USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1005 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 MET CE :methyl 152:sc= 0 (180deg=-0.0159) USER MOD Set 1.2: A 120 HIS : no HE2:sc= -1.92 X(o=-1.9,f=-2.3) USER MOD Set 2.1: A 83 LYS NZ :NH3+ -148:sc= -0.0425 (180deg=-0.925) USER MOD Set 2.2: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 65 THR OG1 : rot 110:sc= -0.308 USER MOD Set 3.2: A 66 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 50 GLN : amide:sc= -5.06! C(o=-4.2!,f=-2.8!) USER MOD Set 4.2: A 52 THR OG1 : rot 82:sc= 0.859 USER MOD Set 5.1: A 32 SER OG : rot 100:sc= -2.74! USER MOD Set 5.2: A 34 LYS NZ :NH3+ -177:sc= 0.476 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.69 K(o=-0.69,f=-4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= -1.36 (180deg=-1.64) USER MOD Single : A 31 MET CE :methyl 172:sc= -0.0161 (180deg=-0.226) USER MOD Single : A 36 THR OG1 : rot 59:sc= -0.062! USER MOD Single : A 37 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 42 LYS NZ :NH3+ -151:sc= -0.0677 (180deg=-0.569) USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.0437 (180deg=-0.338) USER MOD Single : A 48 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 55 SER OG : rot 180:sc= -0.419 USER MOD Single : A 58 HIS : no HD1:sc= -1.64! C(o=-1.6!,f=-6.9!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 80 CYS SG : rot -48:sc= 0.631 USER MOD Single : A 87 GLN : amide:sc= -5.19! C(o=-5.2!,f=-4.9!) USER MOD Single : A 88 CYS SG : rot 180:sc= -0.17 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 152:sc= 0.749 (180deg=0.292) USER MOD Single : A 110 GLN : amide:sc= -3.8! C(o=-3.8!,f=-6.6!) USER MOD Single : A 113 LYS NZ :NH3+ -165:sc= -0.0239 (180deg=-0.443) USER MOD Single : A 114 THR OG1 : rot -1:sc= 0.74 USER MOD Single : A 116 GLN : amide:sc= -0.69 K(o=-0.69,f=0) USER MOD Single : A 121 CYS SG : rot 94:sc= 1.11 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.8!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.0476 K(o=-0.048,f=-1.8!) USER MOD Single : A 130 ASN : amide:sc= -0.0578 K(o=-0.058,f=-2.1!) USER MOD Single : B 940 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : B 950 TYR OH : rot -65:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 20 103.768 0.737 16.556 1.00 0.00 N ATOM 2 CA ASN A 20 102.711 -0.247 16.922 1.00 0.00 C ATOM 3 C ASN A 20 101.341 0.415 16.810 1.00 0.00 C ATOM 4 O ASN A 20 100.323 -0.182 17.158 1.00 0.00 O ATOM 5 CB ASN A 20 102.942 -0.727 18.357 1.00 0.00 C ATOM 6 CG ASN A 20 103.114 0.469 19.288 1.00 0.00 C ATOM 7 OD1 ASN A 20 102.335 1.419 19.228 1.00 0.00 O ATOM 8 ND2 ASN A 20 104.094 0.477 20.151 1.00 0.00 N ATOM 0 HA ASN A 20 102.752 -1.101 16.246 1.00 0.00 H new ATOM 0 HB2 ASN A 20 102.099 -1.335 18.685 1.00 0.00 H new ATOM 0 HB3 ASN A 20 103.828 -1.361 18.399 1.00 0.00 H new ATOM 0 HD21 ASN A 20 104.215 1.273 20.778 1.00 0.00 H new ATOM 0 HD22 ASN A 20 104.738 -0.312 20.198 1.00 0.00 H new ATOM 17 N LYS A 21 101.327 1.654 16.333 1.00 0.00 N ATOM 18 CA LYS A 21 100.077 2.390 16.187 1.00 0.00 C ATOM 19 C LYS A 21 99.186 1.732 15.140 1.00 0.00 C ATOM 20 O LYS A 21 97.967 1.665 15.300 1.00 0.00 O ATOM 21 CB LYS A 21 100.373 3.833 15.770 1.00 0.00 C ATOM 22 CG LYS A 21 101.131 4.547 16.894 1.00 0.00 C ATOM 23 CD LYS A 21 100.144 5.111 17.919 1.00 0.00 C ATOM 24 CE LYS A 21 100.905 5.894 18.985 1.00 0.00 C ATOM 25 NZ LYS A 21 99.948 6.386 20.015 1.00 0.00 N ATOM 0 H LYS A 21 102.160 2.167 16.043 1.00 0.00 H new ATOM 0 HA LYS A 21 99.557 2.383 17.145 1.00 0.00 H new ATOM 0 HB2 LYS A 21 100.965 3.844 14.855 1.00 0.00 H new ATOM 0 HB3 LYS A 21 99.443 4.358 15.554 1.00 0.00 H new ATOM 0 HG2 LYS A 21 101.815 3.852 17.381 1.00 0.00 H new ATOM 0 HG3 LYS A 21 101.737 5.353 16.480 1.00 0.00 H new ATOM 0 HD2 LYS A 21 99.421 5.759 17.424 1.00 0.00 H new ATOM 0 HD3 LYS A 21 99.581 4.300 18.381 1.00 0.00 H new ATOM 0 HE2 LYS A 21 101.660 5.259 19.448 1.00 0.00 H new ATOM 0 HE3 LYS A 21 101.430 6.734 18.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 100.465 6.920 20.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 99.243 7.005 19.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 99.467 5.577 20.456 1.00 0.00 H new ATOM 39 N TYR A 22 99.802 1.252 14.064 1.00 0.00 N ATOM 40 CA TYR A 22 99.050 0.610 12.989 1.00 0.00 C ATOM 41 C TYR A 22 98.696 -0.824 13.372 1.00 0.00 C ATOM 42 O TYR A 22 99.579 -1.634 13.661 1.00 0.00 O ATOM 43 CB TYR A 22 99.881 0.603 11.705 1.00 0.00 C ATOM 44 CG TYR A 22 100.227 2.024 11.322 1.00 0.00 C ATOM 45 CD1 TYR A 22 101.533 2.499 11.501 1.00 0.00 C ATOM 46 CD2 TYR A 22 99.243 2.867 10.794 1.00 0.00 C ATOM 47 CE1 TYR A 22 101.853 3.815 11.149 1.00 0.00 C ATOM 48 CE2 TYR A 22 99.564 4.184 10.441 1.00 0.00 C ATOM 49 CZ TYR A 22 100.870 4.658 10.619 1.00 0.00 C ATOM 50 OH TYR A 22 101.185 5.955 10.272 1.00 0.00 O ATOM 0 H TYR A 22 100.810 1.294 13.913 1.00 0.00 H new ATOM 0 HA TYR A 22 98.130 1.172 12.825 1.00 0.00 H new ATOM 0 HB2 TYR A 22 100.792 0.022 11.852 1.00 0.00 H new ATOM 0 HB3 TYR A 22 99.323 0.124 10.901 1.00 0.00 H new ATOM 0 HD1 TYR A 22 102.293 1.850 11.911 1.00 0.00 H new ATOM 0 HD2 TYR A 22 98.236 2.502 10.659 1.00 0.00 H new ATOM 0 HE1 TYR A 22 102.860 4.180 11.287 1.00 0.00 H new ATOM 0 HE2 TYR A 22 98.805 4.834 10.032 1.00 0.00 H new ATOM 0 HH TYR A 22 100.388 6.402 9.919 1.00 0.00 H new ATOM 60 N LEU A 23 97.399 -1.131 13.364 1.00 0.00 N ATOM 61 CA LEU A 23 96.945 -2.473 13.706 1.00 0.00 C ATOM 62 C LEU A 23 96.583 -3.252 12.451 1.00 0.00 C ATOM 63 O LEU A 23 97.212 -4.263 12.140 1.00 0.00 O ATOM 64 CB LEU A 23 95.726 -2.387 14.628 1.00 0.00 C ATOM 65 CG LEU A 23 96.141 -2.712 16.062 1.00 0.00 C ATOM 66 CD1 LEU A 23 96.583 -4.175 16.154 1.00 0.00 C ATOM 67 CD2 LEU A 23 97.303 -1.801 16.476 1.00 0.00 C ATOM 0 H LEU A 23 96.654 -0.476 13.127 1.00 0.00 H new ATOM 0 HA LEU A 23 97.754 -2.993 14.218 1.00 0.00 H new ATOM 0 HB2 LEU A 23 95.293 -1.388 14.582 1.00 0.00 H new ATOM 0 HB3 LEU A 23 94.956 -3.083 14.295 1.00 0.00 H new ATOM 0 HG LEU A 23 95.293 -2.549 16.728 1.00 0.00 H new ATOM 0 HD11 LEU A 23 96.878 -4.402 17.178 1.00 0.00 H new ATOM 0 HD12 LEU A 23 95.757 -4.824 15.862 1.00 0.00 H new ATOM 0 HD13 LEU A 23 97.429 -4.342 15.487 1.00 0.00 H new ATOM 0 HD21 LEU A 23 97.600 -2.032 17.499 1.00 0.00 H new ATOM 0 HD22 LEU A 23 98.148 -1.963 15.807 1.00 0.00 H new ATOM 0 HD23 LEU A 23 96.988 -0.759 16.416 1.00 0.00 H new ATOM 79 N VAL A 24 95.582 -2.764 11.731 1.00 0.00 N ATOM 80 CA VAL A 24 95.155 -3.416 10.491 1.00 0.00 C ATOM 81 C VAL A 24 95.166 -2.417 9.338 1.00 0.00 C ATOM 82 O VAL A 24 94.500 -1.386 9.390 1.00 0.00 O ATOM 83 CB VAL A 24 93.755 -3.997 10.658 1.00 0.00 C ATOM 84 CG1 VAL A 24 93.312 -4.655 9.352 1.00 0.00 C ATOM 85 CG2 VAL A 24 93.768 -5.044 11.777 1.00 0.00 C ATOM 0 H VAL A 24 95.052 -1.928 11.977 1.00 0.00 H new ATOM 0 HA VAL A 24 95.851 -4.224 10.266 1.00 0.00 H new ATOM 0 HB VAL A 24 93.060 -3.197 10.913 1.00 0.00 H new ATOM 0 HG11 VAL A 24 92.311 -5.069 9.474 1.00 0.00 H new ATOM 0 HG12 VAL A 24 93.302 -3.911 8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 24 94.006 -5.454 9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 24 92.768 -5.460 11.898 1.00 0.00 H new ATOM 0 HG22 VAL A 24 94.465 -5.842 11.520 1.00 0.00 H new ATOM 0 HG23 VAL A 24 94.081 -4.575 12.710 1.00 0.00 H new ATOM 95 N GLU A 25 95.923 -2.735 8.297 1.00 0.00 N ATOM 96 CA GLU A 25 96.016 -1.857 7.132 1.00 0.00 C ATOM 97 C GLU A 25 96.270 -2.669 5.864 1.00 0.00 C ATOM 98 O GLU A 25 97.174 -3.502 5.818 1.00 0.00 O ATOM 99 CB GLU A 25 97.150 -0.846 7.340 1.00 0.00 C ATOM 100 CG GLU A 25 98.489 -1.585 7.391 1.00 0.00 C ATOM 101 CD GLU A 25 99.573 -0.659 7.928 1.00 0.00 C ATOM 102 OE1 GLU A 25 99.251 0.471 8.255 1.00 0.00 O ATOM 103 OE2 GLU A 25 100.710 -1.095 8.008 1.00 0.00 O ATOM 0 H GLU A 25 96.479 -3.588 8.232 1.00 0.00 H new ATOM 0 HA GLU A 25 95.071 -1.326 7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 25 97.155 -0.117 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 25 96.993 -0.292 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 25 98.404 -2.466 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 25 98.759 -1.936 6.395 1.00 0.00 H new ATOM 110 N PHE A 26 95.460 -2.423 4.843 1.00 0.00 N ATOM 111 CA PHE A 26 95.597 -3.136 3.579 1.00 0.00 C ATOM 112 C PHE A 26 95.035 -2.312 2.426 1.00 0.00 C ATOM 113 O PHE A 26 94.351 -1.314 2.638 1.00 0.00 O ATOM 114 CB PHE A 26 94.876 -4.482 3.655 1.00 0.00 C ATOM 115 CG PHE A 26 95.680 -5.443 4.497 1.00 0.00 C ATOM 116 CD1 PHE A 26 95.433 -5.553 5.869 1.00 0.00 C ATOM 117 CD2 PHE A 26 96.676 -6.227 3.900 1.00 0.00 C ATOM 118 CE1 PHE A 26 96.181 -6.447 6.646 1.00 0.00 C ATOM 119 CE2 PHE A 26 97.424 -7.120 4.676 1.00 0.00 C ATOM 120 CZ PHE A 26 97.176 -7.231 6.049 1.00 0.00 C ATOM 0 H PHE A 26 94.704 -1.738 4.864 1.00 0.00 H new ATOM 0 HA PHE A 26 96.658 -3.305 3.397 1.00 0.00 H new ATOM 0 HB2 PHE A 26 93.883 -4.350 4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 26 94.738 -4.889 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 26 94.666 -4.949 6.330 1.00 0.00 H new ATOM 0 HD2 PHE A 26 96.867 -6.142 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 26 95.990 -6.532 7.706 1.00 0.00 H new ATOM 0 HE2 PHE A 26 98.192 -7.723 4.215 1.00 0.00 H new ATOM 0 HZ PHE A 26 97.752 -7.921 6.648 1.00 0.00 H new ATOM 130 N ARG A 27 95.323 -2.740 1.203 1.00 0.00 N ATOM 131 CA ARG A 27 94.837 -2.037 0.024 1.00 0.00 C ATOM 132 C ARG A 27 93.439 -2.523 -0.352 1.00 0.00 C ATOM 133 O ARG A 27 93.046 -3.638 -0.009 1.00 0.00 O ATOM 134 CB ARG A 27 95.790 -2.263 -1.153 1.00 0.00 C ATOM 135 CG ARG A 27 97.228 -2.017 -0.698 1.00 0.00 C ATOM 136 CD ARG A 27 97.920 -3.358 -0.442 1.00 0.00 C ATOM 137 NE ARG A 27 99.229 -3.143 0.163 1.00 0.00 N ATOM 138 CZ ARG A 27 100.304 -2.917 -0.585 1.00 0.00 C ATOM 139 NH1 ARG A 27 101.464 -2.728 -0.018 1.00 0.00 N ATOM 140 NH2 ARG A 27 100.199 -2.884 -1.885 1.00 0.00 N ATOM 0 H ARG A 27 95.887 -3.566 1.003 1.00 0.00 H new ATOM 0 HA ARG A 27 94.791 -0.973 0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 27 95.685 -3.281 -1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 27 95.537 -1.592 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 27 97.770 -1.456 -1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 27 97.235 -1.413 0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 27 97.305 -3.973 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 27 98.030 -3.903 -1.379 1.00 0.00 H new ATOM 0 HE ARG A 27 99.321 -3.166 1.179 1.00 0.00 H new ATOM 0 HH11 ARG A 27 101.545 -2.754 0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 27 102.290 -2.554 -0.591 1.00 0.00 H new ATOM 0 HH21 ARG A 27 99.292 -3.032 -2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 27 101.024 -2.711 -2.459 1.00 0.00 H new ATOM 154 N ALA A 28 92.693 -1.681 -1.058 1.00 0.00 N ATOM 155 CA ALA A 28 91.344 -2.038 -1.478 1.00 0.00 C ATOM 156 C ALA A 28 90.938 -1.240 -2.711 1.00 0.00 C ATOM 157 O ALA A 28 91.306 -0.076 -2.861 1.00 0.00 O ATOM 158 CB ALA A 28 90.356 -1.765 -0.344 1.00 0.00 C ATOM 0 H ALA A 28 92.997 -0.752 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 