOM 0 HA3 GLY B 77 -3.274 18.939 6.159 1.00 0.00 H new ATOM 1184 N GLU B 78 -0.740 19.760 7.530 1.00 0.00 N ATOM 1185 CA GLU B 78 0.077 19.812 8.738 1.00 0.00 C ATOM 1186 C GLU B 78 0.540 21.240 9.023 1.00 0.00 C ATOM 1187 O GLU B 78 -0.128 22.204 8.648 1.00 0.00 O ATOM 1188 CB GLU B 78 1.286 18.877 8.594 1.00 0.00 C ATOM 1189 CG GLU B 78 2.362 19.371 7.630 1.00 0.00 C ATOM 1190 CD GLU B 78 1.830 19.741 6.259 1.00 0.00 C ATOM 1191 OE1 GLU B 78 1.129 20.768 6.150 1.00 0.00 O ATOM 1192 OE2 GLU B 78 2.118 19.005 5.293 1.00 0.00 O ATOM 0 H GLU B 78 -0.735 20.619 6.980 1.00 0.00 H new ATOM 0 HA GLU B 78 -0.531 19.480 9.580 1.00 0.00 H new ATOM 0 HB2 GLU B 78 1.736 18.733 9.576 1.00 0.00 H new ATOM 0 HB3 GLU B 78 0.936 17.901 8.257 1.00 0.00 H new ATOM 0 HG2 GLU B 78 2.855 20.240 8.065 1.00 0.00 H new ATOM 0 HG3 GLU B 78 3.121 18.596 7.519 1.00 0.00 H new ATOM 1199 N ASP B 79 1.688 21.370 9.684 1.00 0.00 N ATOM 1200 CA ASP B 79 2.241 22.679 10.017 1.00 0.00 C ATOM 1201 C ASP B 79 3.765 22.621 10.053 1.00 0.00 C ATOM 1202 O ASP B 79 4.442 23.474 9.478 1.00 0.00 O ATOM 1203 CB ASP B 79 1.718 23.162 11.374 1.00 0.00 C ATOM 1204 CG ASP B 79 0.215 23.375 11.392 1.00 0.00 C ATOM 1205 OD1 ASP B 79 -0.529 22.386 11.235 1.00 0.00 O ATOM 1206 OD2 ASP B 79 -0.216 24.533 11.567 1.00 0.00 O ATOM 0 H ASP B 79 2.254 20.582 10.000 1.00 0.00 H new ATOM 0 HA ASP B 79 1.925 23.381 9.245 1.00 0.00 H new ATOM 0 HB2 ASP B 79 1.985 22.433 12.140 1.00 0.00 H new ATOM 0 HB3 ASP B 79 2.214 24.096 11.636 1.00 0.00 H new ATOM 1211 N LEU B 80 4.295 21.609 10.731 1.00 0.00 N ATOM 1212 CA LEU B 80 5.737 21.433 10.845 1.00 0.00 C ATOM 1213 C LEU B 80 6.363 21.154 9.482 1.00 0.00 C ATOM 1214 O LEU B 80 5.822 20.386 8.686 1.00 0.00 O ATOM 1215 CB LEU B 80 6.059 20.292 11.813 1.00 0.00 C ATOM 1216 CG LEU B 80 5.593 20.513 13.253 1.00 0.00 C ATOM 1217 CD1 LEU B 80 5.870 19.280 14.100 1.00 0.00 C ATOM 1218 CD2 LEU B 80 6.268 21.738 13.853 1.00 0.00 C ATOM 0 H LEU B 80 3.745 20.896 11.211 1.00 0.00 H new ATOM 0 HA LEU B 80 6.160 22.359 11.234 1.00 0.00 H new ATOM 0 HB2 LEU B 80 5.603 19.377 11.436 1.00 0.00 H new ATOM 0 HB3 LEU B 80 7.137 20.133 11.817 1.00 0.00 H new ATOM 0 HG LEU B 80 4.517 20.687 13.242 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.532 19.456 15.121 1.00 0.00 H new ATOM 0 HD12 LEU B 80 5.337 18.425 13.684 1.00 0.00 H new ATOM 0 HD13 LEU B 80 6.940 19.074 14.103 1.00 0.00 H new ATOM 0 HD21 LEU B 80 5.923 21.878 14.878 1.00 0.00 H new ATOM 0 HD22 LEU B 80 7.349 21.596 13.850 1.00 0.00 H new ATOM 0 HD23 LEU B 80 6.016 22.618 13.262 1.00 0.00 H new ATOM 1230 N LEU B 81 7.503 21.785 9.223 1.00 0.00 N ATOM 1231 CA LEU B 81 8.205 21.609 7.956 1.00 0.00 C ATOM 1232 C LEU B 81 8.596 20.148 7.750 1.00 0.00 C ATOM 1233 O LEU B 81 9.172 19.519 8.638 1.00 0.00 O ATOM 1234 CB LEU B 81 9.453 22.494 7.922 1.00 0.00 C ATOM 1235 CG LEU B 81 10.204 22.512 6.589 1.00 0.00 C ATOM 1236 CD1 LEU B 81 9.323 23.084 5.489 1.00 0.00 C ATOM 1237 CD2 LEU B 81 11.492 23.312 6.715 1.00 0.00 C ATOM 0 H LEU B 81 7.961 22.423 9.873 1.00 0.00 H new ATOM 0 HA LEU B 81 7.534 21.902 7.148 1.00 0.00 H new ATOM 0 HB2 LEU B 81 9.162 23.515 8.170 1.00 0.00 H new ATOM 0 HB3 LEU B 81 10.137 22.159 8.702 1.00 0.00 H new ATOM 0 HG LEU B 81 10.461 21.487 6.323 1.00 0.00 H new ATOM 0 HD11 LEU B 81 9.873 23.089 4.548 1.00 0.00 H new ATOM 0 HD12 LEU B 81 8.429 22.470 5.383 1.00 0.00 H new ATOM 0 HD13 LEU B 81 9.035 24.103 5.747 1.00 0.00 H new ATOM 0 HD21 LEU B 81 12.014 23.315 5.758 1.00 0.00 H new ATOM 0 HD22 LEU B 81 11.257 24.337 7.003 1.00 0.00 H new ATOM 0 HD23 LEU B 81 12.129 22.859 7.474 1.00 0.00 H new ATOM 1249 N MET B 82 8.276 19.615 6.574 1.00 0.00 N ATOM 1250 CA MET B 82 8.592 18.226 6.254 1.00 0.00 C ATOM 1251 C MET B 82 10.102 17.998 6.244 1.00 0.00 C ATOM 1252 O MET B 82 10.588 16.977 6.730 1.00 0.00 O ATOM 1253 CB MET B 82 7.991 17.830 4.899 1.00 0.00 C ATOM 1254 CG MET B 82 8.595 18.561 3.707 1.00 0.00 C ATOM 1255 SD MET B 82 8.254 20.332 3.715 1.00 0.00 S ATOM 1256 CE MET B 82 6.464 20.335 3.652 1.00 0.00 C ATOM 0 H MET B 82 7.799 20.122 5.828 1.00 0.00 H new ATOM 0 HA MET B 82 8.152 17.598 7.029 1.00 0.00 H new ATOM 0 HB2 MET B 82 8.122 16.757 4.757 1.00 0.00 H new ATOM 0 HB3 MET B 82 6.918 18.020 4.921 1.00 0.00 H new ATOM 0 HG2 MET B 82 9.674 18.405 3.701 1.00 0.00 H new ATOM 0 HG3 MET B 82 8.205 18.126 2.787 1.00 0.00 H new ATOM 0 HE1 MET B 82 6.124 21.141 3.002 1.00 0.00 H new ATOM 0 HE2 MET B 82 6.112 19.381 3.261 1.00 0.00 H new ATOM 0 HE3 MET B 82 6.065 20.485 4.655 1.00 0.00 H new ATOM 1266 N SER B 83 10.835 18.959 5.685 1.00 0.00 N ATOM 1267 CA SER B 83 12.290 18.871 5.607 1.00 0.00 C ATOM 1268 C SER B 83 12.724 17.614 4.853 1.00 0.00 C ATOM 1269 O SER B 83 12.034 17.160 3.941 1.00 0.00 O ATOM 1270 CB SER B 83 12.898 18.879 7.012 1.00 0.00 C ATOM 1271 OG SER B 83 12.559 20.067 7.707 1.00 0.00 O ATOM 0 H SER B 83 10.443 19.809 5.279 1.00 0.00 H new ATOM 0 HA SER B 83 12.653 