28 91.330 -3.099 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 28 89.350 -2.034 -0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 28 90.630 -2.359 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 28 90.383 -0.707 -0.085 1.00 0.00 H new ATOM 164 N GLY A 29 90.177 -1.878 -3.589 1.00 0.00 N ATOM 165 CA GLY A 29 89.718 -1.216 -4.814 1.00 0.00 C ATOM 166 C GLY A 29 88.227 -0.908 -4.746 1.00 0.00 C ATOM 167 O GLY A 29 87.452 -1.669 -4.171 1.00 0.00 O ATOM 0 H GLY A 29 89.864 -2.843 -3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 29 90.277 -0.292 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 29 89.922 -1.854 -5.674 1.00 0.00 H new ATOM 171 N LYS A 30 87.832 0.209 -5.345 1.00 0.00 N ATOM 172 CA LYS A 30 86.428 0.603 -5.357 1.00 0.00 C ATOM 173 C LYS A 30 85.739 0.088 -6.615 1.00 0.00 C ATOM 174 O LYS A 30 86.342 -0.639 -7.408 1.00 0.00 O ATOM 175 CB LYS A 30 86.314 2.129 -5.298 1.00 0.00 C ATOM 176 CG LYS A 30 86.212 2.576 -3.838 1.00 0.00 C ATOM 177 CD LYS A 30 84.750 2.524 -3.387 1.00 0.00 C ATOM 178 CE LYS A 30 84.128 3.917 -3.524 1.00 0.00 C ATOM 179 NZ LYS A 30 84.435 4.468 -4.873 1.00 0.00 N ATOM 0 H LYS A 30 88.459 0.854 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 30 85.940 0.168 -4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.183 2.588 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 30 85.437 2.461 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 30 86.821 1.930 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 30 86.601 3.588 -3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 30 84.197 1.805 -3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 30 84.688 2.186 -2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 30 83.049 3.861 -3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 30 84.519 4.579 -2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 83.916 5.359 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 85.457 4.647 -4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 84.147 3.784 -5.601 1.00 0.00 H new ATOM 193 N MET A 31 84.479 0.476 -6.797 1.00 0.00 N ATOM 194 CA MET A 31 83.720 0.054 -7.970 1.00 0.00 C ATOM 195 C MET A 31 83.114 1.263 -8.682 1.00 0.00 C ATOM 196 O MET A 31 82.680 2.218 -8.039 1.00 0.00 O ATOM 197 CB MET A 31 82.610 -0.903 -7.557 1.00 0.00 C ATOM 198 CG MET A 31 83.184 -1.996 -6.655 1.00 0.00 C ATOM 199 SD MET A 31 82.153 -3.479 -6.767 1.00 0.00 S ATOM 200 CE MET A 31 82.901 -4.157 -8.273 1.00 0.00 C ATOM 0 H MET A 31 83.966 1.077 -6.152 1.00 0.00 H new ATOM 0 HA MET A 31 84.400 -0.453 -8.654 1.00 0.00 H new ATOM 0 HB2 MET A 31 81.824 -0.360 -7.032 1.00 0.00 H new ATOM 0 HB3 MET A 31 82.153 -1.349 -8.440 1.00 0.00 H new ATOM 0 HG2 MET A 31 84.206 -2.228 -6.953 1.00 0.00 H new ATOM 0 HG3 MET A 31 83.225 -1.646 -5.623 1.00 0.00 H new ATOM 0 HE1 MET A 31 82.510 -5.158 -8.455 1.00 0.00 H new ATOM 0 HE2 MET A 31 82.661 -3.514 -9.120 1.00 0.00 H new ATOM 0 HE3 MET A 31 83.983 -4.207 -8.151 1.00 0.00 H new ATOM 210 N SER A 32 83.102 1.222 -10.013 1.00 0.00 N ATOM 211 CA SER A 32 82.567 2.322 -10.795 1.00 0.00 C ATOM 212 C SER A 32 81.043 2.267 -10.798 1.00 0.00 C ATOM 213 O SER A 32 80.454 1.249 -11.159 1.00 0.00 O ATOM 214 CB SER A 32 83.080 2.238 -12.232 1.00 0.00 C ATOM 215 OG SER A 32 82.810 3.465 -12.892 1.00 0.00 O ATOM 0 H SER A 32 83.456 0.441 -10.565 1.00 0.00 H new ATOM 0 HA SER A 32 82.894 3.261 -10.348 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.151 2.035 -12.238 1.00 0.00 H new ATOM 0 HB3 SER A 32 82.596 1.414 -12.757 1.00 0.00 H new ATOM 0 HG SER A 32 83.622 4.014 -12.907 1.00 0.00 H new ATOM 221 N LEU A 33 80.415 3.363 -10.392 1.00 0.00 N ATOM 222 CA LEU A 33 78.961 3.437 -10.345 1.00 0.00 C ATOM 223 C LEU A 33 78.422 4.378 -11.412 1.00 0.00 C ATOM 224 O LEU A 33 78.721 5.569 -11.412 1.00 0.00 O ATOM 225 CB LEU A 33 78.505 3.922 -8.961 1.00 0.00 C ATOM 226 CG LEU A 33 77.764 2.798 -8.234 1.00 0.00 C ATOM 227 CD1 LEU A 33 76.506 2.420 -9.022 1.00 0.00 C ATOM 228 CD2 LEU A 33 78.681 1.577 -8.113 1.00 0.00 C ATOM 0 H LEU A 33 80.890 4.213 -10.090 1.00 0.00 H new ATOM 0 HA LEU A 33 78.569 2.438 -10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 33 79.367 4.240 -8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 33 77.854 4.790 -9.066 1.00 0.00 H new ATOM 0 HG LEU A 33 77.478 3.136 -7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 33 75.979 1.619 -8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 33 75.854 3.289 -9.105 1.00 0.00 H new ATOM 0 HD13 LEU A 33 76.789 2.082 -10.019 1.00 0.00 H new ATOM 0 HD21 LEU A 33 78.154 0.776 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 33 78.969 1.238 -9.108 1.00 0.00 H new ATOM 0 HD23 LEU A 33 79.574 1.847 -7.549 1.00 0.00 H new ATOM 240 N LYS A 34 77.621 3.831 -12.323 1.00 0.00 N ATOM 241 CA LYS A 34 77.033 4.632 -13.389 1.00 0.00 C ATOM 242 C LYS A 34 75.765 3.973 -13.916 1.00 0.00 C ATOM 243 O LYS A 34 75.753 2.771 -14.178 1.00 0.00 O ATOM 244 CB LYS A 34 78.042 4.799 -14.523 1.00 0.00 C ATOM 245 CG LYS A 34 78.537 3.426 -14.986 1.00 0.00 C ATOM 246 CD LYS A 34 79.860 3.580 -15.733 1.00 0.00 C ATOM 247 CE LYS A 34 81.019 3.529 -14.733 1.00 0.00 C ATOM 248 NZ LYS A 34 82.309 3.693 -15.461 1.00 0.00 N ATOM 0 H LYS A 34 77.367 2.843 -12.344 1.00 0.00 H new ATOM 0 HA LYS A 34 76.773 5.612 -12.988 1.00 0.00 H new ATOM 0 HB2 LYS A 34 77.581 5.329 -15.356 1.00 0.00 H new ATOM 0 HB3 LYS A 34 78.884 5.404 -14.186 1.00 0.00 H new ATOM 0 HG2 LYS A 34 78.668 2.768 -14.127 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.794 2.961 -15.634 1.00 0.00 H new ATOM 0 HD2 LYS A 34 79.968 2.786 -16.472 1.00 0.00 H new ATOM 0 HD3 LYS A 34 79.875 4.525 -16.276 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.906 4.317 -13.988 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.010 2.580 -14.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 83.099 3.608 -14.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.392 2.956 -16.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.337 4.630 -15.911 1.00 0.00 H new ATOM 262 N GLY A 35 74.711 4.768 -14.086 1.00 0.00 N ATOM 263 CA GLY A 35 73.442 4.250 -14.600 1.00 0.00 C ATOM 264 C GLY A 35 73.179 2.842 -14.074 1.00 0.00 C ATOM 265 O GLY A 35 73.054 1.895 -14.850 1.00 0.00 O ATOM 0 H GLY A 35 74.708 5.766 -13.878 1.00 0.00 H new ATOM 0 HA2 GLY A 35 72.628 4.911 -14.305 1.00 0.00 H new ATOM 0 HA3 GLY A 35 73.464 4.238 -15.690 1.00 0.00 H new ATOM 269 N THR A 36 73.149 2.704 -12.755 1.00 0.00 N ATOM 270 CA THR A 36 72.954 1.400 -12.131 1.00 0.00 C ATOM 271 C THR A 36 73.905 0.377 -12.757 1.00 0.00 C ATOM 272 O THR A 36 73.478 -0.618 -13.337 1.00 0.00 O ATOM 273 CB THR A 36 71.508 0.941 -12.324 1.00 0.00 C ATOM 274 OG1 THR A 36 71.019 1.440 -13.565 1.00 0.00 O ATOM 275 CG2 THR A 36 70.646 1.464 -11.180 1.00 0.00 C ATOM 0 H THR A 36 73.257 3.476 -12.097 1.00 0.00 H new ATOM 0 HA THR A 36 73.165 1.483 -11.065 1.00 0.00 H new ATOM 0 HB THR A 36 71.468 -0.148 -12.330 1.00 0.00 H new ATOM 0 HG1 THR A 36 71.584 1.112 -14.295 1.00 0.00 H new ATOM 0 HG21 THR A 36 69.616 1.135 -11.321 1.00 0.00 H new ATOM 0 HG22 THR A 36 71.024 1.078 -10.233 1.00 0.00 H new ATOM 0 HG23 THR A 36 70.680 2.553 -11.167 1.00 0.00 H new ATOM 283 N THR A 37 75.200 0.616 -12.604 1.00 0.00 N ATOM 284 CA THR A 37 76.207 -0.302 -13.141 1.00 0.00 C ATOM 285 C THR A 37 77.434 -0.327 -12.236 1.00 0.00 C ATOM 286 O THR A 37 78.051 0.707 -11.990 1.00 0.00 O ATOM 287 CB THR A 37 76.615 0.133 -14.547 1.00 0.00 C ATOM 288 OG1 THR A 37 75.446 0.441 -15.296 1.00 0.00 O ATOM 289 CG2 THR A 37 77.371 -1.002 -15.233 1.00 0.00 C ATOM 0 H THR A 37 75.580 1.428 -12.118 1.00 0.00 H new ATOM 0 HA THR A 37 75.777 -1.303 -13.185 1.00 0.00 H new ATOM 0 HB THR A 37 77.258 1.011 -14.487 1.00 0.00 H new ATOM 0 HG1 THR A 37 75.123 1.332 -15.046 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.662 -0.691 -16.236 1.00 0.00 H new ATOM 0 HG22 THR A 37 78.263 -1.246 -14.656 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.729 -1.880 -15.297 1.00 0.00 H new ATOM 297 N VAL A 38 77.772 -1.508 -11.732 1.00 0.00 N ATOM 298 CA VAL A 38 78.913 -1.643 -10.831 1.00 0.00 C ATOM 299 C VAL A 38 80.022 -2.459 -11.484 1.00 0.00 C ATOM 300 O VAL A 38 79.838 -3.635 -11.787 1.00 0.00 O ATOM 301 CB VAL A 38 78.469 -2.331 -9.543 1.00 0.00 C ATOM 302 CG1 VAL A 38 79.590 -2.252 -8.508 1.00 0.00 C ATOM 303 CG2 VAL A 38 77.217 -1.654 -9.001 1.00 0.00 C ATOM 0 H VAL A 38 77.279 -2.379 -11.929 1.00 0.00 H new ATOM 0 HA VAL A 38 79.297 -0.648 -10.606 1.00 0.00 H new ATOM 0 HB VAL A 38 78.245 -3.377 -9.752 1.00 0.00 H new ATOM 0 HG11 VAL A 38 79.272 -2.744 -7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.479 -2.749 -8.896 1.00 0.00 H new ATOM 0 HG13 VAL A 38 79.820 -1.207 -8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 38 76.905 -2.149 -8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 38 77.431 -0.606 -8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 38 76.418 -1.722 -9.739 1.00 0.00 H new ATOM 313 N THR A 39 81.173 -1.823 -11.690 1.00 0.00 N ATOM 314 CA THR A 39 82.297 -2.500 -12.303 1.00 0.00 C ATOM 315 C THR A 39 83.601 -2.102 -11.620 1.00 0.00 C ATOM 316 O THR A 39 83.623 -1.206 -10.782 1.00 0.00 O ATOM 317 CB THR A 39 82.380 -2.160 -13.786 1.00 0.00 C ATOM 318 OG1 THR A 39 83.520 -1.344 -14.030 1.00 0.00 O ATOM 319 CG2 THR A 39 81.119 -1.412 -14.216 1.00 0.00 C ATOM 0 H THR A 39 81.345 -0.849 -11.442 1.00 0.00 H new ATOM 0 HA THR A 39 82.146 -3.573 -12.188 1.00 0.00 H new ATOM 0 HB THR A 39 82.467 -3.084 -14.358 1.00 0.00 H new ATOM 0 HG1 THR A 39 83.570 -1.129 -14.985 1.00 0.00 H new ATOM 0 HG21 THR A 39 81.183 -1.171 -15.277 1.00 0.00 H new ATOM 0 HG22 THR A 39 80.245 -2.039 -14.038 1.00 0.00 H new ATOM 0 HG23 THR A 39 81.028 -0.491 -13.640 1.00 0.00 H new ATOM 327 N PRO A 40 84.681 -2.750 -11.960 1.00 0.00 N ATOM 328 CA PRO A 40 86.014 -2.460 -11.359 1.00 0.00 C ATOM 329 C PRO A 40 86.413 -0.994 -11.517 1.00 0.00 C ATOM 330 O PRO A 40 86.395 -0.450 -12.623 1.00 0.00 O ATOM 331 CB PRO A 40 86.971 -3.368 -12.142 1.00 0.00 C ATOM 332 CG PRO A 40 86.118 -4.453 -12.698 1.00 0.00 C ATOM 333 CD PRO A 40 84.759 -3.830 -12.948 1.00 0.00 C ATOM 0 HA PRO A 40 86.024 -2.643 -10.285 1.00 0.00 H new ATOM 0 HB2 PRO A 40 87.474 -2.817 -12.937 1.00 0.00 H new ATOM 0 HB3 PRO A 40 87.748 -3.772 -11.493 1.00 0.00 H new ATOM 0 HG2 PRO A 40 86.542 -4.848 -13.621 1.00 0.00 H new ATOM 0 HG3 PRO A 40 86.043 -5.287 -12.000 1.00 0.00 H new ATOM 0 HD2 PRO A 40 84.675 -3.448 -13.965 1.00 0.00 H new ATOM 0 HD3 PRO A 40 83.956 -4.555 -12.813 1.00 0.00 H new ATOM 341 N ASP A 41 86.782 -0.363 -10.408 1.00 0.00 N ATOM 342 CA ASP A 41 87.189 1.038 -10.435 1.00 0.00 C ATOM 343 C ASP A 41 88.708 1.153 -10.513 1.00 0.00 C ATOM 344 O ASP A 41 89.420 0.738 -9.599 1.00 0.00 O ATOM 345 CB ASP A 41 86.690 1.758 -9.185 1.00 0.00 C ATOM 346 CG ASP A 41 86.978 3.250 -9.284 1.00 0.00 C ATOM 347 OD1 ASP A 41 87.654 3.639 -10.221 1.00 0.00 O ATOM 348 OD2 ASP A 41 86.522 3.982 -8.421 1.00 0.00 O ATOM 0 H ASP A 41 86.808 -0.795 -9.484 1.00 0.00 H new ATOM 0 HA ASP A 41 86.751 1.502 -11.319 1.00 0.00 H new ATOM 0 HB2 ASP A 41 85.619 1.595 -9.066 1.00 0.00 H new ATOM 0 HB3 ASP A 41 87.176 1.345 -8.301 1.00 0.00 H new ATOM 353 N LYS A 42 89.197 1.724 -11.607 1.00 0.00 N ATOM 354 CA LYS A 42 90.636 1.890 -11.792 1.00 0.00 C ATOM 355 C LYS A 42 91.250 2.594 -10.586 1.00 0.00 C ATOM 356 O LYS A 42 92.443 2.458 -10.314 1.00 0.00 O ATOM 357 CB LYS A 42 90.912 2.707 -13.056 1.00 0.00 C ATOM 358 CG LYS A 42 91.047 1.764 -14.254 1.00 0.00 C ATOM 359 CD LYS A 42 91.247 2.585 -15.529 1.00 0.00 C ATOM 360 CE LYS A 42 89.890 2.846 -16.185 1.00 0.00 C ATOM 361 NZ LYS A 42 89.353 1.570 -16.738 1.00 0.00 N ATOM 0 H LYS A 42 88.625 2.078 -12.374 1.00 0.00 H new ATOM 0 HA LYS A 42 91.087 0.903 -11.894 1.00 0.00 H new ATOM 0 HB2 LYS A 42 90.102 3.416 -13.227 1.00 0.00 H new ATOM 0 HB3 LYS A 42 91.825 3.289 -12.933 1.00 0.00 H new ATOM 0 HG2 LYS A 42 91.891 1.090 -14.107 1.00 0.00 H new ATOM 0 HG3 LYS A 42 90.155 1.144 -14.344 1.00 0.00 H new ATOM 0 HD2 LYS A 42 91.737 3.530 -15.293 1.00 0.00 H new ATOM 0 HD3 LYS A 42 91.900 2.051 -16.219 1.00 0.00 H new ATOM 0 HE2 LYS A 42 89.194 3.260 -15.455 1.00 0.00 H new ATOM 0 HE3 LYS A 42 89.994 3.584 -16.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 88.747 1.775 -17.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 90.142 0.961 -17.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 88.794 1.083 -16.008 1.00 0.00 H new ATOM 375 N ARG A 43 90.426 3.348 -9.864 1.00 0.00 N ATOM 376 CA ARG A 43 90.900 4.066 -8.687 1.00 0.00 C ATOM 377 C ARG A 43 91.122 3.102 -7.526 1.00 0.00 C ATOM 378 O ARG A 43 90.239 2.311 -7.188 1.00 0.00 O ATOM 379 CB ARG A 43 89.878 5.130 -8.278 1.00 0.00 C ATOM 380 CG ARG A 43 90.515 6.091 -7.273 1.00 0.00 C ATOM 381 CD ARG A 43 90.796 7.430 -7.956 1.00 0.00 C ATOM 382 NE ARG A 43 91.520 7.218 -9.205 1.00 0.00 N ATOM 383 CZ ARG A 43 91.851 8.239 -9.989 1.00 0.00 C ATOM 384 NH1 ARG A 43 92.497 8.024 -11.102 1.00 0.00 N ATOM 385 NH2 ARG A 43 91.529 9.457 -9.646 1.00 0.00 N ATOM 0 H ARG A 43 89.436 3.477 -10.071 1.00 0.00 H new ATOM 0 HA ARG A 43 91.847 4.546 -8.934 1.00 0.00 H new ATOM 0 HB2 ARG A 43 89.537 5.679 -9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 43 89.000 4.656 -7.838 1.00 0.00 H new ATOM 0 HG2 ARG A 43 89.850 6.237 -6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 43 91.441 5.667 -6.885 1.00 0.00 H new ATOM 0 HD2 ARG A 43 89.858 7.949 -8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 43 91.380 8.069 -7.293 1.00 0.00 H new ATOM 0 HE ARG A 43 91.776 6.270 -9.481 1.00 0.00 H new ATOM 0 HH11 ARG A 43 92.748 7.072 -11.370 1.00 0.00 H new ATOM 0 HH12 ARG A 43 92.751 8.807 -11.704 1.00 0.00 H new ATOM 0 HH21 ARG A 43 91.023 9.625 -8.776 1.00 0.00 H new ATOM 0 HH22 ARG A 43 91.783 10.240 -10.248 1.00 0.00 H new ATOM 399 N LYS A 44 92.301 3.176 -6.918 1.00 0.00 N ATOM 400 CA LYS A 44 92.629 2.305 -5.793 1.00 0.00 C ATOM 401 C LYS A 44 92.707 3.111 -4.501 1.00 0.00 C ATOM 402 O LYS A 44 93.158 4.257 -4.501 1.00 0.00 O ATOM 403 CB LYS A 44 93.966 1.608 -6.045 1.00 0.00 C ATOM 404 CG LYS A 44 93.897 0.828 -7.358 1.00 0.00 C ATOM 405 CD LYS A 44 95.242 0.143 -7.616 1.00 0.00 C ATOM 406 CE LYS A 44 96.137 1.069 -8.441 1.00 0.00 C ATOM 407 NZ LYS A 44 95.640 1.121 -9.845 1.00 0.00 N ATOM 0 H LYS A 44 93.042 3.825 -7.182 1.00 0.00 H new ATOM 0 HA LYS A 44 91.844 1.555 -5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 44 94.769 2.344 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 44 94.197 0.933 -5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 44 93.101 0.085 -7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 44 93.656 1.501 -8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 44 95.726 -0.100 -6.670 1.00 0.00 H new ATOM 0 HD3 LYS A 44 95.088 -0.797 -8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 44 96.140 2.069 -8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 44 97.166 0.710 -8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 96.423 1.371 -10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 95.260 0.191 -10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 94.890 1.837 -9.921 1.00 0.00 H new ATOM 421 N GLY A 45 92.262 2.503 -3.401 1.00 0.00 N ATOM 422 CA GLY A 45 92.284 3.174 -2.107 1.00 0.00 C ATOM 423 C GLY A 45 93.002 2.330 -1.066 1.00 0.00 C ATOM 424 O GLY A 45 93.408 1.200 -1.344 1.00 0.00 O ATOM 0 H GLY A 45 91.886 1.555 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 45 92.781 4.139 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 45 91.264 3.372 -1.779 1.00 0.00 H new ATOM 428 N LEU A 46 93.161 2.888 0.129 1.00 0.00 N ATOM 429 CA LEU A 46 93.841 2.174 1.210 1.00 0.00 C ATOM 430 C LEU A 46 92.972 2.134 2.459 1.00 0.00 C ATOM 431 O LEU A 46 92.526 3.170 2.941 1.00 0.00 O ATOM 432 CB LEU A 46 95.172 2.855 1.529 1.00 0.00 C ATOM 433 CG LEU A 46 95.905 2.066 2.617 1.00 0.00 C ATOM 434 CD1 LEU A 46 97.378 1.917 2.235 1.00 0.00 C ATOM 435 CD2 LEU A 46 95.796 2.815 3.946 1.00 0.00 C ATOM 0 H LEU A 46 92.833 3.822 0.375 1.00 0.00 H new ATOM 0 HA LEU A 46 94.027 1.151 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 46 95.787 2.913 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 46 94.998 3.878 1.862 1.00 0.00 H new ATOM 0 HG LEU A 46 95.455 1.078 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 46 97.900 1.355 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 46 97.456 1.385 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 46 97.830 2.904 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 46 96.317 2.255 4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 46 96.247 3.802 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 46 94.746 2.922 4.218 1.00 0.00 H new ATOM 447 N VAL A 47 92.737 0.933 2.978 1.00 0.00 N ATOM 448 CA VAL A 47 91.914 0.777 4.170 1.00 0.00 C ATOM 449 C VAL A 47 92.791 0.640 5.410 1.00 0.00 C ATOM 450 O VAL A 47 93.616 -0.270 5.498 1.00 0.00 O ATOM 451 CB VAL A 47 91.028 -0.464 4.030 1.00 0.00 C ATOM 452 CG1 VAL A 47 90.164 -0.619 5.283 1.00 0.00 C ATOM 453 CG2 VAL A 47 90.125 -0.310 2.804 1.00 0.00 C ATOM 0 H VAL A 47 93.102 0.061 2.595 1.00 0.00 H new ATOM 0 HA VAL A 47 91.287 1.662 4.278 1.00 0.00 H new ATOM 0 HB VAL A 47 91.656 -1.347 3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 47 89.533 -1.502 5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 47 90.806 -0.729 6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 47 89.536 0.264 5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.494 -1.193 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.497 0.573 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 47 90.740 -0.200 1.911 1.00 0.00 H new ATOM 463 N TYR A 48 92.600 1.548 6.364 1.00 0.00 N ATOM 464 CA TYR A 48 93.370 1.522 7.596 1.00 0.00 C ATOM 465 C TYR A 48 92.449 1.563 8.809 1.00 0.00 C ATOM 466 O TYR A 48 91.635 2.475 8.950 1.00 0.00 O ATOM 467 CB TYR A 48 94.333 2.708 7.639 1.00 0.00 C ATOM 468 CG TYR A 48 94.827 2.909 9.054 1.00 0.00 C ATOM 469 CD1 TYR A 48 95.287 1.816 9.803 1.00 0.00 C ATOM 470 CD2 TYR A 48 94.826 4.190 9.619 1.00 0.00 C ATOM 471 CE1 TYR A 48 95.740 2.004 11.108 1.00 0.00 C ATOM 472 CE2 TYR A 48 95.283 4.376 10.929 1.00 0.00 C ATOM 473 CZ TYR A 48 95.741 3.284 11.672 1.00 0.00 C ATOM 474 OH TYR A 48 96.196 3.473 12.961 1.00 0.00 O ATOM 0 H TYR A 48 91.921 2.306 6.304 1.00 0.00 H new ATOM 0 HA TYR A 48 93.940 0.594 7.623 1.00 0.00 H new ATOM 0 HB2 TYR A 48 95.176 2.530 6.971 1.00 0.00 H new ATOM 0 HB3 TYR A 48 93.832 3.609 7.287 1.00 0.00 H new ATOM 0 HD1 TYR A 48 95.290 0.827 9.368 1.00 0.00 H new ATOM 0 HD2 TYR A 48 94.473 5.034 9.045 1.00 0.00 H new ATOM 0 HE1 TYR A 48 96.091 1.160 11.684 1.00 0.00 H new ATOM 0 HE2 TYR A 48 95.282 5.364 11.366 1.00 0.00 H new ATOM 0 HH TYR A 48 96.129 4.422 13.196 1.00 0.00 H new ATOM 484 N ILE A 49 92.582 0.567 9.678 1.00 0.00 N ATOM 485 CA ILE A 49 91.756 0.486 10.878 1.00 0.00 C ATOM 486 C ILE A 49 92.613 0.313 12.123 1.00 0.00 C ATOM 487 O ILE A 49 93.582 -0.448 12.122 1.00 0.00 O ATOM 488 CB ILE A 49 90.775 -0.682 10.762 1.00 0.00 C ATOM 489 CG1 ILE A 49 89.703 -0.350 9.718 1.00 0.00 C ATOM 490 CG2 ILE A 49 90.113 -0.938 12.114 1.00 0.00 C ATOM 491 CD1 ILE A 49 88.866 -1.598 9.427 1.00 0.00 C ATOM 0 H ILE A 49 93.253 -0.195 9.575 1.00 0.00 H new ATOM 0 HA ILE A 49 91.201 1.420 10.969 1.00 0.00 H new ATOM 0 HB ILE A 49 91.316 -1.576 10.454 1.00 0.00 H new ATOM 0 HG12 ILE A 49 89.062 0.453 10.082 1.00 0.00 H new ATOM 0 HG13 ILE A 49 90.172 0.008 8.801 1.00 0.00 H new ATOM 0 HG21 ILE A 49 89.415 -1.771 12.026 1.00 0.00 H new ATOM 0 HG22 ILE A 49 90.877 -1.181 12.853 1.00 0.00 H new ATOM 0 HG23 ILE A 49 89.574 -0.045 12.430 1.00 0.00 H new ATOM 0 HD11 ILE A 49 88.104 -1.360 8.685 1.00 0.00 H new ATOM 0 HD12 ILE A 49 89.512 -2.388 9.044 1.00 0.00 H new ATOM 0 HD13 ILE A 49 88.385 -1.936 10.345 1.00 0.00 H new ATOM 503 N GLN A 50 92.241 1.018 13.191 1.00 0.00 N ATOM 504 CA GLN A 50 92.977 0.914 14.446 1.00 0.00 C ATOM 505 C GLN A 50 92.051 1.160 15.633 1.00 0.00 C ATOM 506 O GLN A 50 91.086 1.914 15.533 1.00 0.00 O ATOM 507 CB GLN A 50 94.119 1.929 14.468 1.00 0.00 C ATOM 508 CG GLN A 50 93.540 3.345 14.529 1.00 0.00 C ATOM 509 CD GLN A 50 93.271 3.739 15.976 1.00 0.00 C ATOM 510 OE1 GLN A 50 94.193 3.776 16.792 1.00 0.00 O ATOM 511 NE2 GLN A 50 92.053 4.016 16.353 1.00 0.00 N ATOM 0 H GLN A 50 91.447 1.657 13.212 1.00 0.00 H new ATOM 0 HA GLN A 50 93.386 -0.093 14.522 1.00 0.00 H new ATOM 0 HB2 GLN A 50 94.763 1.750 15.329 1.00 0.00 H new ATOM 0 HB3 GLN A 50 94.738 1.816 13.578 1.00 0.00 H new ATOM 0 HG2 GLN A 50 94.236 4.051 14.075 1.00 0.00 H new ATOM 0 HG3 GLN A 50 92.616 3.394 13.953 1.00 0.00 H new ATOM 0 HE21 GLN A 50 91.290 3.985 15.676 1.00 0.00 H new ATOM 0 HE22 GLN A 50 91.864 4.263 17.324 1.00 0.00 H new ATOM 520 N GLN A 51 92.354 0.519 16.758 1.00 0.00 N ATOM 521 CA GLN A 51 91.548 0.677 17.962 1.00 0.00 C ATOM 522 C GLN A 51 92.142 1.746 18.872 1.00 0.00 C ATOM 523 O GLN A 51 93.338 1.740 19.152 1.00 0.00 O ATOM 524 CB GLN A 51 91.462 -0.650 18.713 1.00 0.00 C ATOM 525 CG GLN A 51 90.680 -0.452 20.016 1.00 0.00 C ATOM 526 CD GLN A 51 90.376 -1.804 20.652 1.00 0.00 C ATOM 527 OE1 GLN A 51 89.681 -2.628 20.059 1.00 0.00 O ATOM 528 NE2 GLN A 51 90.861 -2.084 21.831 1.00 0.00 N ATOM 0 H GLN A 51 93.149 -0.112 16.860 1.00 0.00 H new ATOM 0 HA GLN A 51 90.547 0.989 17.665 1.00 0.00 H new ATOM 0 HB2 GLN A 51 90.971 -1.400 18.092 1.00 0.00 H new ATOM 0 HB3 GLN A 51 92.463 -1.022 18.931 1.00 0.00 H new ATOM 0 HG2 GLN A 51 91.258 0.162 20.707 1.00 0.00 H new ATOM 0 HG3 GLN A 51 89.751 0.082 19.815 1.00 0.00 H new ATOM 0 HE21 GLN A 51 91.437 -1.400 22.321 1.00 0.00 H new ATOM 0 HE22 GLN A 51 90.664 -2.987 22.262 1.00 0.00 H new ATOM 537 N THR A 52 91.294 2.657 19.338 1.00 0.00 N ATOM 538 CA THR A 52 91.744 3.724 20.224 1.00 0.00 C ATOM 539 C THR A 52 91.983 3.183 21.630 1.00 0.00 C ATOM 540 O THR A 52 92.286 2.002 21.809 1.00 0.00 O ATOM 541 CB THR A 52 90.697 4.838 20.278 1.00 0.00 C ATOM 542 OG1 THR A 52 89.907 4.800 19.097 1.00 0.00 O ATOM 543 CG2 THR A 52 91.396 6.193 20.384 1.00 0.00 C ATOM 0 H THR A 52 90.298 2.678 19.119 1.00 0.00 H new ATOM 0 HA THR A 52 92.679 4.125 19.833 1.00 0.00 H