19.740 5.058 1.00 0.00 H new ATOM 0 HB2 SER B 83 12.543 18.013 7.571 1.00 0.00 H new ATOM 0 HB3 SER B 83 13.982 18.791 6.943 1.00 0.00 H new ATOM 0 HG SER B 83 12.958 20.047 8.602 1.00 0.00 H new ATOM 1277 N GLY B 84 13.870 17.058 5.239 1.00 0.00 N ATOM 1278 CA GLY B 84 14.371 15.862 4.587 1.00 0.00 C ATOM 1279 C GLY B 84 15.802 15.547 4.977 1.00 0.00 C ATOM 1280 O GLY B 84 16.643 16.443 5.048 1.00 0.00 O ATOM 0 H GLY B 84 14.459 17.415 5.991 1.00 0.00 H new ATOM 0 HA2 GLY B 84 13.733 15.017 4.844 1.00 0.00 H new ATOM 0 HA3 GLY B 84 14.311 15.989 3.506 1.00 0.00 H new ATOM 1284 N ASP B 85 16.081 14.270 5.229 1.00 0.00 N ATOM 1285 CA ASP B 85 17.423 13.842 5.612 1.00 0.00 C ATOM 1286 C ASP B 85 17.520 12.317 5.627 1.00 0.00 C ATOM 1287 O ASP B 85 18.103 11.728 6.537 1.00 0.00 O ATOM 1288 CB ASP B 85 17.785 14.404 6.990 1.00 0.00 C ATOM 1289 CG ASP B 85 19.221 14.114 7.380 1.00 0.00 C ATOM 1290 OD1 ASP B 85 20.135 14.598 6.681 1.00 0.00 O ATOM 1291 OD2 ASP B 85 19.431 13.400 8.382 1.00 0.00 O ATOM 0 H ASP B 85 15.397 13.516 5.175 1.00 0.00 H new ATOM 0 HA ASP B 85 18.128 14.227 4.875 1.00 0.00 H new ATOM 0 HB2 ASP B 85 17.622 15.482 6.993 1.00 0.00 H new ATOM 0 HB3 ASP B 85 17.116 13.979 7.739 1.00 0.00 H new ATOM 1296 N ASN B 86 16.945 11.685 4.609 1.00 0.00 N ATOM 1297 CA ASN B 86 16.967 10.230 4.500 1.00 0.00 C ATOM 1298 C ASN B 86 18.375 9.729 4.195 1.00 0.00 C ATOM 1299 O ASN B 86 19.071 10.284 3.345 1.00 0.00 O ATOM 1300 CB ASN B 86 15.998 9.765 3.411 1.00 0.00 C ATOM 1301 CG ASN B 86 14.568 10.179 3.697 1.00 0.00 C ATOM 1302 OD1 ASN B 86 13.990 9.797 4.714 1.00 0.00 O ATOM 1303 ND2 ASN B 86 13.989 10.965 2.797 1.00 0.00 N ATOM 0 H ASN B 86 16.458 12.157 3.847 1.00 0.00 H new ATOM 0 HA ASN B 86 16.653 9.813 5.457 1.00 0.00 H new ATOM 0 HB2 ASN B 86 16.308 10.178 2.451 1.00 0.00 H new ATOM 0 HB3 ASN B 86 16.049 8.680 3.322 1.00 0.00 H new ATOM 0 HD21 ASN B 86 13.027 11.276 2.935 1.00 0.00 H new ATOM 0 HD22 ASN B 86 14.506 11.258 1.968 1.00 0.00 H new ATOM 1310 N GLY B 87 18.788 8.676 4.895 1.00 0.00 N ATOM 1311 CA GLY B 87 20.113 8.118 4.683 1.00 0.00 C ATOM 1312 C GLY B 87 20.307 7.605 3.270 1.00 0.00 C ATOM 1313 O GLY B 87 21.291 7.942 2.611 1.00 0.00 O ATOM 0 H GLY B 87 18.230 8.200 5.604 1.00 0.00 H new ATOM 0 HA2 GLY B 87 20.863 8.880 4.896 1.00 0.00 H new ATOM 0 HA3 GLY B 87 20.278 7.303 5.388 1.00 0.00 H new ATOM 1317 N MET B 88 19.360 6.794 2.804 1.00 0.00 N ATOM 1318 CA MET B 88 19.421 6.229 1.457 1.00 0.00 C ATOM 1319 C MET B 88 18.016 5.926 0.942 1.00 0.00 C ATOM 1320 O MET B 88 17.053 6.601 1.309 1.00 0.00 O ATOM 1321 CB MET B 88 20.257 4.944 1.452 1.00 0.00 C ATOM 1322 CG MET B 88 21.724 5.155 1.790 1.00 0.00 C ATOM 1323 SD MET B 88 22.578 6.182 0.578 1.00 0.00 S ATOM 1324 CE MET B 88 24.230 6.211 1.266 1.00 0.00 C ATOM 0 H MET B 88 18.539 6.513 3.340 1.00 0.00 H new ATOM 0 HA MET B 88 19.891 6.962 0.802 1.00 0.00 H new ATOM 0 HB2 MET B 88 19.828 4.242 2.167 1.00 0.00 H new ATOM 0 HB3 MET B 88 20.185 4.481 0.468 1.00 0.00 H new ATOM 0 HG2 MET B 88 21.803 5.619 2.773 1.00 0.00 H new ATOM 0 HG3 MET B 88 22.221 4.187 1.854 1.00 0.00 H new ATOM 0 HE1 MET B 88 24.880 6.809 0.627 1.00 0.00 H new ATOM 0 HE2 MET B 88 24.201 6.647 2.264 1.00 0.00 H new ATOM 0 HE3 MET B 88 24.617 5.194 1.326 1.00 0.00 H new ATOM 1334 N THR B 89 17.904 4.905 0.097 1.00 0.00 N ATOM 1335 CA THR B 89 16.616 4.513 -0.458 1.00 0.00 C ATOM 1336 C THR B 89 15.788 3.756 0.575 1.00 0.00 C ATOM 1337 O THR B 89 14.594 4.003 0.726 1.00 0.00 O ATOM 1338 CB THR B 89 16.785 3.633 -1.713 1.00 0.00 C ATOM 1339 OG1 THR B 89 17.541 4.336 -2.706 1.00 0.00 O ATOM 1340 CG2 THR B 89 15.434 3.235 -2.292 1.00 0.00 C ATOM 0 H THR B 89 18.690 4.336 -0.217 1.00 0.00 H new ATOM 0 HA THR B 89 16.098 5.430 -0.739 1.00 0.00 H new ATOM 0 HB THR B 89 17.316 2.727 -1.419 1.00 0.00 H new ATOM 0 HG1 THR B 89 18.112 3.704 -3.191 1.00 0.00 H new ATOM 0 HG21 THR B 89 15.585 2.615 -3.176 1.00 0.00 H new ATOM 0 HG22 THR B 89 14.870 2.674 -1.547 1.00 0.00 H new ATOM 0 HG23 THR B 89 14.878 4.131 -2.568 1.00 0.00 H new ATOM 1348 N GLU B 90 16.433 2.830 1.282 1.00 0.00 N ATOM 1349 CA GLU B 90 15.752 2.032 2.297 1.00 0.00 C ATOM 1350 C GLU B 90 15.045 2.913 3.320 1.00 0.00 C ATOM 1351 O GLU B 90 13.881 2.687 3.631 1.00 0.00 O ATOM 1352 CB GLU B 90 16.738 1.113 3.019 1.00 0.00 C ATOM 1353 CG GLU B 90 17.470 0.152 2.100 1.00 0.00 C ATOM 1354 CD GLU B 90 18.478 -0.707 2.840 1.00 0.00 C ATOM 1355 OE1 GLU B 90 18.067 -1.439 3.765 1.00 0.00 O ATOM 1356 OE2 GLU B 90 19.677 -0.646 2.496 1.00 0.00 O ATOM 0 H GLU B 90 17.424 2.615 1.170 1.00 0.00 H new ATOM 0 HA GLU B 90 15.006 1.428 1.781 1.00 0.00 H new ATOM 0 HB2 GLU B 90 17.470 1.725 3.546 1.00 0.00 H new ATOM 0 HB3 GLU B 90 16.199 0.540 3.773 1.00 0.00 H new ATOM 0 HG2 GLU B 90 16.745 -0.492 1.602 1.00 0.00 H new ATOM 0 HG3 GLU B 90 17.982 0.718 1.322 1.00 0.00 H new ATOM 1363 N GLU B 91 15.758 3.908 3.847 1.00 0.00 N ATOM 1364 CA GLU B 91 15.192 4.812 4.849 1.00 0.00 C ATOM 1365 C GLU B 91 13.765 5.208 4.492 1.00 0.00 C ATOM 1366 O GLU B 91 12.853 5.088 5.310 1.00 0.00 O ATOM 1367 CB GLU B 91 16.057 6.068 4.985 1.00 0.00 C ATOM 1368 CG GLU B 91 15.511 7.080 5.980 1.00 0.00 C ATOM 1369 CD GLU B 91 15.472 6.550 7.402 1.00 0.00 C ATOM 1370 OE1 GLU B 91 15.964 5.426 7.634 1.00 0.00 O ATOM 1371 OE2 GLU B 91 14.955 7.264 8.286 1.00 0.00 O ATOM 0 H GLU B 91 16.727 4.109 3.598 1.00 0.00 H new ATOM 0 HA GLU B 91 15.175 4.282 5.801 1.00 0.00 H new ATOM 0 HB2 GLU B 91 17.061 5.776 5.291 1.00 0.00 H new ATOM 0 HB3 GLU B 91 16.148 6.544 4.009 1.00 0.00 H new ATOM 0 HG2 GLU B 91 16.126 7.979 5.950 1.00 0.00 H new ATOM 0 HG3 GLU B 91 14.505 7.371 5.679 1.00 0.00 H new ATOM 1378 N LYS B 92 13.578 5.669 3.263 1.00 0.00 N ATOM 1379 CA LYS B 92 12.262 6.071 2.792 1.00 0.00 C ATOM 1380 C LYS B 92 11.379 4.842 2.582 1.00 0.00 C ATOM 1381 O LYS B 92 10.200 4.840 2.930 1.00 0.00 O ATOM 1382 CB LYS B 92 12.397 6.871 1.496 1.00 0.00 C ATOM 1383 CG LYS B 92 11.100 7.504 1.020 1.00 0.00 C ATOM 1384 CD LYS B 92 11.346 8.485 -0.116 1.00 0.00 C ATOM 1385 CE LYS B 92 12.197 9.663 0.331 1.00 0.00 C ATOM 1386 NZ LYS B 92 11.547 10.433 1.426 1.00 0.00 N ATOM 0 H LYS B 92 14.323 5.774 2.574 1.00 0.00 H new ATOM 0 HA LYS B 92 11.790 6.704 3.543 1.00 0.00 H new ATOM 0 HB2 LYS B 92 13.140 7.655 1.641 1.00 0.00 H new ATOM 0 HB3 LYS B 92 12.777 6.214 0.714 1.00 0.00 H new ATOM 0 HG2 LYS B 92 10.414 6.725 0.688 1.00 0.00 H new ATOM 0 HG3 LYS B 92 10.619 8.020 1.851 1.00 0.00 H new ATOM 0 HD2 LYS B 92 11.841 7.971 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS B 92 10.391 8.849 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS B 92 13.169 9.302 0.668 1.00 0.00 H new ATOM 0 HE3 LYS B 92 12.379 10.322 -0.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 11.888 11.415 1.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 10.516 10.422 1.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 11.783 10.000 2.342 1.00 0.00 H new ATOM 1400 N LEU B 93 11.973 3.794 2.022 1.00 0.00 N ATOM 1401 CA LEU B 93 11.262 2.545 1.767 1.00 0.00 C ATOM 1402 C LEU B 93 10.858 1.848 3.067 1.00 0.00 C ATOM 1403 O LEU B 93 10.028 0.943 3.056 1.00 0.00 O ATOM 1404 CB LEU B 93 12.119 1.612 0.902 1.00 0.00 C ATOM 1405 CG LEU B 93 12.063 1.880 -0.611 1.00 0.00 C ATOM 1406 CD1 LEU B 93 12.318 3.342 -0.918 1.00 0.00 C ATOM 1407 CD2 LEU B 93 13.069 1.010 -1.348 1.00 0.00 C ATOM 0 H LEU B 93 12.951 3.785 1.734 1.00 0.00 H new ATOM 0 HA LEU B 93 10.347 2.789 1.227 1.00 0.00 H new ATOM 0 HB2 LEU B 93 13.156 1.691 1.230 1.00 0.00 H new ATOM 0 HB3 LEU B 93 11.804 0.584 1.084 1.00 0.00 H new ATOM 0 HG LEU B 93 11.060 1.627 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU B 93 12.272 3.501 -1.995 1.00 0.00 H new ATOM 0 HD12 LEU B 93 11.561 3.954 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU B 93 13.305 3.624 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU B 93 13.013 1.215 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU B 93 14.074 1.231 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU B 93 12.842 -0.041 -1.168 1.00 0.00 H new ATOM 1419 N ARG B 94 11.450 2.261 4.182 1.00 0.00 N ATOM 1420 CA ARG B 94 11.144 1.656 5.477 1.00 0.00 C ATOM 1421 C ARG B 94 9.770 2.077 5.990 1.00 0.00 C ATOM 1422 O ARG B 94 8.938 1.234 6.323 1.00 0.00 O ATOM 1423 CB ARG B 94 12.208 2.034 6.510 1.00 0.00 C ATOM 1424 CG ARG B 94 13.571 1.419 6.244 1.00 0.00 C ATOM 1425 CD ARG B 94 14.593 1.861 7.279 1.00 0.00 C ATOM 1426 NE ARG B 94 15.912 1.284 7.032 1.00 0.00 N ATOM 1427 CZ ARG B 94 16.167 -0.021 7.064 1.00 0.00 C ATOM 1428 NH1 ARG B 94 15.200 -0.885 7.346 1.00 0.00 N ATOM 1429 NH2 ARG B 94 17.391 -0.463 6.815 1.00 0.00 N ATOM 0 H ARG B 94 12.142 3.009 4.218 1.00 0.00 H new ATOM 0 HA ARG B 94 11.139 0.576 5.333 1.00 0.00 H new ATOM 0 HB2 ARG B 94 12.308 3.119 6.533 1.00 0.00 H new ATOM 0 HB3 ARG B 94 11.867 1.724 7.498 1.00 0.00 H new ATOM 0 HG2 ARG B 94 13.489 0.332 6.253 1.00 0.00 H new ATOM 0 HG3 ARG B 94 13.912 1.705 5.249 1.00 0.00 H new ATOM 0 HD2 ARG B 94 14.667 2.948 7.273 1.00 0.00 H new ATOM 0 HD3 ARG B 94 14.251 1.570 8.272 1.00 0.00 H new ATOM 0 HE ARG B 94 16.682 1.919 6.823 1.00 0.00 H new ATOM 0 HH11 ARG B 94 14.256 -0.549 7.539 1.00 0.00 H new ATOM 0 HH12 ARG B 94 15.400 -1.885 7.369 1.00 0.00 H new ATOM 0 HH21 ARG B 94 18.138 0.197 6.599 1.00 0.00 H new ATOM 0 HH22 ARG B 94 17.587 -1.464 6.840 1.00 0.00 H new ATOM 1443 N ARG B 95 9.546 3.384 6.076 1.00 0.00 N ATOM 1444 CA ARG B 95 8.281 3.914 6.577 1.00 0.00 C ATOM 1445 C ARG B 95 7.153 3.794 5.555 1.00 0.00 C ATOM 1446 O ARG B 95 6.058 3.339 5.886 1.00 0.00 O ATOM 1447 CB ARG B 95 8.450 5.376 6.996 1.00 0.00 C ATOM 1448 CG ARG B 95 9.001 6.264 5.894 1.00 0.00 C ATOM 1449 CD ARG B 95 9.085 7.716 6.334 1.00 0.00 C ATOM 1450 NE ARG B 95 9.936 7.883 7.508 1.00 0.00 N ATOM 1451 CZ ARG B 95 10.178 9.057 8.082 1.00 0.00 C ATOM 1452 NH1 ARG B 95 9.637 10.164 7.589 1.00 