new ATOM 0 HB THR A 52 90.057 4.694 21.148 1.00 0.00 H new ATOM 0 HG1 THR A 52 89.213 4.114 19.189 1.00 0.00 H new ATOM 0 HG21 THR A 52 90.649 6.986 20.422 1.00 0.00 H new ATOM 0 HG22 THR A 52 92.001 6.220 21.290 1.00 0.00 H new ATOM 0 HG23 THR A 52 92.037 6.341 19.515 1.00 0.00 H new ATOM 551 N ASP A 53 91.851 4.055 22.624 1.00 0.00 N ATOM 552 CA ASP A 53 92.054 3.652 24.011 1.00 0.00 C ATOM 553 C ASP A 53 90.721 3.405 24.706 1.00 0.00 C ATOM 554 O ASP A 53 90.669 2.786 25.769 1.00 0.00 O ATOM 555 CB ASP A 53 92.832 4.738 24.761 1.00 0.00 C ATOM 556 CG ASP A 53 94.265 4.810 24.245 1.00 0.00 C ATOM 557 OD1 ASP A 53 94.686 3.868 23.595 1.00 0.00 O ATOM 558 OD2 ASP A 53 94.918 5.808 24.503 1.00 0.00 O ATOM 0 H ASP A 53 91.606 5.037 22.497 1.00 0.00 H new ATOM 0 HA ASP A 53 92.625 2.724 24.017 1.00 0.00 H new ATOM 0 HB2 ASP A 53 92.342 5.703 24.630 1.00 0.00 H new ATOM 0 HB3 ASP A 53 92.833 4.523 25.830 1.00 0.00 H new ATOM 563 N ASP A 54 89.648 3.896 24.101 1.00 0.00 N ATOM 564 CA ASP A 54 88.316 3.731 24.671 1.00 0.00 C ATOM 565 C ASP A 54 87.592 2.566 24.012 1.00 0.00 C ATOM 566 O ASP A 54 86.375 2.438 24.134 1.00 0.00 O ATOM 567 CB ASP A 54 87.503 5.013 24.486 1.00 0.00 C ATOM 568 CG ASP A 54 88.216 6.185 25.151 1.00 0.00 C ATOM 569 OD1 ASP A 54 88.994 6.840 24.478 1.00 0.00 O ATOM 570 OD2 ASP A 54 87.973 6.410 26.326 1.00 0.00 O ATOM 0 H ASP A 54 89.672 4.409 23.220 1.00 0.00 H new ATOM 0 HA ASP A 54 88.422 3.522 25.735 1.00 0.00 H new ATOM 0 HB2 ASP A 54 87.366 5.216 23.424 1.00 0.00 H new ATOM 0 HB3 ASP A 54 86.510 4.889 24.918 1.00 0.00 H new ATOM 575 N SER A 55 88.345 1.728 23.306 1.00 0.00 N ATOM 576 CA SER A 55 87.767 0.576 22.623 1.00 0.00 C ATOM 577 C SER A 55 87.025 1.023 21.367 1.00 0.00 C ATOM 578 O SER A 55 86.131 0.327 20.882 1.00 0.00 O ATOM 579 CB SER A 55 86.796 -0.151 23.556 1.00 0.00 C ATOM 580 OG SER A 55 87.272 -0.054 24.893 1.00 0.00 O ATOM 0 H SER A 55 89.354 1.825 23.192 1.00 0.00 H new ATOM 0 HA SER A 55 88.573 -0.100 22.340 1.00 0.00 H new ATOM 0 HB2 SER A 55 85.801 0.288 23.479 1.00 0.00 H new ATOM 0 HB3 SER A 55 86.707 -1.197 23.264 1.00 0.00 H new ATOM 0 HG SER A 55 86.653 -0.517 25.495 1.00 0.00 H new ATOM 586 N LEU A 56 87.403 2.186 20.844 1.00 0.00 N ATOM 587 CA LEU A 56 86.766 2.712 19.641 1.00 0.00 C ATOM 588 C LEU A 56 87.628 2.442 18.415 1.00 0.00 C ATOM 589 O LEU A 56 88.835 2.675 18.429 1.00 0.00 O ATOM 590 CB LEU A 56 86.547 4.218 19.787 1.00 0.00 C ATOM 591 CG LEU A 56 85.172 4.476 20.402 1.00 0.00 C ATOM 592 CD1 LEU A 56 85.077 3.778 21.758 1.00 0.00 C ATOM 593 CD2 LEU A 56 84.968 5.983 20.589 1.00 0.00 C ATOM 0 H LEU A 56 88.140 2.777 21.230 1.00 0.00 H new ATOM 0 HA LEU A 56 85.806 2.212 19.513 1.00 0.00 H new ATOM 0 HB2 LEU A 56 87.325 4.650 20.416 1.00 0.00 H new ATOM 0 HB3 LEU A 56 86.618 4.703 18.813 1.00 0.00 H new ATOM 0 HG LEU A 56 84.401 4.084 19.738 1.00 0.00 H new ATOM 0 HD11 LEU A 56 84.096 3.963 22.195 1.00 0.00 H new ATOM 0 HD12 LEU A 56 85.219 2.705 21.626 1.00 0.00 H new ATOM 0 HD13 LEU A 56 85.849 4.167 22.422 1.00 0.00 H new ATOM 0 HD21 LEU A 56 83.987 6.166 21.028 1.00 0.00 H new ATOM 0 HD22 LEU A 56 85.740 6.375 21.251 1.00 0.00 H new ATOM 0 HD23 LEU A 56 85.031 6.482 19.622 1.00 0.00 H new ATOM 605 N ILE A 57 87.000 1.946 17.352 1.00 0.00 N ATOM 606 CA ILE A 57 87.724 1.649 16.122 1.00 0.00 C ATOM 607 C ILE A 57 87.632 2.821 15.152 1.00 0.00 C ATOM 608 O ILE A 57 86.543 3.283 14.823 1.00 0.00 O ATOM 609 CB ILE A 57 87.148 0.386 15.469 1.00 0.00 C ATOM 610 CG1 ILE A 57 87.725 -0.854 16.158 1.00 0.00 C ATOM 611 CG2 ILE A 57 87.520 0.362 13.987 1.00 0.00 C ATOM 612 CD1 ILE A 57 87.516 -0.743 17.668 1.00 0.00 C ATOM 0 H ILE A 57 86.001 1.743 17.318 1.00 0.00 H new ATOM 0 HA ILE A 57 88.773 1.481 16.368 1.00 0.00 H new ATOM 0 HB ILE A 57 86.063 0.388 15.572 1.00 0.00 H new ATOM 0 HG12 ILE A 57 87.239 -1.753 15.778 1.00 0.00 H new ATOM 0 HG13 ILE A 57 88.788 -0.946 15.933 1.00 0.00 H new ATOM 0 HG21 ILE A 57 87.111 -0.536 13.524 1.00 0.00 H new ATOM 0 HG22 ILE A 57 87.110 1.244 13.495 1.00 0.00 H new ATOM 0 HG23 ILE A 57 88.605 0.361 13.884 1.00 0.00 H new ATOM 0 HD11 ILE A 57 87.927 -1.626 18.158 1.00 0.00 H new ATOM 0 HD12 ILE A 57 88.022 0.148 18.041 1.00 0.00 H new ATOM 0 HD13 ILE A 57 86.450 -0.672 17.883 1.00 0.00 H new ATOM 624 N HIS A 58 88.788 3.277 14.676 1.00 0.00 N ATOM 625 CA HIS A 58 88.823 4.381 13.730 1.00 0.00 C ATOM 626 C HIS A 58 88.972 3.851 12.305 1.00 0.00 C ATOM 627 O HIS A 58 89.946 3.153 11.989 1.00 0.00 O ATOM 628 CB HIS A 58 89.990 5.314 14.049 1.00 0.00 C ATOM 629 CG HIS A 58 89.729 6.671 13.455 1.00 0.00 C ATOM 630 ND1 HIS A 58 90.519 7.770 13.753 1.00 0.00 N ATOM 631 CD2 HIS A 58 88.769 7.124 12.583 1.00 0.00 C ATOM 632 CE1 HIS A 58 90.025 8.820 13.072 1.00 0.00 C ATOM 633 NE2 HIS A 58 88.959 8.481 12.343 1.00 0.00 N ATOM 0 H HIS A 58 89.702 2.902 14.928 1.00 0.00 H new ATOM 0 HA HIS A 58 87.888 4.934 13.812 1.00 0.00 H new ATOM 0 HB2 HIS A 58 90.118 5.397 15.128 1.00 0.00 H new ATOM 0 HB3 HIS A 58 90.917 4.903 13.649 1.00 0.00 H new ATOM 0 HD2 HIS A 58 87.986 6.519 12.150 1.00 0.00 H new ATOM 0 HE1 HIS A 58 90.440 9.816 13.110 1.00 0.00 H new ATOM 0 HE2 HIS A 58 88.403 9.087 11.740 1.00 0.00 H new ATOM 641 N PHE A 59 87.999 4.181 11.452 1.00 0.00 N ATOM 642 CA PHE A 59 88.028 3.740 10.062 1.00 0.00 C ATOM 643 C PHE A 59 88.504 4.863 9.153 1.00 0.00 C ATOM 644 O PHE A 59 87.815 5.869 8.984 1.00 0.00 O ATOM 645 CB PHE A 59 86.635 3.291 9.629 1.00 0.00 C ATOM 646 CG PHE A 59 86.504 3.412 8.132 1.00 0.00 C ATOM 647 CD1 PHE A 59 87.187 2.524 7.294 1.00 0.00 C ATOM 648 CD2 PHE A 59 85.700 4.418 7.581 1.00 0.00 C ATOM 649 CE1 PHE A 59 87.066 2.641 5.903 1.00 0.00 C ATOM 650 CE2 PHE A 59 85.578 4.534 6.192 1.00 0.00 C ATOM 651 CZ PHE A 59 86.260 3.648 5.354 1.00 0.00 C ATOM 0 H PHE A 59 87.188 4.748 11.700 1.00 0.00 H new ATOM 0 HA PHE A 59 88.722 2.904 9.982 1.00 0.00 H new ATOM 0 HB2 PHE A 59 86.463 2.259 9.936 1.00 0.00 H new ATOM 0 HB3 PHE A 59 85.877 3.901 10.120 1.00 0.00 H new ATOM 0 HD1 PHE A 59 87.807 1.749 7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 59 85.174 5.104 8.228 1.00 0.00 H new ATOM 0 HE1 PHE A 59 87.593 1.956 5.255 1.00 0.00 H new ATOM 0 HE2 PHE A 59 84.957 5.309 5.767 1.00 0.00 H new ATOM 0 HZ PHE A 59 86.166 3.739 4.282 1.00 0.00 H new ATOM 661 N CYS A 60 89.687 4.684 8.569 1.00 0.00 N ATOM 662 CA CYS A 60 90.255 5.692 7.678 1.00 0.00 C ATOM 663 C CYS A 60 90.511 5.102 6.298 1.00 0.00 C ATOM 664 O CYS A 60 91.116 4.039 6.171 1.00 0.00 O ATOM 665 CB CYS A 60 91.562 6.224 8.259 1.00 0.00 C ATOM 666 SG CYS A 60 92.215 7.526 7.184 1.00 0.00 S ATOM 0 H CYS A 60 90.268 3.855 8.696 1.00 0.00 H new ATOM 0 HA CYS A 60 89.541 6.511 7.583 1.00 0.00 H new ATOM 0 HB2 CYS A 60 91.393 6.616 9.262 1.00 0.00 H new ATOM 0 HB3 CYS A 60 92.287 5.416 8.351 1.00 0.00 H new ATOM 0 HG CYS A 60 93.327 7.981 7.680 1.00 0.00 H new ATOM 672 N TRP A 61 90.049 5.802 5.269 1.00 0.00 N ATOM 673 CA TRP A 61 90.235 5.344 3.891 1.00 0.00 C ATOM 674 C TRP A 61 90.938 6.413 3.066 1.00 0.00 C ATOM 675 O TRP A 61 90.381 7.482 2.805 1.00 0.00 O ATOM 676 CB TRP A 61 88.883 5.022 3.261 1.00 0.00 C ATOM 677 CG TRP A 61 89.094 4.451 1.896 1.00 0.00 C ATOM 678 CD1 TRP A 61 89.804 3.334 1.625 1.00 0.00 C ATOM 679 CD2 TRP A 61 88.604 4.946 0.616 1.00 0.00 C ATOM 680 NE1 TRP A 61 89.785 3.111 0.261 1.00 0.00 N ATOM 681 CE2 TRP A 61 89.058 4.078 -0.404 1.00 0.00 C ATOM 682 CE3 TRP A 61 87.818 6.051 0.247 1.00 0.00 C ATOM 683 CZ2 TRP A 61 88.745 4.299 -1.743 1.00 0.00 C ATOM 684 CZ3 TRP A 61 87.499 6.275 -1.102 1.00 0.00 C ATOM 685 CH2 TRP A 61 87.961 5.402 -2.096 1.00 0.00 C ATOM 0 H TRP A 61 89.545 6.684 5.358 1.00 0.00 H new ATOM 0 HA TRP A 61 90.851 4.445 3.906 1.00 0.00 H new ATOM 0 HB2 TRP A 61 88.339 4.312 3.884 1.00 0.00 H new ATOM 0 HB3 TRP A 61 88.274 5.924 3.200 1.00 0.00 H new ATOM 0 HD1 TRP A 61 90.305 2.716 2.355 1.00 0.00 H new ATOM 0 HE1 TRP A 61 90.251 2.328 -0.198 1.00 0.00 H new ATOM 0 HE3 TRP A 61 87.458 6.731 1.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 89.105 3.623 -2.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 86.893 7.126 -1.375 1.00 0.00 H new ATOM 0 HH2 TRP A 61 87.712 5.580 -3.132 1.00 0.00 H new ATOM 696 N LYS A 62 92.171 6.117 2.666 1.00 0.00 N ATOM 697 CA LYS A 62 92.959 7.057 1.877 1.00 0.00 C ATOM 698 C LYS A 62 92.989 6.641 0.412 1.00 0.00 C ATOM 699 O LYS A 62 92.743 5.487 0.083 1.00 0.00 O ATOM 700 CB LYS A 62 94.391 7.124 2.415 1.00 0.00 C ATOM 701 CG LYS A 62 94.364 7.301 3.936 1.00 0.00 C ATOM 702 CD LYS A 62 95.785 7.190 4.489 1.00 0.00 C ATOM 703 CE LYS A 62 96.218 8.536 5.072 1.00 0.00 C ATOM 704 NZ LYS A 62 97.568 8.401 5.688 1.00 0.00 N ATOM 0 H LYS A 62 92.644 5.238 2.874 1.00 0.00 H new ATOM 0 HA LYS A 62 92.493 8.039 1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 62 94.930 6.213 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 62 94.925 7.954 1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 62 93.938 8.271 4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 62 93.726 6.543 4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 62 95.827 6.419 5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 62 96.471 6.888 3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 62 96.238 9.294 4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 62 95.498 8.869 5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 97.862 9.317 6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 97.534 7.690 6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 98.252 8.102 4.964 1.00 0.00 H new ATOM 718 N ASP A 63 93.305 7.590 -0.460 1.00 0.00 N ATOM 719 CA ASP A 63 93.384 7.309 -1.885 1.00 0.00 C ATOM 720 C ASP A 63 94.832 7.095 -2.308 1.00 0.00 C ATOM 721 O ASP A 63 95.675 7.933 -2.081 1.00 0.00 O ATOM 722 CB ASP A 63 92.776 8.459 -2.686 1.00 0.00 C ATOM 723 CG ASP A 63 91.257 8.448 -2.554 1.00 0.00 C ATOM 724 OD1 ASP A 63 90.734 7.464 -2.061 1.00 0.00 O ATOM 725 OD2 ASP A 63 90.642 9.425 -2.947 1.00 0.00 O ATOM 0 H ASP A 63 93.510 8.556 -0.206 1.00 0.00 H new ATOM 0 HA ASP A 63 92.821 6.398 -2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 63 93.172 9.410 -2.329 1.00 0.00 H new ATOM 0 HB3 ASP A 63 93.058 8.370 -3.735 1.00 0.00 H new ATOM 730 N ARG A 64 95.111 5.957 -2.910 1.00 0.00 N ATOM 731 CA ARG A 64 96.464 5.642 -3.365 1.00 0.00 C ATOM 732 C ARG A 64 96.839 6.511 -4.563 1.00 0.00 C ATOM 733 O ARG A 64 98.013 6.806 -4.788 1.00 0.00 O ATOM 734 CB ARG A 64 96.563 4.164 -3.750 1.00 0.00 C ATOM 735 CG ARG A 64 96.457 3.303 -2.489 1.00 0.00 C ATOM 736 CD ARG A 64 96.403 1.827 -2.883 1.00 0.00 C ATOM 737 NE ARG A 64 97.638 1.435 -3.551 1.00 0.00 N ATOM 738 CZ ARG A 64 98.719 1.099 -2.856 1.00 0.00 C ATOM 739 NH1 ARG A 64 99.813 0.753 -3.475 1.00 0.00 N ATOM 740 NH2 ARG A 64 98.685 1.117 -1.551 1.00 0.00 N ATOM 0 H ARG A 64 94.422 5.229 -3.099 1.00 0.00 H new ATOM 0 HA ARG A 64 97.157 5.846 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 64 95.768 3.905 -4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 64 97.508 3.971 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 64 97.312 3.486 -1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 64 95.564 3.573 -1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 64 96.251 1.212 -1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 64 95.553 1.651 -3.543 1.00 0.00 H new ATOM 0 HE ARG A 64 97.673 1.418 -4.570 1.00 0.00 H new ATOM 0 HH11 ARG A 64 99.840 0.740 -4.495 1.00 0.00 H new ATOM 0 HH12 ARG A 64 100.642 0.495 -2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 64 97.829 1.389 -1.067 1.00 0.00 H new ATOM 0 HH22 ARG A 64 99.514 0.859 -1.016 1.00 0.00 H new ATOM 754 N THR A 65 95.833 6.901 -5.342 1.00 0.00 N ATOM 755 CA THR A 65 96.068 7.729 -6.518 1.00 0.00 C ATOM 756 C THR A 65 96.318 9.179 -6.121 1.00 0.00 C ATOM 757 O THR A 65 97.036 9.906 -6.807 1.00 0.00 O ATOM 758 CB THR A 65 94.863 7.655 -7.459 1.00 0.00 C ATOM 759 OG1 THR A 65 93.709 8.137 -6.785 1.00 0.00 O ATOM 760 CG2 THR A 65 94.636 6.204 -7.886 1.00 0.00 C ATOM 0 H THR A 65 94.855 6.659 -5.181 1.00 0.00 H new ATOM 0 HA THR A 65 96.953 7.351 -7.029 1.00 0.00 H new ATOM 0 HB THR A 65 95.052 8.266 -8.341 1.00 0.00 H new ATOM 0 HG1 THR A 65 93.442 8.998 -7.169 1.00 0.00 H new ATOM 0 HG21 THR A 65 93.778 6.152 -8.556 1.00 0.00 H new ATOM 0 HG22 THR A 65 95.522 5.834 -8.402 1.00 0.00 H new ATOM 0 HG23 THR A 65 94.446 5.591 -7.005 1.00 0.00 H new ATOM 768 N SER A 66 95.713 9.595 -5.009 1.00 0.00 N ATOM 769 CA SER A 66 95.870 10.966 -4.530 1.00 0.00 C ATOM 770 C SER A 66 96.768 11.007 -3.300 1.00 0.00 C ATOM 771 O SER A 66 97.542 11.944 -3.114 1.00 0.00 O ATOM 772 CB SER A 66 94.505 11.560 -4.192 1.00 0.00 C ATOM 773 OG SER A 66 93.572 11.211 -5.209 1.00 0.00 O ATOM 0 H SER A 66 95.115 9.008 -4.428 1.00 0.00 H new ATOM 0 HA SER A 66 96.335 11.555 -5.320 1.00 0.00 H new ATOM 0 HB2 SER A 66 94.163 11.188 -3.226 1.00 0.00 H new ATOM 0 HB3 SER A 66 94.579 12.644 -4.107 1.00 0.00 H new ATOM 0 HG SER A 66 92.695 11.590 -4.992 1.00 0.00 H new ATOM 779 N GLY A 67 96.655 9.987 -2.465 1.00 0.00 N ATOM 780 CA GLY A 67 97.459 9.907 -1.248 1.00 0.00 C ATOM 781 C GLY A 67 96.853 10.761 -0.142 1.00 0.00 C ATOM 782 O GLY A 67 97.490 11.006 0.883 1.00 0.00 O ATOM 0 H GLY A 67 96.017 9.203 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 67 97.525 8.870 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 67 98.476 10.241 -1.456 1.00 0.00 H new ATOM 786 N ASN A 68 95.622 11.213 -0.363 1.00 0.00 N ATOM 787 CA ASN A 68 94.936 12.047 0.626 1.00 0.00 C ATOM 788 C ASN A 68 93.761 11.297 1.246 1.00 0.00 C ATOM 789 O ASN A 68 93.191 10.400 0.626 1.00 0.00 O ATOM 790 CB ASN A 68 94.435 13.330 -0.036 1.00 0.00 C ATOM 791 CG ASN A 68 95.612 14.130 -0.585 1.00 0.00 C ATOM 792 OD1 ASN A 68 96.661 14.212 0.054 1.00 0.00 O ATOM 793 ND2 ASN A 68 95.498 14.731 -1.738 1.00 0.00 N ATOM 0 H ASN A 68 95.082 11.020 -1.207 1.00 0.00 H new ATOM 0 HA ASN A 68 95.644 12.296 1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 68 93.743 13.086 -0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 68 93.883 13.930 0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 68 96.279 15.270 -2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 68 94.628 14.661 -2.266 1.00 0.00 H new ATOM 800 N VAL A 69 93.406 11.669 2.474 1.00 0.00 N ATOM 801 CA VAL A 69 92.298 11.027 3.165 1.00 0.00 C ATOM 802 C VAL A 69 90.966 11.467 2.566 1.00 0.00 C ATOM 803 O VAL A 69 90.661 12.658 2.520 1.00 0.00 O ATOM 804 CB VAL A 69 92.337 11.376 4.649 1.00 0.00 C ATOM 805 CG1 VAL A 69 93.656 10.900 5.254 1.00 0.00 C ATOM 806 CG2 VAL A 69 92.213 12.890 4.818 1.00 0.00 C ATOM 0 H VAL A 69 93.868 12.407 3.005 1.00 0.00 H new ATOM 0 HA VAL A 69 92.395 9.948 3.046 1.00 0.00 H new ATOM 0 HB VAL A 69 91.509 10.884 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 69 93.681 11.151 6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 69 93.742 9.820 5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 69 94.487 11.389 4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 69 92.241 13.141 5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 69 93.040 13.382 4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 69 91.269 13.228 4.390 1.00 0.00 H new ATOM 816 N GLU A 70 90.184 10.500 2.100 1.00 0.00 N ATOM 817 CA GLU A 70 88.889 10.799 1.500 1.00 0.00 C ATOM 818 C GLU A 70 87.763 10.599 2.507 1.00 0.00 C ATOM 819 O GLU A 70 86.805 11.372 2.544 1.00 0.00 O ATOM 820 CB GLU A 70 88.660 9.903 0.280 1.00 0.00 C ATOM 821 CG GLU A 70 87.356 10.304 -0.413 1.00 0.00 C ATOM 822 CD GLU A 70 87.262 9.628 -1.777 1.00 0.00 C ATOM 823 OE1 GLU A 70 88.203 8.943 -2.142 1.00 0.00 O ATOM 824 OE2 GLU A 70 86.248 9.800 -2.433 1.00 0.00 O ATOM 0 H GLU A 70 90.422 9.508 2.126 1.00 0.00 H new ATOM 0 HA GLU A 70 88.890 11.843 1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 70 89.496 9.995 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 70 88.614 8.858 0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 70 86.504 10.018 0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 70 87.315 11.387 -0.531 1.00 0.00 H new ATOM 831 N ASP A 71 87.880 9.546 3.310 1.00 0.00 N ATOM 832 CA ASP A 71 86.858 9.243 4.308 1.00 0.00 C ATOM 833 C ASP A 71 87.499 8.790 5.616 1.00 0.00 C ATOM 834 O ASP A 71 88.333 7.885 5.623 1.00 0.00 O ATOM 835 CB ASP A 71 85.928 8.147 3.782 1.00 0.00 C ATOM 836 CG ASP A 71 84.717 8.010 4.697 1.00 0.00 C ATOM 837 OD1 ASP A 71 84.561 8.845 5.571 1.00 0.00 O ATOM 838 OD2 ASP A 71 83.964 7.067 4.510 1.00 0.00 O ATOM 0 H ASP A 71 88.664 8.894 3.291 1.00 0.00 H new ATOM 0 HA ASP A 71 86.282 10.148 4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 71 85.604 8.388 2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 71 86.463 7.199 3.728 1.00 0.00 H new ATOM 843 N ASP A 72 87.104 9.421 6.720 1.00 0.00 N ATOM 844 CA ASP A 72 87.645 9.069 8.025 1.00 0.00 C ATOM 845 C ASP A 72 86.631 9.376 9.119 1.00 0.00 C ATOM 846 O ASP A 72 86.323 10.540 9.380 1.00 0.00 O ATOM 847 CB ASP A 72 88.939 9.838 8.278 1.00 0.00 C ATOM 848 CG ASP A 72 89.457 9.531 9.679 1.00 0.00 C ATOM 849 OD1 ASP A 72 89.096 10.253 10.593 1.00 0.00 O ATOM 850 OD2 ASP A 72 90.205 8.579 9.815 1.00 0.00 O ATOM 0 H ASP A 72 86.416 10.174 6.734 1.00 0.00 H new ATOM 0 HA ASP A 72 87.859 8.000 8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 72 89.688 9.563 7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 72 88.763 10.908 8.172 1.00 0.00 H new ATOM 855 N LEU A 73 86.104 8.332 9.758 1.00 0.00 N ATOM 856 CA LEU A 73 85.123 8.512 10.808 1.00 0.00 C ATOM 857 C LEU A 73 85.265 7.413 11.860 1.00 0.00 C ATOM 858 O LEU A 73 85.567 6.265 11.537 1.00 0.00 O ATOM 859 CB LEU A 73 83.710 8.476 10.212 1.00 0.00 C ATOM 860 CG LEU A 73 82.685 8.797 11.300 1.00 0.00 C ATOM 861 CD1 LEU A 73 82.891 10.227 11.804 1.00 0.00 C ATOM 862 CD2 LEU A 73 81.272 8.652 10.735 1.00 0.00 C ATOM 0 H LEU A 73 86.344 7.360 9.562 1.00 0.00 H new ATOM 0 HA LEU A 73 85.291 9.479 11.282 1.00 0.00 H new ATOM 0 HB2 LEU A 73 83.629 9.197 9.398 1.00 0.00 H new ATOM 0 HB3 LEU A 73 83.509 7.492 9.788 1.00 0.00 H new ATOM 0 HG LEU A 73 82.817 8.102 12.130 1.00 0.00 H new ATOM 0 HD11 LEU A 73 82.157 10.449 12.579 1.00 0.00 H new ATOM 0 HD12 LEU A 73 83.895 10.326 12.216 1.00 0.00 H new ATOM 0 HD13 LEU A 73 82.767 10.926 10.977 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.544 8.881 11.513 1.00 0.00 H new ATOM 0 HD22 LEU A 73 81.141 9.341 9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.122 7.630 10.388 1.00 0.00 H new ATOM 874 N ILE A 74 85.029 7.770 13.117 1.00 0.00 N ATOM 875 CA ILE A 74 85.115 6.812 14.208 1.00 0.00 C ATOM 876 C ILE A 74 83.932 5.854 14.182 1.00 0.00 C ATOM 877 O ILE A 74 82.805 6.254 13.888 1.00 0.00 O ATOM 878 CB ILE A 74 85.150 7.541 15.545 1.00 0.00 C ATOM 879 CG1 ILE A 74 86.495 8.253 15.710 1.00 0.00 C ATOM 880 CG2 ILE A 74 84.961 6.535 16.686 1.00 0.00 C ATOM 881 CD1 ILE A 74 86.428 9.207 16.905 1.00 0.00 C ATOM 0 H ILE A 74 84.777 8.716 13.404 1.00 0.00 H new ATOM 0 HA ILE A 74 86.033 6.238 14.083 1.00 0.00 H new ATOM 0 HB ILE A 74 84.346 8.276 15.573 1.00 0.00 H new ATOM 0 HG12 ILE A 74 87.289 7.522 15.860 1.00 0.00 H new ATOM 0 HG13 ILE A 74 86.739 8.807 14.803 1.00 0.00 H new ATOM 0 HG21 ILE A 74 84.986 7.059 17.641 1.00 0.00 H new ATOM 0 HG22 ILE A 74 84.000 6.033 16.573 1.00 0.00 H new ATOM 0 HG23 ILE A 74 85.762 5.796 16.656 1.00 0.00 H new ATOM 0 HD11 ILE A 74 87.386 9.713 17.021 1.00 0.00 H new ATOM 0 HD12 ILE A 74 85.645 9.947 16.737 1.00 0.00 H new ATOM 0 HD13 ILE A 74 86.204 8.642 17.810 1.00 0.00 H new ATOM 893 N ILE A 75 84.196 4.587 14.486 1.00 0.00 N ATOM 894 CA ILE A 75 83.150 3.572 14.501 1.00 0.00 C ATOM 895 C ILE A 75 83.030 2.933 15.880 1.00 0.00 C ATOM 896 O ILE A 75 84.008 2.405 16.424 1.00 0.00 O ATOM 897 CB ILE A 75 83.450 2.493 13.463 1.00 0.00 C ATOM 898 CG1 ILE A 75 83.368 3.095 12.057 1.00 0.00 C ATOM 899 CG2 ILE A 75 82.438 1.360 13.596 1.00 0.00 C ATOM 900 CD1 ILE A 75 83.896 2.085 11.037 1.00 0.00 C ATOM 0 H ILE A 75 85.125 4.240 14.725 1.00 0.00 H new ATOM 0 HA ILE A 75 82.205 4.058 14.258 1.00 0.00 H new ATOM 0 HB ILE A 75 84.454 2.101 13.629 1.00 0.00 H new ATOM 0 HG12 ILE A 75 82.337 3.359 11.823 1.00 0.00 H new ATOM 0 HG13 ILE A 75 83.951 4.015 12.009 1.00 0.00 H new ATOM 0 HG21 ILE A 75 82.654 0.591 12.854 1.00 0.00 H new ATOM 0 HG22 ILE A 75 82.503 0.929 14.595 1.00 0.00 H new ATOM 0 HG23 ILE A 75 81.433 1.749 13.434 1.00 0.00 H new ATOM 0 HD11 ILE A 75 83.837 2.514 10.037 1.00 0.00 H new ATOM 0 HD12 ILE A 75 84.933 1.843 11.268 1.00 0.00 H new ATOM 0 HD13 ILE A 75 83.294 1.177 11.079 1.00 0.00 H new ATOM 912 N PHE A 76 81.817 2.976 16.435 1.00 0.00 N ATOM 913 CA PHE A 76 81.580 2.396 17.741 1.00 0.00 C ATOM 914 C PHE A 76 81.178 0.924 17.595 1.00 0.00 C ATOM 915 O PHE A 76 80.440 0.583 16.674 1.00 0.00 O ATOM 916 CB PHE A 76 80.473 3.147 18.473 1.00 0.00 C ATOM 917 CG PHE A 76 80.869 4.596 18.596 1.00 0.00 C ATOM 918 CD1 PHE A 76 80.715 5.451 17.499 1.00 0.00 C ATOM 919 CD2 PHE A 76 81.383 5.087 19.801 1.00 0.00 C ATOM 920 CE1 PHE A 76 81.078 6.798 17.606 1.00 0.00 C ATOM 921 CE2 PHE A 76 81.746 6.435 19.908 1.00 0.00 C ATOM 922 CZ PHE A 76 81.592 7.291 18.810 1.00 0.00 C ATOM 0 H PHE A 76 80.999 3.403 16.000 1.00 0.00 H new ATOM 0 HA PHE A 76 82.501 2.471 18.318 1.00 0.00 H new ATOM 0 HB2 PHE A 76 79.533 3.058 17.929 1.00 0.00 H new ATOM 0 HB3 PHE A 76 80.312 2.714 19.461 1.00 0.00 H new ATOM 0 HD1 PHE A 76 80.316 5.071 16.570 1.00 0.00 H new ATOM 0 HD2 PHE A 76 81.500 4.427 20.648 1.00 0.00 H new ATOM 0 HE1 PHE A 76 80.961 7.457 16.759 1.00 0.00 H new ATOM 0 HE2 PHE A 76 82.145 6.815 20.837 1.00 0.00 H new ATOM 0 HZ PHE A 76 81.870 8.331 18.893 1.00 0.00 H new ATOM 932 N PRO A 77 81.635 0.071 18.479 1.00 0.00 N ATOM 933 CA PRO A 77 81.305 -1.385 18.450 1.00 0.00 C ATOM 934 C PRO A 77 79.821 -1.645 18.214 1.00 0.00 C ATOM 935 O PRO A 77 79.101 -2.017 19.138 1.00 0.00 O ATOM 936 CB PRO A 77 81.728 -1.872 19.841 1.00 0.00 C ATOM 937 CG PRO A 77 82.771 -0.917 20.307 1.00 0.00 C ATOM 938 CD PRO A 77 82.527 0.401 19.597 1.00 0.00 C ATOM 0 HA PRO A 77 81.809 -1.901 17.633 1.00 0.00 H new ATOM 0 HB2 PRO A 77 80.879 -1.888 20.524 1.00 0.00 H new ATOM 0 HB3 PRO A 77 82.120 -2.888 19.797 1.00 0.00 H new ATOM 0 HG2 PRO A 77 82.717 -0.787 21.388 1.00 0.00 H new ATOM 0 HG3 PRO A 77 83.768 -1.296 20.081 1.00 0.00 H new ATOM 0 HD2 PRO A 77 82.069 1.130 20.265 1.00 0.00 H new ATOM 0 HD3 PRO A 77 83.461 0.837 19.242 1.00 0.00 H new ATOM 946 N ASP A 78 79.377 -1.446 16.976 1.00 0.00 N ATOM 947 CA ASP A 78 77.978 -1.655 16.625 1.00 0.00 C ATOM 948 C ASP A 78 77.609 -0.864 15.374 1.00 0.00 C ATOM 949 O ASP A 78 76.808 -1.317 14.557 1.00 0.00 O ATOM 950 CB ASP A 78 77.070 -1.221 17.780 1.00 0.00 C ATOM 951 CG ASP A 78 75.730 -0.745 17.243 1.00 0.00 C ATOM 952 OD1 ASP A 78 75.610 0.438 16.974 1.00 0.00 O ATOM 953 OD2 ASP A 78 74.841 -1.570 17.118 1.00 0.00 O ATOM 0 H ASP A 78 79.966 -1.141 16.201 1.00 0.00 H new ATOM 0 HA ASP A 78 77.837 -2.718 16.429 1.00 0.00 H new ATOM 0 HB2 ASP A 78 76.920 -2.054 18.467 1.00 0.00 H new ATOM 0 HB3 ASP A 78 77.547 -0.422 18.347 1.00 0.00 H new ATOM 958 N ASP A 79 78.190 0.323 15.235 1.00 0.00 N ATOM 959 CA ASP A 79 77.903 1.172 14.086 1.00 0.00 C ATOM 960 C ASP A 79 78.732 0.753 12.881 1.00 0.00 C ATOM 961 O ASP A 79 79.793 1.320 12.620 1.00 0.00 O ATOM 962 CB ASP A 79 78.205 2.634 14.431 1.00 0.00 C ATOM 963 CG ASP A 79 77.816 3.536 13.267 1.00 0.00 C ATOM 964 OD1 ASP A 79 77.584 3.014 12.189 1.00 0.00 O ATOM 965 OD2 ASP A 79 77.748 4.738 13.470 1.00 0.00 O ATOM 0 H ASP A 79 78.857 0.716 15.899 1.00 0.00 H new ATOM 0 HA ASP A 79 76.847 1.064 13.837 1.00 0.00 H new ATOM 0 HB2 ASP A 79 77.656 2.926 15.327 1.00 0.00 H new ATOM 0 HB3 ASP A 79 79.265 2.752 14.654 1.00 0.00 H new ATOM 970 N CYS A 80 78.240 -0.242 12.146 1.00 0.00 N ATOM 971 CA CYS A 80 78.939 -0.731 10.967 1.00 0.00 C ATOM 972 C CYS A 80 78.427 -2.107 10.570 1.00 0.00 C ATOM 973 O CYS A 80 78.776 -3.111 11.192 1.00 0.00 O ATOM 974 CB CYS A 80 80.441 -0.803 11.241 1.00 0.00 C ATOM 975 SG CYS A 80 81.160 -2.182 10.317 1.00 0.00 S ATOM 0 H CYS A 80 77.363 -0.722 12.348 1.00 0.00 H new ATOM 0 HA CYS A 80 78.752 -0.038 10.147 1.00 0.00 H new ATOM 0 HB2 CYS A 80 80.919 0.132 10.950 1.00 0.00 H new ATOM 0 HB3 CYS A 80 80.621 -0.934 12.308 1.00 0.00 H new ATOM 0 HG CYS A 80 80.440 -3.249 10.499 1.00 0.00 H new ATOM 981 N GLU A 81 77.598 -2.148 9.532 1.00 0.00 N ATOM 982 CA GLU A 81 77.045 -3.416 9.062 1.00 0.00 C ATOM 983 C GLU A 81 77.713 -3.838 7.757 1.00 0.00 C ATOM 984 O GLU A 81 77.767 -3.066 6.801 1.00 0.00 O ATOM 985 CB GLU A 81 75.537 -3.282 8.849 1.00 0.00 C ATOM 986 CG GLU A 81 74.951 -4.639 8.454 1.00 0.00 C ATOM 987 CD GLU A 81 73.439 -4.529 8.296 1.00 0.00 C ATOM 988 OE1 GLU A 81 72.919 -3.448 8.515 1.00 0.00 O ATOM 989 OE2 GLU A 81 72.825 -5.526 7.957 1.00 0.00 O ATOM 0 H GLU A 81 77.296 -1.329 9.005 1.00 0.00 H new ATOM 0 HA GLU A 81 77.236 -4.178 9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 81 75.062 -2.921 9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 81 75.334 -2.546 8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 81 75.398 -4.979 7.520 1.00 0.00 H new ATOM 0 HG3 GLU A 81 75.192 -5.383 9.213 1.00 0.00 H new ATOM 996 N PHE A 82 78.214 -5.071 7.725 1.00 0.00 N ATOM 997 CA PHE A 82 78.873 -5.586 6.529 1.00 0.00 C ATOM 998 C PHE A 82 78.023 -6.674 5.881 1.00 0.00 C ATOM 999 O PHE A 82 77.421 -7.500 6.569 1.00 0.00 O ATOM 1000 CB PHE A 82 80.243 -6.158 6.897 1.00 0.00 C ATOM 1001 CG PHE A 82 80.072 -7.286 7.887 1.00 0.00 C ATOM 1002 CD1 PHE A 82 79.943 -8.603 7.431 1.00 0.00 C ATOM 1003 CD2 PHE A 82 80.040 -7.013 9.260 1.00 0.00 C ATOM 1004 CE1 PHE A 82 79.782 -9.649 8.348 1.00 0.00 C ATOM 1005 CE2 PHE A 82 79.881 -8.059 10.177 1.00 0.00 C ATOM 1006 CZ PHE A 82 79.751 -9.377 9.721 1.00 0.00 C ATOM 0 H PHE A 82 78.177 -5.726 8.506 1.00 0.00 H new ATOM 0 HA PHE A 82 78.999 -4.767 5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 82 80.750 -6.520 6.002 1.00 0.00 H new ATOM 0 HB3 PHE A 82 80.871 -5.377 7.325 1.00 0.00 H new ATOM 0 HD1 PHE A 82 79.968 -8.813 6.372 1.00 0.00 H new ATOM 0 HD2 PHE A 82 80.138 -5.996 9.611 1.00 0.00 H new ATOM 0 HE1 PHE A 82 79.682 -10.665 7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 82 79.859 -7.850 11.236 1.00 0.00 H new ATOM 0 HZ PHE A 82 79.627 -10.183 10.429 1.00 0.00 H new ATOM 1016 N LYS A 83 77.976 -6.666 4.552 1.00 0.00 N ATOM 1017 CA LYS A 83 77.199 -7.650 3.814 1.00 0.00 C ATOM 1018 C LYS A 83 77.956 -8.137 2.590 1.00 0.00 C ATOM 1019 O LYS A 83 78.916 -7.506 2.154 1.00 0.00 O ATOM 1020 CB LYS A 83 75.857 -7.058 3.392 1.00 0.00 C ATOM 1021 CG LYS A 83 74.996 -6.795 4.629 1.00 0.00 C ATOM 1022 CD LYS A 83 73.583 -6.386 4.199 1.00 0.00 C ATOM 1023 CE LYS A 83 73.600 -4.960 3.642 1.00 0.00 C ATOM 1024 NZ LYS A 83 72.205 -4.477 3.475 1.00 0.00 N ATOM 0 H LYS A 83 78.467 -5.989 3.967 1.00 0.00 H new ATOM 0 HA LYS A 83 77.024 -8.501 4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 83 76.015 -6.130 2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 83 75.342 -7.743 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 83 74.953 -7.690 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 83 75.444 -6.008 5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 83 73.209 -7.077 3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 83 72.903 -6.446 5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 83 74.146 -4.301 4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 83 74.121 -4.938 2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 72.157 -3.827 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 71.575 -5.287 3.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 71.905 -3.978 4.337 1.00 0.00 H new ATOM 1038 N ARG A 84 77.529 -9.274 2.047 1.00 0.00 N ATOM 1039 CA ARG A 84 78.182 -9.842 0.874 1.00 0.00 C ATOM 1040 C ARG A 84 77.208 -9.911 -0.297 1.00 0.00 C ATOM 1041 O ARG A 84 76.037 -10.238 -0.117 1.00 0.00 O ATOM 1042 CB ARG A 84 78.696 -11.248 1.196 1.00 0.00 C ATOM 1043 CG ARG A 84 79.791 -11.161 2.259 1.00 0.00 C ATOM 1044 CD ARG A 84 80.285 -12.568 2.603 1.00 0.00 C ATOM 1045 NE ARG A 84 81.266 -12.511 3.681 1.00 0.00 N ATOM 1046 CZ ARG A 84 81.825 -13.617 4.161 1.00 0.00 C ATOM 1047 NH1 ARG A 84 82.697 -13.540 5.128 1.00 0.00 N ATOM 1048 NH2 ARG A 84 81.500 -14.780 3.667 1.00 0.00 N ATOM 0 H ARG A 84 76.739 -9.816 2.398 1.00 0.00 H new ATOM 0 HA ARG A 84 79.020 -9.202 0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 84 77.877 -11.873 1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 84 79.087 -11.719 0.294 1.00 0.00 H new ATOM 0 HG2 ARG A 84 80.619 -10.553 1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 84 79.406 -10.671 3.153 1.00 0.00 H new ATOM 0 HD2 ARG A 84 79.443 -13.194 2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 84 80.730 -13.030 1.722 1.00 0.00 H new ATOM 0 HE ARG A 84 81.528 -11.606 4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 84 82.950 -12.631 5.516 1.00 0.00 H new ATOM 0 HH12 ARG A 84 83.126 -14.389 5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 84 80.817 -14.841 2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 84 81.929 -15.629 4.036 1.00 0.00 H new ATOM 1062 N VAL A 85 77.709 -9.609 -1.494 1.00 0.00 N ATOM 1063 CA VAL A 85 76.884 -9.654 -2.695 1.00 0.00 C ATOM 1064 C VAL A 85 77.393 -10.739 -3.646 1.00 0.00 C ATOM 1065 O VAL A 85 78.249 -10.478 -4.496 1.00 0.00 O ATOM 1066 CB VAL A 85 76.897 -8.305 -3.399 1.00 0.00 C ATOM 1067 CG1 VAL A 85 75.800 -7.419 -2.803 1.00 0.00 C ATOM 1068 CG2 VAL A 85 78.255 -7.640 -3.193 1.00 0.00 C ATOM 0 H VAL A 85 78.677 -9.332 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 85 75.861 -9.889 -2.401 1.00 0.00 H new ATOM 0 HB VAL A 85 76.719 -8.443 -4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 85 75.803 -6.450 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 85 74.830 -7.897 -2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 85 75.984 -7.278 -1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 85 78.267 -6.673 -3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 85 78.432 -7.496 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 85 79.038 -8.275 -3.608 1.00 0.00 H new ATOM 1078 N PRO A 86 76.890 -11.942 -3.519 1.00 0.00 N ATOM 1079 CA PRO A 86 77.311 -13.083 -4.379 1.00 0.00 C ATOM 1080 C PRO A 86 77.260 -12.733 -5.863 1.00 0.00 C ATOM 1081 O PRO A 86 76.186 -12.702 -6.464 1.00 0.00 O ATOM 1082 CB PRO A 86 76.289 -14.174 -4.042 1.00 0.00 C ATOM 1083 CG PRO A 86 75.809 -13.855 -2.666 1.00 0.00 C ATOM 1084 CD PRO A 86 75.874 -12.344 -2.537 1.00 0.00 C ATOM 0 HA PRO A 86 78.343 -13.381 -4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 86 75.465 -14.174 -4.755 1.00 0.00 H new ATOM 0 HB3 PRO A 86 76.744 -15.164 -4.080 1.00 0.00 H new ATOM 0 HG2 PRO A 86 74.792 -14.216 -2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 86 76.433 -14.338 -1.914 1.00 0.00 H new ATOM 0 HD2 PRO A 86 74.909 -11.884 -2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 86 76.154 -12.042 -1.528 1.00 0.00 H new ATOM 1092 N GLN A 87 78.430 -12.487 -6.446 1.00 0.00 N ATOM 1093 CA GLN A 87 78.514 -12.155 -7.863 1.00 0.00 C ATOM 1094 C GLN A 87 79.237 -13.254 -8.631 1.00 0.00 C ATOM 1095 O GLN A 87 78.834 -13.618 -9.737 1.00 0.00 O ATOM 1096 CB GLN A 87 79.254 -10.830 -8.048 1.00 0.00 C ATOM 1097 CG GLN A 87 80.389 -10.732 -7.028 1.00 0.00 C ATOM 1098 CD GLN A 87 81.502 -9.842 -7.570 1.00 0.00 C ATOM 1099 OE1 GLN A 87 81.286 -9.081 -8.512 1.00 0.00 O ATOM 1100 NE2 GLN A 87 82.687 -9.900 -7.031 1.00 0.00 N ATOM 0 H GLN A 87 79.327 -12.511 -5.962 1.00 0.00 H new ATOM 0 HA GLN A 87 77.500 -12.062 -8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 87 79.654 -10.763 -9.060 1.00 0.00 H new ATOM 0 HB3 GLN A 87 78.564 -9.995 -7.922 1.00 0.00 H new ATOM 0 HG2 GLN A 87 80.012 -10.326 -6.090 1.00 0.00 H new ATOM 0 HG3 GLN A 87 80.780 -11.726 -6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 87 82.862 -10.532 -6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 87 83.440 -9.313 -7.390 1.00 0.00 H new ATOM 1109 N CYS A 88 80.311 -13.773 -8.037 1.00 0.00 N ATOM 1110 CA CYS A 88 81.082 -14.816 -8.676 1.00 0.00 C ATOM 1111 C CYS A 88 81.419 -15.934 -7.676 1.00 0.00 C ATOM 1112 O CYS A 88 81.933 -15.662 -6.592 1.00 0.00 O ATOM 1113 CB CYS A 88 82.369 -14.255 -9.265 1.00 0.00 C ATOM 1114 SG CYS A 88 83.302 -15.583 -10.076 1.00 0.00 S ATOM 0 H CYS A 88 80.658 -13.485 -7.122 1.00 0.00 H new ATOM 0 HA CYS A 88 80.475 -15.230 -9.481 1.00 0.00 H new ATOM 0 HB2 CYS A 88 82.139 -13.468 -9.984 1.00 0.00 H new ATOM 0 HB3 CYS A 88 82.972 -13.802 -8.479 1.00 0.00 H new ATOM 0 HG CYS A 88 84.398 -15.098 -10.579 1.00 0.00 H new ATOM 1120 N PRO A 89 81.157 -17.167 -8.018 1.00 0.00 N ATOM 1121 CA PRO A 89 81.457 -18.327 -7.131 1.00 0.00 C ATOM 1122 C PRO A 89 82.879 -18.272 -6.574 1.00 0.00 C ATOM 1123 O PRO A 89 83.128 -18.693 -5.444 1.00 0.00 O ATOM 1124 CB PRO A 89 81.291 -19.531 -8.062 1.00 0.00 C ATOM 1125 CG PRO A 89 80.348 -19.088 -9.126 1.00 0.00 C ATOM 1126 CD PRO A 89 80.536 -17.594 -9.281 1.00 0.00 C ATOM 0 HA PRO A 89 80.809 -18.356 -6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 89 82.248 -19.832 -8.487 1.00 0.00 H new ATOM 0 HB3 PRO A 89 80.897 -20.392 -7.523 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.554 -19.603 -10.064 1.00 0.00 H new ATOM 0 HG3 PRO A 89 79.319 -19.322 -8.853 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.172 -17.361 -10.135 1.00 0.00 H new ATOM 0 HD3 PRO A 89 79.584 -17.089 -9.446 1.00 0.00 H new ATOM 1134 N SER A 90 83.809 -17.762 -7.376 1.00 0.00 N ATOM 1135 CA SER A 90 85.201 -17.664 -6.950 1.00 0.00 C ATOM 1136 C SER A 90 85.547 -16.230 -6.555 1.00 0.00 C ATOM 1137 O SER A 90 86.666 -15.946 -6.128 1.00 0.00 O ATOM 1138 CB SER A 90 86.122 -18.119 -8.080 1.00 0.00 C ATOM 1139 OG SER A 90 85.820 -19.466 -8.416 1.00 0.00 O ATOM 0 H SER A 90 83.626 -17.413 -8.317 1.00 0.00 H new ATOM 0 HA SER A 90 85.341 -18.308 -6.082 1.00 0.00 H new ATOM 0 HB2 SER A 90 85.993 -17.477 -8.951 1.00 0.00 H new ATOM 0 HB3 SER A 90 87.164 -18.033 -7.772 1.00 0.00 H new ATOM 0 HG SER A 90 86.408 -19.762 -9.142 1.00 0.00 H new ATOM 1145 N GLY A 91 84.581 -15.330 -6.706 1.00 0.00 N ATOM 1146 CA GLY A 91 84.797 -13.929 -6.365 1.00 0.00 C ATOM 1147 C GLY A 91 83.581 -13.344 -5.656 1.00 0.00 C ATOM 1148 O GLY A 91 82.456 -13.458 -6.138 1.00 0.00 O ATOM 0 H GLY A 91 83.648 -15.543 -7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 91 85.674 -13.838 -5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 91 85.003 -13.359 -7.271 1.00 0.00 H new ATOM 1152 N ARG A 92 83.816 -12.704 -4.518 1.00 0.00 N ATOM 1153 CA ARG A 92 82.731 -12.096 -3.757 1.00 0.00 C ATOM 1154 C ARG A 92 83.088 -10.666 -3.366 1.00 0.00 C ATOM 1155 O ARG A 92 84.197 -10.397 -2.907 1.00 0.00 O ATOM 1156 CB ARG A 92 82.453 -12.923 -2.499 1.00 0.00 C ATOM 1157 CG ARG A 92 82.025 -14.337 -2.900 1.00 0.00 C ATOM 1158 CD ARG A 92 81.691 -15.144 -1.645 1.00 0.00 C ATOM 1159 NE ARG A 92 80.494 -14.610 -1.006 1.00 0.00 N ATOM 1160 CZ ARG A 92 80.102 -15.040 0.189 1.00 0.00 C ATOM 1161 NH1 ARG A 92 79.027 -14.546 0.740 1.00 0.00 N ATOM 1162 NH2 ARG A 92 80.793 -15.956 0.812 1.00 0.00 N ATOM 0 H ARG A 92 84.741 -12.592 -4.103 1.00 0.00 H new ATOM 0 HA ARG A 92 81.837 -12.074 -4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 92 83.345 -12.965 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 92 81.671 -12.450 -1.906 1.00 0.00 H new ATOM 0 HG2 ARG A 92 81.157 -14.293 -3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 92 82.824 -14.826 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 92 81.536 -16.190 -1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 92 82.529 -15.111 -0.949 1.00 0.00 H new ATOM 0 HE ARG A 92 79.948 -13.894 -1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 92 78.488 -13.830 0.254 1.00 0.00 H new ATOM 0 HH12 ARG A 92 78.726 -14.876 1.657 1.00 0.00 H new ATOM 0 HH21 ARG A 92 81.634 -16.342 0.382 1.00 0.00 H new ATOM 0 HH22 ARG A 92 80.492 -16.286 1.729 1.00 0.00 H new ATOM 1176 N VAL A 93 82.137 -9.758 -3.541 1.00 0.00 N ATOM 1177 CA VAL A 93 82.352 -8.357 -3.197 1.00 0.00 C ATOM 1178 C VAL A 93 81.809 -8.052 -1.808 1.00 0.00 C ATOM 1179 O VAL A 93 80.780 -8.590 -1.401 1.00 0.00 O ATOM 1180 CB VAL A 93 81.672 -7.454 -4.228 1.00 0.00 C ATOM 1181 CG1 VAL A 93 81.478 -6.056 -3.637 1.00 0.00 C ATOM 1182 CG2 VAL A 93 82.545 -7.355 -5.481 1.00 0.00 C ATOM 0 H VAL A 93 81.212 -9.964 -3.918 1.00 0.00 H new ATOM 0 HA VAL A 93 83.425 -8.165 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 93 80.703 -7.878 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 93 80.994 -5.414 -4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 93 80.854 -6.121 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 93 82.448 -5.636 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 93 82.058 -6.711 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 93 83.515 -6.935 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 93 82.684 -8.349 -5.907 1.00 0.00 H new ATOM 1192 N TYR A 94 82.510 -7.180 -1.084 1.00 0.00 N ATOM 1193 CA TYR A 94 82.087 -6.805 0.261 1.00 0.00 C ATOM 1194 C TYR A 94 81.528 -5.390 0.267 1.00 0.00 C ATOM 1195 O TYR A 94 82.044 -4.506 -0.424 1.00 0.00 O ATOM 1196 CB TYR A 94 83.272 -6.892 1.223 1.00 0.00 C ATOM 1197 CG TYR A 94 83.703 -8.333 1.359 1.00 0.00 C ATOM 1198 CD1 TYR A 94 84.621 -8.876 0.452 1.00 0.00 C ATOM 1199 CD2 TYR A 94 83.189 -9.122 2.393 1.00 0.00 C ATOM 1200 CE1 TYR A 94 85.023 -10.211 0.578 1.00 0.00 C ATOM 1201 CE2 TYR A 94 83.591 -10.458 2.520 1.00 0.00 C ATOM 1202 CZ TYR A 94 84.507 -11.002 1.612 1.00 0.00 C ATOM 1203 OH TYR A 94 84.903 -12.318 1.737 1.00 0.00 O ATOM 0 H TYR A 94 83.365 -6.725 -1.404 1.00 0.00 H new ATOM 0 HA TYR A 94 81.307 -7.494 0.584 1.00 0.00 H new ATOM 0 HB2 TYR A 94 84.100 -6.287 0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 94 82.994 -6.491 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 94 85.019 -8.265 -0.345 1.00 0.00 H new ATOM 0 HD2 TYR A 94 82.482 -8.702 3.093 1.00 0.00 H new ATOM 0 HE1 TYR A 94 85.731 -10.631 -0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 94 83.194 -11.068 3.318 1.00 0.00 H new ATOM 0 HH TYR A 94 84.452 -12.724 2.507 1.00 0.00 H new ATOM 1213 N VAL A 95 80.464 -5.181 1.049 1.00 0.00 N ATOM 1214 CA VAL A 95 79.843 -3.866 1.132 1.00 0.00 C ATOM 1215 C VAL A 95 79.699 -3.430 2.585 1.00 0.00 C ATOM 1216 O VAL A 95 79.336 -4.228 3.448 1.00 0.00 O ATOM 1217 CB VAL A 95 78.467 -3.897 0.464 1.00 0.00 C ATOM 1218 CG1 VAL A 95 77.706 -5.138 0.928 1.00 0.00 C ATOM 1219 CG2 VAL A 95 77.681 -2.644 0.864 1.00 0.00 C ATOM 0 H VAL A 95 80.023 -5.899 1.625 1.00 0.00 H new ATOM 0 HA VAL A 95 80.481 -3.150 0.615 1.00 0.00 H new ATOM 0 HB VAL A 95 78.588 -3.925 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 95 76.725 -5.162 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 95 78.265 -6.032 0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 95 77.584 -5.106 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 95 76.700 -2.663 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 95 77.560 -2.621 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 95 78.223 -1.756 0.540 1.00 0.00 H new ATOM 1229 N LEU A 96 79.983 -2.156 2.848 1.00 0.00 N ATOM 1230 CA LEU A 96 79.873 -1.621 4.199 1.00 0.00 C ATOM 1231 C LEU A 96 78.734 -0.618 4.285 1.00 0.00 C ATOM 1232 O LEU A 96 78.640 0.297 3.464 1.00 0.00 O ATOM 1233 CB LEU A 96 81.184 -0.944 4.603 1.00 0.00 C ATOM 1234 CG LEU A 96 82.102 -1.967 5.276 1.00 0.00 C ATOM 1235 CD1 LEU A 96 83.553 -1.491 5.186 1.00 0.00 C ATOM 1236 CD2 LEU A 96 81.708 -2.107 6.752 1.00 0.00 C ATOM 0 H LEU A 96 80.289 -1.481 2.147 1.00 0.00 H new ATOM 0 HA LEU A 96 79.667 -2.447 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 96 81.674 -0.523 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 96 80.983 -0.117 5.284 1.00 0.00 H new ATOM 0 HG LEU A 96 82.002 -2.929 4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 96 84.206 -2.220 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 96 83.836 -1.384 4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 96 83.652 -0.529 5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 96 82.360 -2.835 7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 96 81.810 -1.142 7.249 1.00 0.00 H new ATOM 0 HD23 LEU A 96 80.674 -2.443 6.822 1.00 0.00 H new ATOM 1248 N LYS A 97 77.872 -0.791 5.286 1.00 0.00 N ATOM 1249 CA LYS A 97 76.745 0.111 5.473 1.00 0.00 C ATOM 1250 C LYS A 97 76.884 0.890 6.773 1.00 0.00 C ATOM 1251 O LYS A 97 76.880 0.311 7.858 1.00 0.00 O ATOM 1252 CB LYS A 97 75.434 -0.677 5.485 1.00 0.00 C ATOM 1253 CG LYS A 97 74.938 -0.892 4.052 1.00 0.00 C ATOM 1254 CD LYS A 97 73.530 -1.480 4.080 1.00 0.00 C ATOM 1255 CE LYS A 97 72.502 -0.347 4.121 1.00 0.00 C ATOM 1256 NZ LYS A 97 71.129 -0.923 4.169 1.00 0.00 N ATOM 0 H LYS A 97 77.934 -1.542 5.973 1.00 0.00 H new ATOM 0 HA LYS A 97 76.735 0.817 4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 97 75.583 -1.639 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 97 74.682 -0.139 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 97 74.937 0.054 3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 97 75.613 -1.563 3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 97 73.367 -2.101 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 97 73.411 -2.124 4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 97 72.674 0.283 4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 97 72.611 0.289 3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 70.430 -0.153 4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 70.968 -1.507 3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 71.029 -1.512 5.020 1.00 0.00 H new ATOM 1270 N PHE A 98 76.993 2.211 6.656 1.00 0.00 N ATOM 1271 CA PHE A 98 77.126 3.058 7.837 1.00 0.00 C ATOM 1272 C PHE A 98 75.754 3.484 8.333 1.00 0.00 C ATOM 1273 O PHE A 98 75.021 4.164 7.634 1.00 0.00 O ATOM 1274 CB PHE A 98 77.955 4.300 7.497 1.00 0.00 C ATOM 1275 CG PHE A 98 79.373 3.886 7.181 1.00 0.00 C ATOM 1276 CD1 PHE A 98 79.724 3.536 5.872 1.00 0.00 C ATOM 1277 CD2 PHE A 98 80.335 3.855 8.196 1.00 0.00 C ATOM 1278 CE1 PHE A 98 81.037 3.152 5.578 1.00 0.00 C ATOM 1279 CE2 PHE A 98 81.648 3.471 7.903 1.00 0.00 C ATOM 1280 CZ PHE A 98 82.001 3.120 6.594 1.00 0.00 C ATOM 0 H PHE A 98 76.992 2.712 5.768 1.00 0.00 H new ATOM 0 HA PHE A 98 77.629 2.490 8.620 1.00 0.00 H new ATOM 0 HB2 PHE A 98 77.518 4.820 6.645 1.00 0.00 H new ATOM 0 HB3 PHE A 98 77.946 4.997 8.335 1.00 0.00 H new ATOM 0 HD1 PHE A 98 78.981 3.562 5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 98 80.064 4.127 9.205 1.00 0.00 H new ATOM 0 HE1 PHE A 98 81.307 2.880 4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 98 82.390 3.445 8.687 1.00 0.00 H new ATOM 0 HZ PHE A 98 83.015 2.825 6.368 1.00 0.00 H new ATOM 1290 N LYS A 99 75.414 3.076 9.547 1.00 0.00 N ATOM 1291 CA LYS A 99 74.117 3.419 10.125 1.00 0.00 C ATOM 1292 C LYS A 99 74.001 4.929 10.317 1.00 0.00 C ATOM 1293 O LYS A 99 72.898 5.469 10.412 1.00 0.00 O ATOM 1294 CB LYS A 99 73.942 2.717 11.474 1.00 0.00 C ATOM 1295 CG LYS A 99 73.866 1.205 11.254 1.00 0.00 C ATOM 1296 CD LYS A 99 73.627 0.504 12.593 1.00 0.00 C ATOM 1297 CE LYS A 99 73.541 -1.007 12.370 1.00 0.00 C ATOM 1298 NZ LYS A 99 73.294 -1.688 13.672 1.00 0.00 N ATOM 0 H LYS A 99 76.012 2.511 10.150 1.00 0.00 H new ATOM 0 HA LYS A 99 73.336 3.088 9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 99 74.776 2.958 12.133 1.00 0.00 H new ATOM 0 HB3 LYS A 99 73.035 3.070 11.965 1.00 0.00 H new ATOM 0 HG2 LYS A 99 73.060 0.968 10.559 1.00 0.00 H new ATOM 0 HG3 LYS A 99 74.791 0.846 10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 99 74.436 0.735 13.286 1.00 0.00 H new ATOM 0 HD3 LYS A 99 72.705 0.868 13.047 1.00 0.00 H new ATOM 0 HE2 LYS A 99 72.738 -1.237 11.669 1.00 0.00 H new ATOM 0 HE3 LYS A 99 74.467 -1.373 11.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 73.235 -2.715 13.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 74.074 -1.478 14.