0.00 N ATOM 1453 NH2 ARG B 95 10.960 9.126 9.150 1.00 0.00 N ATOM 0 H ARG B 95 10.224 4.097 5.805 1.00 0.00 H new ATOM 0 HA ARG B 95 8.002 3.312 7.442 1.00 0.00 H new ATOM 0 HB2 ARG B 95 7.485 5.767 7.318 1.00 0.00 H new ATOM 0 HB3 ARG B 95 9.116 5.424 7.857 1.00 0.00 H new ATOM 0 HG2 ARG B 95 9.992 5.913 5.605 1.00 0.00 H new ATOM 0 HG3 ARG B 95 8.365 6.187 5.012 1.00 0.00 H new ATOM 0 HD2 ARG B 95 9.474 8.321 5.515 1.00 0.00 H new ATOM 0 HD3 ARG B 95 8.084 8.086 6.556 1.00 0.00 H new ATOM 0 HE ARG B 95 10.369 7.052 7.911 1.00 0.00 H new ATOM 0 HH11 ARG B 95 9.034 10.115 6.768 1.00 0.00 H new ATOM 0 HH12 ARG B 95 9.824 11.064 8.031 1.00 0.00 H new ATOM 0 HH21 ARG B 95 11.377 8.277 9.532 1.00 0.00 H new ATOM 0 HH22 ARG B 95 11.145 10.028 9.589 1.00 0.00 H new ATOM 1467 N TYR B 96 7.409 4.223 4.324 1.00 0.00 N ATOM 1468 CA TYR B 96 6.389 4.179 3.281 1.00 0.00 C ATOM 1469 C TYR B 96 5.919 2.755 2.990 1.00 0.00 C ATOM 1470 O TYR B 96 4.722 2.517 2.869 1.00 0.00 O ATOM 1471 CB TYR B 96 6.891 4.846 1.997 1.00 0.00 C ATOM 1472 CG TYR B 96 7.054 6.347 2.119 1.00 0.00 C ATOM 1473 CD1 TYR B 96 8.139 6.898 2.784 1.00 0.00 C ATOM 1474 CD2 TYR B 96 6.111 7.212 1.581 1.00 0.00 C ATOM 1475 CE1 TYR B 96 8.284 8.266 2.909 1.00 0.00 C ATOM 1476 CE2 TYR B 96 6.248 8.582 1.700 1.00 0.00 C ATOM 1477 CZ TYR B 96 7.336 9.104 2.364 1.00 0.00 C ATOM 1478 OH TYR B 96 7.474 10.467 2.484 1.00 0.00 O ATOM 0 H TYR B 96 8.307 4.603 4.025 1.00 0.00 H new ATOM 0 HA TYR B 96 5.531 4.736 3.656 1.00 0.00 H new ATOM 0 HB2 TYR B 96 7.849 4.406 1.719 1.00 0.00 H new ATOM 0 HB3 TYR B 96 6.194 4.629 1.188 1.00 0.00 H new ATOM 0 HD1 TYR B 96 8.885 6.245 3.212 1.00 0.00 H new ATOM 0 HD2 TYR B 96 5.256 6.807 1.060 1.00 0.00 H new ATOM 0 HE1 TYR B 96 9.136 8.676 3.431 1.00 0.00 H new ATOM 0 HE2 TYR B 96 5.505 9.240 1.274 1.00 0.00 H new ATOM 0 HH TYR B 96 6.720 10.912 2.043 1.00 0.00 H new ATOM 1488 N LEU B 97 6.848 1.812 2.867 1.00 0.00 N ATOM 1489 CA LEU B 97 6.480 0.426 2.575 1.00 0.00 C ATOM 1490 C LEU B 97 5.789 -0.242 3.756 1.00 0.00 C ATOM 1491 O LEU B 97 4.703 -0.804 3.610 1.00 0.00 O ATOM 1492 CB LEU B 97 7.706 -0.384 2.156 1.00 0.00 C ATOM 1493 CG LEU B 97 7.443 -1.854 1.822 1.00 0.00 C ATOM 1494 CD1 LEU B 97 6.127 -2.034 1.078 1.00 0.00 C ATOM 1495 CD2 LEU B 97 8.596 -2.412 1.011 1.00 0.00 C ATOM 0 H LEU B 97 7.850 1.976 2.963 1.00 0.00 H new ATOM 0 HA LEU B 97 5.771 0.452 1.747 1.00 0.00 H new ATOM 0 HB2 LEU B 97 8.155 0.094 1.285 1.00 0.00 H new ATOM 0 HB3 LEU B 97 8.442 -0.338 2.959 1.00 0.00 H new ATOM 0 HG LEU B 97 7.364 -2.406 2.759 1.00 0.00 H new ATOM 0 HD11 LEU B 97 5.975 -3.091 0.858 1.00 0.00 H new ATOM 0 HD12 LEU B 97 5.307 -1.670 1.697 1.00 0.00 H new ATOM 0 HD13 LEU B 97 6.156 -1.470 0.146 1.00 0.00 H new ATOM 0 HD21 LEU B 97 8.403 -3.459 0.776 1.00 0.00 H new ATOM 0 HD22 LEU B 97 8.698 -1.845 0.085 1.00 0.00 H new ATOM 0 HD23 LEU B 97 9.518 -2.334 1.587 1.00 0.00 H new ATOM 1507 N LYS B 98 6.412 -0.182 4.924 1.00 0.00 N ATOM 1508 CA LYS B 98 5.832 -0.787 6.113 1.00 0.00 C ATOM 1509 C LYS B 98 4.422 -0.254 6.332 1.00 0.00 C ATOM 1510 O LYS B 98 3.531 -0.979 6.774 1.00 0.00 O ATOM 1511 CB LYS B 98 6.698 -0.502 7.340 1.00 0.00 C ATOM 1512 CG LYS B 98 6.152 -1.108 8.621 1.00 0.00 C ATOM 1513 CD LYS B 98 7.048 -0.801 9.808 1.00 0.00 C ATOM 1514 CE LYS B 98 6.497 -1.405 11.090 1.00 0.00 C ATOM 1515 NZ LYS B 98 6.364 -2.885 10.994 1.00 0.00 N ATOM 0 H LYS B 98 7.311 0.275 5.073 1.00 0.00 H new ATOM 0 HA LYS B 98 5.787 -1.866 5.967 1.00 0.00 H new ATOM 0 HB2 LYS B 98 7.702 -0.888 7.164 1.00 0.00 H new ATOM 0 HB3 LYS B 98 6.789 0.577 7.468 1.00 0.00 H new ATOM 0 HG2 LYS B 98 5.151 -0.721 8.810 1.00 0.00 H new ATOM 0 HG3 LYS B 98 6.059 -2.188 8.503 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.049 -1.191 9.621 1.00 0.00 H new ATOM 0 HD3 LYS B 98 7.143 0.279 9.924 1.00 0.00 H new ATOM 0 HE2 LYS B 98 7.154 -1.153 11.922 1.00 0.00 H new ATOM 0 HE3 LYS B 98 5.523 -0.966 11.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 6.233 -3.284 11.945 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 5.542 -3.122 10.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 7.224 -3.284 10.566 1.00 0.00 H new ATOM 1529 N ARG B 99 4.237 1.021 6.016 1.00 0.00 N ATOM 1530 CA ARG B 99 2.943 1.670 6.171 1.00 0.00 C ATOM 1531 C ARG B 99 1.998 1.288 5.039 1.00 0.00 C ATOM 1532 O ARG B 99 0.814 1.052 5.265 1.00 0.00 O ATOM 1533 CB ARG B 99 3.110 3.189 6.198 1.00 0.00 C ATOM 1534 CG ARG B 99 1.882 3.928 6.704 1.00 0.00 C ATOM 1535 CD ARG B 99 1.560 3.552 8.141 1.00 0.00 C ATOM 1536 NE ARG B 99 0.399 4.275 8.652 1.00 0.00 N ATOM 1537 CZ ARG B 99 -0.078 4.123 9.883 1.00 0.00 C ATOM 1538 NH1 ARG B 99 0.500 3.276 10.724 1.00 0.00 N ATOM 1539 NH2 ARG B 99 -1.137 4.820 10.276 1.00 0.00 N ATOM 0 H ARG B 99 4.970 1.628 5.649 1.00 0.00 H new ATOM 0 HA ARG B 99 2.515 1.333 7.115 1.00 0.00 H new ATOM 0 HB2 ARG B 99 3.961 3.441 6.830 1.00 0.00 H new ATOM 0 HB3 ARG B 99 3.345 3.538 5.193 1.00 0.00 H new ATOM 0 HG2 ARG B 99 2.049 5.003 6.637 1.00 0.00 H new ATOM 0 HG3 ARG B 99 1.029 3.698 6.066 1.00 0.00 H new ATOM 0 HD2 ARG B 99 1.374 2.480 8.201 1.00 0.00 H new ATOM 0 HD3 ARG B 99 2.424 3.762 8.772 1.00 0.00 H new ATOM 0 HE ARG B 99 -0.072 4.933 8.030 1.00 0.00 H new ATOM 0 HH11 ARG B 99 1.314 2.738 10.427 1.00 0.00 H new ATOM 0 HH12 ARG B 99 0.130 3.163 11.668 1.00 0.00 H new ATOM 0 HH21 ARG B 99 -1.585 5.473 9.633 1.00 0.00 H new ATOM 0 HH22 ARG B 99 -1.503 4.703 11.221 1.00 0.00 H new ATOM 1553 N THR B 100 2.523 1.252 3.817 1.00 0.00 N ATOM 1554 CA THR B 100 1.715 0.925 2.648 1.00 0.00 C ATOM 1555 C THR B 100 1.035 -0.423 2.762 1.00 0.00 C ATOM 1556 O THR B 100 -0.154 -0.526 2.511 1.00 0.00 O ATOM 1557 CB THR B 100 2.525 0.926 1.348 1.00 0.00 C ATOM 1558 OG1 THR B 100 3.776 0.263 1.539 1.00 0.00 O ATOM 1559 CG2 THR B 100 2.752 2.329 0.839 1.00 0.00 C ATOM 0 H THR B 100 3.503 1.445 3.612 1.00 0.00 H new ATOM 0 HA THR B 100 0.964 1.714 2.615 1.00 0.00 H new ATOM 0 HB THR B 100 1.947 0.386 0.598 1.00 0.00 H new ATOM 0 HG1 THR B 100 3.947 -0.337 0.783 1.00 0.00 H new ATOM 0 HG21 THR B 100 3.330 2.292 -0.084 1.00 0.00 H new ATOM 0 HG22 THR B 100 1.791 2.806 0.647 1.00 0.00 H new ATOM 0 HG23 THR B 100 3.299 2.903 1.587 1.00 0.00 H new ATOM 1567 N VAL B 101 1.782 -1.464 3.110 1.00 0.00 N ATOM 1568 CA VAL B 101 1.186 -2.789 3.209 1.00 0.00 C ATOM 1569 C VAL B 101 0.050 -2.795 4.229 1.00 0.00 C ATOM 1570 O VAL B 101 -0.950 -3.486 4.047 1.00 0.00 O ATOM 1571 CB VAL B 101 2.215 -3.890 3.549 1.00 0.00 C ATOM 1572 CG1 VAL B 101 3.420 -3.824 2.624 1.00 0.00 C ATOM 1573 CG2 VAL B 101 2.640 -3.837 5.003 1.00 0.00 C ATOM 0 H VAL B 101 2.778 -1.419 3.324 1.00 0.00 H new ATOM 0 HA VAL B 101 0.787 -3.022 2.222 1.00 0.00 H new ATOM 0 HB VAL B 101 1.722 -4.849 3.390 1.00 0.00 H new ATOM 0 HG11 VAL B 101 4.126 -4.611 2.889 1.00 0.00 H new ATOM 0 HG12 VAL B 101 3.095 -3.960 1.593 1.00 0.00 H new ATOM 0 HG13 VAL B 101 3.905 -2.853 2.727 1.00 0.00 H new ATOM 0 HG21 VAL B 101 3.364 -4.628 5.200 1.00 0.00 H new ATOM 0 HG22 VAL B 101 3.094 -2.869 5.214 1.00 0.00 H new ATOM 0 HG23 VAL B 101 1.768 -3.976 5.642 1.00 0.00 H new ATOM 1583 N THR B 102 0.200 -2.007 5.294 1.00 0.00 N ATOM 1584 CA THR B 102 -0.832 -1.914 6.323 1.00 0.00 C ATOM 1585 C THR B 102 -2.029 -1.119 5.806 1.00 0.00 C ATOM 1586 O THR B 102 -3.175 -1.535 5.961 1.00 0.00 O ATOM 1587 CB THR B 102 -0.301 -1.256 7.610 1.00 0.00 C ATOM 1588 OG1 THR B 102 0.811 -2.004 8.120 1.00 0.00 O ATOM 1589 CG2 THR B 102 -1.394 -1.182 8.668 1.00 0.00 C ATOM 0 H THR B 102 1.022 -1.428 5.465 1.00 0.00 H new ATOM 0 HA THR B 102 -1.140 -2.932 6.562 1.00 0.00 H new ATOM 0 HB THR B 102 0.022 -0.243 7.369 1.00 0.00 H new ATOM 0 HG1 THR B 102 1.638 -1.686 7.702 1.00 0.00 H new ATOM 0 HG21 THR B 102 -0.997 -0.714 9.569 1.00 0.00 H new ATOM 0 HG22 THR B 102 -2.228 -0.591 8.289 1.00 0.00 H new ATOM 0 HG23 THR B 102 -1.740 -2.188 8.904 1.00 0.00 H new ATOM 1597 N GLU B 103 -1.748 0.017 5.170 1.00 0.00 N ATOM 1598 CA GLU B 103 -2.793 0.864 4.597 1.00 0.00 C ATOM 1599 C GLU B 103 -3.505 0.097 3.495 1.00 0.00 C ATOM 1600 O GLU B 103 -4.726 0.130 3.369 1.00 0.00 O ATOM 1601 CB GLU B 103 -2.180 2.145 4.020 1.00 0.00 C ATOM 1602 CG GLU B 103 -1.471 3.008 5.052 1.00 0.00 C ATOM 1603 CD GLU B 103 -2.415 3.580 6.093 1.00 0.00 C ATOM 1604 OE1 GLU B 103 -3.635 3.336 5.991 1.00 0.00 O ATOM 1605 OE2 GLU B 103 -1.932 4.278 7.009 1.00 0.00 O ATOM 0 H GLU B 103 -0.801 0.373 5.038 1.00 0.00 H new ATOM 0 HA GLU B 103 -3.503 1.137 5.377 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -1.471 1.876 3.237 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -2.968 2.733 3.549 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -0.705 2.414 5.551 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -0.959 3.826 4.544 1.00 0.00 H new ATOM 1612 N LEU B 104 -2.696 -0.605 2.720 1.00 0.00 N ATOM 1613 CA LEU B 104 -3.158 -1.430 1.617 1.00 0.00 C ATOM 1614 C LEU B 104 -4.031 -2.557 2.153 1.00 0.00 C ATOM 1615 O LEU B 104 -5.053 -2.907 1.564 1.00 0.00 O ATOM 1616 CB LEU B 104 -1.923 -1.968 0.874 1.00 0.00 C ATOM 1617 CG LEU B 104 -2.162 -2.921 -0.296 1.00 0.00 C ATOM 1618 CD1 LEU B 104 -2.518 -4.310 0.192 1.00 0.00 C ATOM 1619 CD2 LEU B 104 -3.237 -2.383 -1.217 1.00 0.00 C ATOM 0 H LEU B 104 -1.683 -0.618 2.842 1.00 0.00 H new ATOM 0 HA LEU B 104 -3.765 -0.852 0.921 1.00 0.00 H new ATOM 0 HB2 LEU B 104 -1.356 -1.114 0.502 1.00 0.00 H new ATOM 0 HB3 LEU B 104 -1.290 -2.479 1.600 1.00 0.00 H new ATOM 0 HG LEU B 104 -1.233 -2.994 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU B 104 -2.682 -4.965 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU B 104 -1.702 -4.703 0.799 1.00 0.00 H new ATOM 0 HD13 LEU B 104 -3.426 -4.263 0.793 1.00 0.00 H new ATOM 0 HD21 LEU B 104 -3.390 -3.078 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU B 104 -4.168 -2.268 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU B 104 -2.928 -1.415 -1.611 1.00 0.00 H new ATOM 1631 N ASP B 105 -3.619 -3.102 3.291 1.00 0.00 N ATOM 1632 CA ASP B 105 -4.354 -4.175 3.945 1.00 0.00 C ATOM 1633 C ASP B 105 -5.599 -3.616 4.629 1.00 0.00 C ATOM 1634 O ASP B 105 -6.606 -4.307 4.770 1.00 0.00 O ATOM 1635 CB ASP B 105 -3.458 -4.876 4.970 1.00 0.00 C ATOM 1636 CG ASP B 105 -4.111 -6.097 5.590 1.00 0.00 C ATOM 1637 OD1 ASP B 105 -5.241 -6.441 5.184 1.00 0.00 O ATOM 1638 OD2 ASP B 105 -3.487 -6.715 6.478 1.00 0.00 O ATOM 0 H ASP B 105 -2.773 -2.815 3.783 1.00 0.00 H new ATOM 0 HA ASP B 105 -4.663 -4.901 3.193 1.00 0.00 H new ATOM 0 HB2 ASP B 105 -2.527 -5.174 4.487 1.00 0.00 H new ATOM 0 HB3 ASP B 105 -3.196 -4.171 5.759 1.00 0.00 H new ATOM 1643 N SER B 106 -5.514 -2.360 5.058 1.00 0.00 N ATOM 1644 CA SER B 106 -6.624 -1.699 5.736 1.00 0.00 C ATOM 1645 C SER B 106 -7.780 -1.434 4.775 1.00 0.00 C ATOM 1646 O SER B 106 -8.904 -1.873 5.013 1.00 0.00 O ATOM 1647 CB SER B 106 -6.156 -0.382 6.358 1.00 0.00 C ATOM 1648 OG SER B 106 -7.220 0.275 7.025 1.00 0.00 O ATOM 0 H SER B 106 -4.684 -1.778 4.947 1.00 0.00 H new ATOM 0 HA SER B 106 -6.978 -2.365 6.523 1.00 0.00 H new ATOM 0 HB2 SER B 106 -5.347 -0.576 7.062 1.00 0.00 H new ATOM 0 HB3 SER B 106 -5.754 0.268 5.581 1.00 0.00 H new ATOM 0 HG SER B 106 -6.894 1.113 7.415 1.00 0.00 H new ATOM 1654 N VAL B 107 -7.498 -0.719 3.689 1.00 0.00 N ATOM 1655 CA VAL B 107 -8.522 -0.407 2.697 1.00 0.00 C ATOM 1656 C VAL B 107 -9.227 -1.666 2.217 1.00 0.00 C ATOM 1657 O VAL B 107 -10.452 -1.713 2.157 1.00 0.00 O ATOM 1658 CB VAL B 107 -7.936 0.319 1.472 1.00 0.00 C ATOM 1659 CG1 VAL B 107 -7.773 1.802 1.731 1.00 0.00 C ATOM 1660 CG2 VAL B 107 -6.610 -0.296 1.074 1.00 0.00 C ATOM 0 H VAL B 107 -6.573 -0.346 3.474 1.00 0.00 H new ATOM 0 HA VAL B 107 -9.235 0.250 3.194 1.00 0.00 H new ATOM 0 HB VAL B 107 -8.640 0.200 0.649 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -7.357 2.282 0.845 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -8.744 2.240 1.959 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -7.100 1.952 2.575 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -6.211 0.230 0.207 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -5.907 -0.214 1.903 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -6.756 -1.347 0.825 1.00 0.00 H new ATOM 1670 N THR B 108 -8.445 -2.683 1.869 1.00 0.00 N ATOM 1671 CA THR B 108 -9.001 -3.942 1.388 1.00 0.00 C ATOM 1672 C THR B 108 -9.793 -4.648 2.484 1.00 0.00 C ATOM 1673 O THR B 108 -10.816 -5.279 2.217 1.00 0.00 O ATOM 1674 CB THR B 108 -7.897 -4.885 0.866 1.00 0.00 C ATOM 1675 OG1 THR B 108 -8.487 -6.057 0.293 1.00 0.00 O ATOM 1676 CG2 THR B 108 -6.950 -5.289 1.984 1.00 0.00 C ATOM 0 H THR B 108 -7.426 -2.660 1.911 1.00 0.00 H new ATOM 0 HA THR B 108 -9.671 -3.698 0.564 1.00 0.00 H new ATOM 0 HB THR B 108 -7.327 -4.351 0.105 1.00 0.00 H new ATOM 0 HG1 THR B 108 -7.781 -6.650 -0.038 1.00 0.00 H new ATOM 0 HG21 THR B 108 -6.182 -5.953 1.588 1.00 0.00 H new ATOM 0 HG22 THR B 108 -6.479 -4.399 2.402 1.00 0.00 H new ATOM 0 HG23 THR B 108 -7.508 -5.805 2.765 1.00 0.00 H new ATOM 1684 N ALA B 109 -9.309 -4.541 3.719 1.00 0.00 N ATOM 1685 CA ALA B 109 -9.966 -5.171 4.860 1.00 0.00 C ATOM 1686 C ALA B 109 -11.369 -4.611 5.074 1.00 0.00 C ATOM 1687 O ALA B 109 -12.314 -5.360 5.312 1.00 0.00 O ATOM 1688 CB ALA B 109 -9.130 -4.985 6.117 1.00 0.00 C ATOM 0 H ALA B 109 -8.463 -4.023 3.955 1.00 0.00 H new ATOM 0 HA ALA B 109 -10.059 -6.236 4.646 1.00 0.00 H new ATOM 0 HB1 ALA B 109 -9.631 -5.459 6.961 1.00 0.00 H new ATOM 0 HB2 ALA B 109 -8.151 -5.441 5.973 1.00 0.00 H new ATOM 0 HB3 ALA B 109 -9.008 -3.921 6.319 1.00 0.00 H new ATOM 1694 N ARG B 110 -11.494 -3.292 4.997 1.00 0.00 N ATOM 1695 CA ARG B 110 -12.781 -2.632 5.188 1.00 0.00 C ATOM 1696 C ARG B 110 -13.600 -2.630 3.901 1.00 0.00 C ATOM 1697 O ARG B 110 -14.828 -2.625 3.943 1.00 0.00 O ATOM 1698 CB ARG B 110 -12.585 -1.195 5.685 1.00 0.00 C ATOM 1699 CG ARG B 110 -12.101 -1.099 7.127 1.00 0.00 C ATOM 1700 CD ARG B 110 -10.716 -1.700 7.303 1.00 0.00 C ATOM 1701 NE ARG B 110 -10.255 -1.631 8.687 1.00 0.00 N ATOM 1702 CZ ARG B 110 -10.849 -2.260 9.698 1.00 0.00 C ATOM 1703 NH1 ARG B 110 -11.919 -3.014 9.481 1.00 0.00 N ATOM 1704 NH2 ARG B 110 -10.370 -2.139 10.928 1.00 0.00 N ATOM 0 H ARG B 110 -10.720 -2.657 4.803 1.00 0.00 H new ATOM 0 HA ARG B 110 -13.330 -3.196 5.942 1.00 0.00 H new ATOM 0 HB2 ARG B 110 -11.867 -0.692 5.037 1.00 0.00 H new ATOM 0 HB3 ARG B 110 -13.529 -0.657 5.593 1.00 0.00 H new ATOM 0 HG2 ARG B 110 -12.085 -0.054 7.435 1.00 0.00 H new ATOM 0 HG3 ARG B 110 -12.805 -1.613 7.781 1.00 0.00 H new ATOM 0 HD2 ARG B 110 -10.730 -2.740 6.978 1.00 0.00 H new ATOM 0 HD3 ARG B 110 -10.010 -1.175 6.660 1.00 0.00 H new ATOM 0 HE ARG B 110 -9.429 -1.068 8.891 1.00 0.00 H new ATOM 0 HH11 ARG B 110 -12.290 -3.113 8.536 1.00 0.00 H new ATOM 0 HH12 ARG B 110 -12.371 -3.494 10.259 1.00 0.00 H new ATOM 0 HH21 ARG B 110 -9.546 -1.563 11.100 1.00 0.00 H new ATOM 0 HH22 ARG B 110 -10.826 -2.621 11.703 1.00 0.00 H new ATOM 1718 N LEU B 111 -12.912 -2.620 2.764 1.00 0.00 N ATOM 1719 CA LEU B 111 -13.574 -2.602 1.460 1.00 0.00 C ATOM 1720 C LEU B 111 -14.572 -3.747 1.314 1.00 0.00 C ATOM 1721 O LEU B 111 -15.663 -3.559 0.774 1.00 0.00 O ATOM 1722 CB LEU B 111 -12.534 -2.654 0.336 1.00 0.00 C ATOM 1723 CG LEU B 111 -13.104 -2.758 -1.083 1.00 0.00 C ATOM 1724 CD1 LEU B 111 -14.078 -1.624 -1.348 1.00 0.00 C ATOM 1725 CD2 LEU B 111 -11.983 -2.746 -2.111 1.00 0.00 C ATOM 0 H LEU B 111 -11.893 -2.624 2.717 1.00 0.00 H new ATOM 0 HA LEU B 111 -14.133 -1.669 1.387 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -11.914 -1.759 0.396 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -11.879 -3.508 0.510 1.00 0.00 H new ATOM 0 HG LEU B 111 -13.641 -3.703 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -14.473 -1.713 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -14.898 -1.674 -0.632 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -13.562 -0.669 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -12.407 -2.821 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -11.419 -1.817 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -11.318 -3.592 -1.934 1.00 0.00 H new ATOM 1737 N ARG B 112 -14.201 -4.928 1.795 1.00 0.00 N ATOM 1738 CA ARG B 112 -15.079 -6.090 1.711 1.00 0.00 C ATOM 1739 C ARG B 112 -16.419 -5.807 2.387 1.00 0.00 C ATOM 1740 O ARG B 112 -17.470 -6.227 1.905 1.00 0.00 O ATOM 1741 CB ARG B 112 -14.414 -7.311 2.350 1.00 0.00 C ATOM 1742 CG ARG B 112 -14.068 -7.119 3.817 1.00 0.00 C ATOM 1743 CD ARG B 112 -13.440 -8.368 4.413 1.00 0.00 C ATOM 1744 NE ARG B 112 -12.208 -8.746 3.727 1.00 0.00 N ATOM 1745 CZ ARG B 112 -11.464 -9.794 4.071 1.00 0.00 C ATOM 1746 NH1 ARG B 112 -11.825 -10.561 5.092 1.00 0.00 N ATOM 1747 NH2 ARG B 112 -10.359 -10.075 3.395 1.00 0.00 N ATOM 0 H ARG B 112 -13.303 -5.106 2.245 1.00 0.00 H new ATOM 0 HA ARG B 112 -15.262 -6.301 0.657 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -15.079 -8.169 2.252 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -13.504 -7.548 1.799 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -13.380 -6.280 3.922 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -14.970 -6.864 4.374 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -13.229 -8.198 5.469 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -14.152 -9.192 4.359 1.00 0.00 H new ATOM 0 HE ARG B 112 -11.900 -8.175 2.940 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -12.674 -10.348 5.615 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -11.253 -11.364 5.354 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -10.078 -9.487 2.610 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -9.790 -10.879 3.660 1.00 0.00 H new ATOM 1761 N GLU B 113 -16.371 -5.092 3.508 1.00 0.00 N ATOM 1762 CA GLU B 113 -17.577 -4.751 4.257 1.00 0.00 C ATOM 1763 C GLU B 113 -18.268 -3.520 3.669 1.00 0.00 C ATOM 1764 O GLU B 113 -19.496 -3.454 3.618 1.00 0.00 O ATOM 1765 CB GLU B 113 -17.234 -4.504 5.727 1.00 0.00 C ATOM 1766 CG GLU B 113 -18.439 -4.161 6.587 1.00 0.00 C ATOM 1767 CD GLU B 113 -18.076 -3.951 8.044 1.00 0.00 C ATOM 1768 OE1 GLU B 113 -17.556 -4.898 8.669 1.00 0.00 O ATOM 1769 OE2 GLU B 113 -18.312 -2.837 8.560 1.00 0.00 O ATOM 0 H GLU B 113 -15.507 -4.737 3.918 1.00 0.00 H new ATOM 0 HA GLU B 113 -18.265 -5.593 4.184 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -16.751 -5.393 6.132 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -16.511 -3.691 5.790 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -18.911 -3.258 6.200 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -19.174 -4.962 6.512 1.00 0.00 H new ATOM 1776 N VAL B 114 -17.471 -2.548 3.235 1.00 0.00 N ATOM 1777 CA VAL B 114 -17.994 -1.313 2.658 1.00 0.00 C ATOM 1778 C VAL B 114 -19.016 -1.590 1.560 1.00 0.00 C ATOM 1779 O VAL B 114 -20.059 -0.942 1.499 1.00 0.00 O ATOM 1780 CB VAL B 114 -16.848 -0.429 2.115 1.00 0.00 C ATOM 1781 CG1 VAL B 114 -17.259 0.354 0.883 1.00 0.00 C ATOM 1782 CG2 VAL B 114 -16.365 0.525 3.188 1.00 0.00 C ATOM 0 H VAL B 114 -16.453 -2.593 3.272 1.00 0.00 H new ATOM 0 HA VAL B 114 -18.502 -0.774 3.458 1.00 0.00 H new ATOM 0 HB VAL B 114 -16.038 -1.099 1.826 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -16.420 0.959 0.540 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -17.554 -0.338 0.094 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -18.099 1.004 1.128 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -15.558 1.141 2.791 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -17.189 1.165 3.503 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -16.000 -0.044 4.043 1.00 0.00 H new ATOM 1792 N GLU B 115 -18.722 -2.553 0.698 1.00 0.00 N ATOM 1793 CA GLU B 115 -19.636 -2.900 -0.383 1.00 0.00 C ATOM 1794 C GLU B 115 -20.912 -3.533 0.170 1.00 0.00 C ATOM 1795 O GLU B 115 -22.004 -3.309 -0.350 1.00 0.00 O ATOM 1796 CB GLU B 115 -18.963 -3.855 -1.369 1.00 0.00 C ATOM 1797 CG GLU B 115 -18.499 -5.157 -0.735 1.00 0.00 C ATOM 1798 CD GLU B 115 -17.805 -6.075 -1.722 1.00 0.00 C ATOM 1799 OE1 GLU B 115 -16.782 -5.657 -2.304 1.00 0.00 O ATOM 1800 OE2 GLU B 115 -18.282 -7.214 -1.909 1.00 0.00 O ATOM 0 H GLU B 115 -17.865 -3.105 0.724 1.00 0.00 H new ATOM 0 HA GLU B 115 -19.902 -1.983 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU B 115 -19.660 -4.082 -2.176 1.00 0.00 H new ATOM 0 HB3 GLU B 115 -18.106 -3.354 -1.819 1.00 0.00 H new ATOM 0 HG2 GLU B 115 -17.819 -4.934 0.087 1.00 0.00 H new ATOM 0 HG3 GLU B 115 -19.358 -5.674 -0.307 1.00 0.00 H new ATOM 1807 N HIS B 116 -20.758 -4.331 1.223 1.00 0.00 N ATOM 1808 CA HIS B 116 -21.890 -5.009 1.846 1.00 0.00 C ATOM 1809 C HIS B 116 -22.804 -4.024 2.576 1.00 0.00 C ATOM 1810 O HIS B 116 -23.946 -3.806 2.170 1.00 0.00 O ATOM 1811 CB HIS B 116 -21.384 -6.069 2.826 1.00 0.00 C ATOM 1812 CG HIS B 116 -22.476 -6.855 3.482 1.00 0.00 C ATOM 1813 ND1 HIS B 116 -23.351 -7.658 2.782 1.00 0.00 N ATOM 1814 CD2 HIS B 116 -22.832 -6.958 4.784 1.00 0.00 C ATOM 1815 CE1 HIS B 116 -24.198 -8.221 3.624 1.00 0.00 C ATOM 1816 NE2 HIS B 116 -23.905 -7.813 4.845 1.00 0.00 N ATOM 0 H HIS B 116 -19.858 -4.524 1.663 1.00 0.00 H new ATOM 0 HA HIS B 116 -22.472 -5.484 1.056 1.00 0.00 H new ATOM 0 HB2 HIS B 116 -20.723 -6.755 2.296 1.00 0.00 H new ATOM 0 HB3 HIS B 116 -20.786 -5.582 3.596 1.00 0.00 H new ATOM 0 HD2 HIS B 116 -22.360 -6.461 5.619 1.00 0.00 H new ATOM 0 HE1 HIS B 116 -24.995 -8.900 3.359 1.00 0.00 H new ATOM 0 HE2 HIS B 116 -24.396 -8.088 5.696 1.00 0.00 H new ATOM 1825 N ARG B 117 -22.298 -3.441 3.660 1.00 0.00 N ATOM 1826 CA ARG B 117 -23.072 -2.490 4.455 1.00 0.00 C ATOM 1827 C ARG B 117 -23.337 -1.201 3.685 1.00 0.00 C ATOM 1828 O ARG B 117 -24.464 -0.703 3.663 1.00 0.00 O ATOM 1829 CB ARG B 117 -22.341 -2.172 5.761 1.00 0.00 C ATOM 1830 CG ARG B 117 -22.171 -3.376 6.672 1.00 0.00 C ATOM 1831 CD ARG B 117 -21.441 -3.007 7.955 1.00 0.00 C ATOM 1832 NE ARG B 117 -22.135 -1.961 8.702 1.00 0.00 N ATOM 1833 CZ ARG B 117 -23.357 -2.099 9.212 1.00 0.00 C ATOM 1834 NH1 ARG B 117 -24.017 -3.241 9.068 1.00 0.00 N ATOM 1835 NH2 ARG B 117 -23.917 -1.096 9.873 1.00 0.00 N ATOM 0 H ARG B 117 -21.355 -3.610 4.009 1.00 0.00 H new ATOM 0 HA ARG B 117 -24.032 -2.954 4.680 1.00 0.00 H new ATOM 0 HB2 ARG B 117 -21.358 -1.762 5.527 1.00 0.00 H new ATOM 0 HB3 ARG B 117 -22.890 -1.397 6.296 1.00 0.00 H new ATOM 0 HG2 ARG B 117 -23.149 -3.790 6.915 1.00 0.00 H new ATOM 0 HG3 ARG B 117 -21.617 -4.155 6.148 1.00 0.00 H new ATOM 0 HD2 ARG B 117 -21.340 -3.893 8.582 1.00 0.00 H new ATOM 0 HD3 ARG B 117 -20.433 -2.671 7.714 1.00 0.00 H new ATOM 0 HE ARG B 117 -21.655 -1.072 8.841 1.00 0.00 H new ATOM 0 HH11 ARG B 117 -23.588 -4.018 8.565 1.00 0.00 H new ATOM 0 HH12 ARG B 117 -24.953 -3.342 9.460 1.00 0.00 H new ATOM 0 HH21 ARG B 117 -23.412 -0.218 9.991 1.00 0.00 H new ATOM 0 HH22 ARG B 117 -24.853 -1.202 10.264 1.00 0.00 H new ATOM 1849 N ALA B 118 -22.294 -0.665 3.060 1.00 0.00 N ATOM 1850 CA ALA B 118 -22.412 0.570 2.292 1.00 0.00 C ATOM 1851 C ALA B 118 -22.819 1.739 3.188 1.00 0.00 C ATOM 1852 O ALA B 118 -22.372 1.837 4.331 1.00 0.00 O ATOM 1853 CB ALA B 118 -23.409 0.388 1.155 1.00 0.00 C ATOM 0 H ALA B 118 -21.356 -1.067 3.070 1.00 0.00 H new ATOM 0 HA ALA B 118 -21.436 0.803 1.867 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -23.489 1.316 0.589 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -23.068 -0.411 0.496 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -24.385 0.128 1.565 1.00 0.00 H new ATOM 1859 N GLY B 119 -23.665 2.623 2.665 1.00 0.00 N ATOM 1860 CA GLY B 119 -24.109 3.770 3.436 1.00 0.00 C ATOM 1861 C GLY B 119 -25.028 4.678 2.642 1.00 0.00 C ATOM 1862 O GLY B 119 -24.761 4.977 1.478 1.00 0.00 O ATOM 0 H GLY B 119 -24.050 2.565 1.722 1.00 0.00 H new ATOM 0 HA2 GLY B 119 -24.628 3.425 4.330 1.00 0.00 H new ATOM 0 HA3 GLY B 119 -23.241 4.338 3.770 1.00 0.00 H new ATOM 1866 N GLU B 120 -26.113 5.117 3.273 1.00 0.00 N ATOM 1867 CA GLU B 120 -27.075 5.997 2.619 1.00 0.00 C ATOM 1868 C GLU B 120 -26.415 7.303 2.190 1.00 0.00 C ATOM 1869 O GLU B 120 -26.867 7.892 1.186 1.00 0.00 O ATOM 1870 CB GLU B 120 -28.250 6.289 3.554 1.00 0.00 C ATOM 1871 CG GLU B 120 -29.010 5.046 3.993 1.00 0.00 C ATOM 1872 CD GLU B 120 -29.676 4.318 2.839 1.00 0.00 C ATOM 1873 OE1 GLU B 120 -29.542 4.777 1.685 1.00 0.00 O ATOM 1874 OE2 GLU B 120 -30.335 3.288 3.090 1.00 0.00 O ATOM 1875 OXT GLU B 120 -25.452 7.727 2.863 1.00 0.00 O ATOM 0 H GLU B 120 -26.348 4.878 4.236 1.00 0.00 H new ATOM 0 HA GLU B 120 -27.446 5.489 1.729 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -27.878 6.807 4.438 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -28.941 6.968 3.053 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -28.323 4.366 4.496 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -29.769 5.330 4.722 1.00 0.00 H new TER 1882 GLU B 120