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 72.400 -1.346 14.078 1.00 0.00 H new ATOM 1312 N ALA A 100 75.145 5.602 10.393 1.00 0.00 N ATOM 1313 CA ALA A 100 75.153 7.048 10.580 1.00 0.00 C ATOM 1314 C ALA A 100 74.816 7.772 9.282 1.00 0.00 C ATOM 1315 O ALA A 100 74.248 8.863 9.302 1.00 0.00 O ATOM 1316 CB ALA A 100 76.533 7.497 11.068 1.00 0.00 C ATOM 0 H ALA A 100 76.069 5.175 10.329 1.00 0.00 H new ATOM 0 HA ALA A 100 74.395 7.299 11.322 1.00 0.00 H new ATOM 0 HB1 ALA A 100 76.536 8.578 11.207 1.00 0.00 H new ATOM 0 HB2 ALA A 100 76.760 7.009 12.016 1.00 0.00 H new ATOM 0 HB3 ALA A 100 77.287 7.224 10.329 1.00 0.00 H new ATOM 1322 N GLY A 101 75.174 7.158 8.157 1.00 0.00 N ATOM 1323 CA GLY A 101 74.910 7.755 6.852 1.00 0.00 C ATOM 1324 C GLY A 101 74.011 6.859 6.008 1.00 0.00 C ATOM 1325 O GLY A 101 73.664 7.200 4.879 1.00 0.00 O ATOM 0 H GLY A 101 75.644 6.254 8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 101 74.438 8.728 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 101 75.852 7.925 6.330 1.00 0.00 H new ATOM 1329 N SER A 102 73.652 5.707 6.557 1.00 0.00 N ATOM 1330 CA SER A 102 72.804 4.757 5.846 1.00 0.00 C ATOM 1331 C SER A 102 73.329 4.532 4.432 1.00 0.00 C ATOM 1332 O SER A 102 72.636 3.965 3.587 1.00 0.00 O ATOM 1333 CB SER A 102 71.375 5.289 5.783 1.00 0.00 C ATOM 1334 OG SER A 102 70.943 5.628 7.095 1.00 0.00 O ATOM 0 H SER A 102 73.933 5.407 7.490 1.00 0.00 H new ATOM 0 HA SER A 102 72.816 3.808 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 102 71.328 6.164 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 102 70.713 4.538 5.352 1.00 0.00 H new ATOM 0 HG SER A 102 70.026 5.972 7.059 1.00 0.00 H new ATOM 1340 N LYS A 103 74.559 4.971 4.184 1.00 0.00 N ATOM 1341 CA LYS A 103 75.167 4.810 2.867 1.00 0.00 C ATOM 1342 C LYS A 103 75.744 3.412 2.716 1.00 0.00 C ATOM 1343 O LYS A 103 76.012 2.745 3.707 1.00 0.00 O ATOM 1344 CB LYS A 103 76.281 5.840 2.673 1.00 0.00 C ATOM 1345 CG LYS A 103 77.212 5.819 3.884 1.00 0.00 C ATOM 1346 CD LYS A 103 78.648 6.090 3.429 1.00 0.00 C ATOM 1347 CE LYS A 103 79.482 6.565 4.621 1.00 0.00 C ATOM 1348 NZ LYS A 103 80.920 6.261 4.374 1.00 0.00 N ATOM 0 H LYS A 103 75.151 5.438 4.871 1.00 0.00 H new ATOM 0 HA LYS A 103 74.395 4.962 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 103 76.842 5.617 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 103 75.853 6.835 2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 103 76.901 6.572 4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 103 77.154 4.852 4.384 1.00 0.00 H new ATOM 0 HD2 LYS A 103 79.083 5.185 3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 103 78.655 6.845 2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 103 79.346 7.636 4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 103 79.146 6.071 5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 81.512 6.949 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 81.135 5.302 4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 81.117 6.320 3.355 1.00 0.00 H new ATOM 1362 N ARG A 104 75.926 2.978 1.472 1.00 0.00 N ATOM 1363 CA ARG A 104 76.468 1.646 1.203 1.00 0.00 C ATOM 1364 C ARG A 104 77.705 1.746 0.319 1.00 0.00 C ATOM 1365 O ARG A 104 77.614 2.112 -0.854 1.00 0.00 O ATOM 1366 CB ARG A 104 75.411 0.781 0.510 1.00 0.00 C ATOM 1367 CG ARG A 104 74.012 1.270 0.896 1.00 0.00 C ATOM 1368 CD ARG A 104 73.587 2.397 -0.049 1.00 0.00 C ATOM 1369 NE ARG A 104 72.745 3.356 0.655 1.00 0.00 N ATOM 1370 CZ ARG A 104 72.007 4.239 -0.010 1.00 0.00 C ATOM 1371 NH1 ARG A 104 71.263 5.089 0.643 1.00 0.00 N ATOM 1372 NH2 ARG A 104 72.027 4.255 -1.314 1.00 0.00 N ATOM 0 H ARG A 104 75.708 3.524 0.638 1.00 0.00 H new ATOM 0 HA ARG A 104 76.746 1.186 2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 104 75.539 0.830 -0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 104 75.535 -0.263 0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 104 73.299 0.447 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 104 74.011 1.625 1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 104 74.469 2.900 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 104 73.046 1.983 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 104 72.722 3.349 1.675 1.00 0.00 H new ATOM 0 HH11 ARG A 104 71.248 5.075 1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 104 70.696 5.767 0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 104 72.609 3.590 -1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 104 71.461 4.933 -1.824 1.00 0.00 H new ATOM 1386 N LEU A 105 78.859 1.419 0.889 1.00 0.00 N ATOM 1387 CA LEU A 105 80.106 1.481 0.142 1.00 0.00 C ATOM 1388 C LEU A 105 80.432 0.122 -0.459 1.00 0.00 C ATOM 1389 O LEU A 105 80.406 -0.887 0.236 1.00 0.00 O ATOM 1390 CB LEU A 105 81.250 1.924 1.064 1.00 0.00 C ATOM 1391 CG LEU A 105 82.552 2.028 0.262 1.00 0.00 C ATOM 1392 CD1 LEU A 105 82.388 3.074 -0.843 1.00 0.00 C ATOM 1393 CD2 LEU A 105 83.690 2.445 1.191 1.00 0.00 C ATOM 0 H LEU A 105 78.956 1.111 1.857 1.00 0.00 H new ATOM 0 HA LEU A 105 79.991 2.206 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 105 81.013 2.887 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 105 81.370 1.210 1.879 1.00 0.00 H new ATOM 0 HG LEU A 105 82.782 1.060 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 105 83.314 3.149 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 105 81.575 2.778 -1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 105 82.158 4.042 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 105 84.616 2.519 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 105 83.460 3.413 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 105 83.807 1.701 1.979 1.00 0.00 H new ATOM 1405 N PHE A 106 80.741 0.108 -1.754 1.00 0.00 N ATOM 1406 CA PHE A 106 81.066 -1.140 -2.440 1.00 0.00 C ATOM 1407 C PHE A 106 82.545 -1.185 -2.808 1.00 0.00 C ATOM 1408 O PHE A 106 83.071 -0.259 -3.426 1.00 0.00 O ATOM 1409 CB PHE A 106 80.223 -1.264 -3.710 1.00 0.00 C ATOM 1410 CG PHE A 106 78.759 -1.317 -3.341 1.00 0.00 C ATOM 1411 CD1 PHE A 106 77.982 -0.152 -3.391 1.00 0.00 C ATOM 1412 CD2 PHE A 106 78.179 -2.528 -2.947 1.00 0.00 C ATOM 1413 CE1 PHE A 106 76.625 -0.201 -3.047 1.00 0.00 C ATOM 1414 CE2 PHE A 106 76.823 -2.576 -2.603 1.00 0.00 C ATOM 1415 CZ PHE A 106 76.046 -1.413 -2.653 1.00 0.00 C ATOM 0 H PHE A 106 80.773 0.939 -2.345 1.00 0.00 H new ATOM 0 HA PHE A 106 80.847 -1.970 -1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 106 80.412 -0.417 -4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 106 80.503 -2.163 -4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 106 78.429 0.783 -3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 106 78.778 -3.426 -2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 106 76.025 0.696 -3.086 1.00 0.00 H new ATOM 0 HE2 PHE A 106 76.376 -3.511 -2.299 1.00 0.00 H new ATOM 0 HZ PHE A 106 75.000 -1.451 -2.388 1.00 0.00 H new ATOM 1425 N PHE A 107 83.212 -2.271 -2.423 1.00 0.00 N ATOM 1426 CA PHE A 107 84.630 -2.426 -2.721 1.00 0.00 C ATOM 1427 C PHE A 107 85.007 -3.908 -2.764 1.00 0.00 C ATOM 1428 O PHE A 107 84.264 -4.764 -2.278 1.00 0.00 O ATOM 1429 CB PHE A 107 85.470 -1.718 -1.658 1.00 0.00 C ATOM 1430 CG PHE A 107 85.413 -2.495 -0.364 1.00 0.00 C ATOM 1431 CD1 PHE A 107 86.468 -3.347 -0.017 1.00 0.00 C ATOM 1432 CD2 PHE A 107 84.304 -2.371 0.480 1.00 0.00 C ATOM 1433 CE1 PHE A 107 86.415 -4.073 1.181 1.00 0.00 C ATOM 1434 CE2 PHE A 107 84.251 -3.096 1.676 1.00 0.00 C ATOM 1435 CZ PHE A 107 85.306 -3.947 2.027 1.00 0.00 C ATOM 0 H PHE A 107 82.797 -3.048 -1.909 1.00 0.00 H new ATOM 0 HA PHE A 107 84.828 -1.980 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 107 86.503 -1.630 -1.996 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.098 -0.705 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 107 87.322 -3.445 -0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 107 83.489 -1.716 0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 107 87.229 -4.729 1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 107 83.396 -2.999 2.329 1.00 0.00 H new ATOM 0 HZ PHE A 107 85.265 -4.506 2.950 1.00 0.00 H new ATOM 1445 N TRP A 108 86.167 -4.199 -3.339 1.00 0.00 N ATOM 1446 CA TRP A 108 86.640 -5.573 -3.439 1.00 0.00 C ATOM 1447 C TRP A 108 88.105 -5.661 -3.025 1.00 0.00 C ATOM 1448 O TRP A 108 88.850 -4.687 -3.128 1.00 0.00 O ATOM 1449 CB TRP A 108 86.477 -6.080 -4.873 1.00 0.00 C ATOM 1450 CG TRP A 108 87.075 -5.091 -5.820 1.00 0.00 C ATOM 1451 CD1 TRP A 108 86.630 -3.824 -6.004 1.00 0.00 C ATOM 1452 CD2 TRP A 108 88.199 -5.263 -6.731 1.00 0.00 C ATOM 1453 NE1 TRP A 108 87.418 -3.207 -6.953 1.00 0.00 N ATOM 1454 CE2 TRP A 108 88.397 -4.053 -7.436 1.00 0.00 C ATOM 1455 CE3 TRP A 108 89.058 -6.341 -7.011 1.00 0.00 C ATOM 1456 CZ2 TRP A 108 89.414 -3.914 -8.382 1.00 0.00 C ATOM 1457 CZ3 TRP A 108 90.080 -6.207 -7.963 1.00 0.00 C ATOM 1458 CH2 TRP A 108 90.257 -4.998 -8.649 1.00 0.00 C ATOM 0 H TRP A 108 86.796 -3.504 -3.742 1.00 0.00 H new ATOM 0 HA TRP A 108 86.046 -6.195 -2.769 1.00 0.00 H new ATOM 0 HB2 TRP A 108 86.964 -7.048 -4.986 1.00 0.00 H new ATOM 0 HB3 TRP A 108 85.421 -6.226 -5.101 1.00 0.00 H new ATOM 0 HD1 TRP A 108 85.794 -3.371 -5.491 1.00 0.00 H new ATOM 0 HE1 TRP A 108 87.293 -2.243 -7.261 1.00 0.00 H new ATOM 0 HE3 TRP A 108 88.930 -7.278 -6.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 89.549 -2.978 -8.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 90.735 -7.041 -8.168 1.00 0.00 H new ATOM 0 HH2 TRP A 108 91.043 -4.903 -9.383 1.00 0.00 H new ATOM 1469 N MET A 109 88.506 -6.831 -2.548 1.00 0.00 N ATOM 1470 CA MET A 109 89.878 -7.051 -2.103 1.00 0.00 C ATOM 1471 C MET A 109 90.837 -7.042 -3.286 1.00 0.00 C ATOM 1472 O MET A 109 91.469 -8.054 -3.591 1.00 0.00 O ATOM 1473 CB MET A 109 89.992 -8.375 -1.354 1.00 0.00 C ATOM 1474 CG MET A 109 88.905 -8.447 -0.277 1.00 0.00 C ATOM 1475 SD MET A 109 89.199 -7.179 0.981 1.00 0.00 S ATOM 1476 CE MET A 109 90.321 -8.145 2.023 1.00 0.00 C ATOM 0 H MET A 109 87.899 -7.646 -2.458 1.00 0.00 H new ATOM 0 HA MET A 109 90.147 -6.239 -1.428 1.00 0.00 H new ATOM 0 HB2 MET A 109 89.887 -9.208 -2.049 1.00 0.00 H new ATOM 0 HB3 MET A 109 90.978 -8.463 -0.897 1.00 0.00 H new ATOM 0 HG2 MET A 109 87.923 -8.303 -0.729 1.00 0.00 H new ATOM 0 HG3 MET A 109 88.902 -9.435 0.184 1.00 0.00 H new ATOM 0 HE1 MET A 109 90.999 -7.473 2.548 1.00 0.00 H new ATOM 0 HE2 MET A 109 89.742 -8.716 2.749 1.00 0.00 H new ATOM 0 HE3 MET A 109 90.898 -8.829 1.400 1.00 0.00 H new ATOM 1486 N GLN A 110 90.927 -5.904 -3.967 1.00 0.00 N ATOM 1487 CA GLN A 110 91.802 -5.796 -5.132 1.00 0.00 C ATOM 1488 C GLN A 110 93.253 -5.996 -4.721 1.00 0.00 C ATOM 1489 O GLN A 110 94.136 -6.113 -5.571 1.00 0.00 O ATOM 1490 CB GLN A 110 91.639 -4.410 -5.771 1.00 0.00 C ATOM 1491 CG GLN A 110 92.463 -3.382 -4.987 1.00 0.00 C ATOM 1492 CD GLN A 110 93.889 -3.338 -5.521 1.00 0.00 C ATOM 1493 OE1 GLN A 110 94.827 -3.698 -4.813 1.00 0.00 O ATOM 1494 NE2 GLN A 110 94.108 -2.923 -6.739 1.00 0.00 N ATOM 0 H GLN A 110 90.413 -5.053 -3.738 1.00 0.00 H new ATOM 0 HA GLN A 110 91.527 -6.567 -5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 110 91.966 -4.437 -6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 110 90.588 -4.122 -5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 110 92.004 -2.397 -5.071 1.00 0.00 H new ATOM 0 HG3 GLN A 110 92.471 -3.641 -3.928 1.00 0.00 H new ATOM 0 HE21 GLN A 110 93.328 -2.625 -7.324 1.00 0.00 H new ATOM 0 HE22 GLN A 110 95.060 -2.897 -7.106 1.00 0.00 H new ATOM 1503 N GLU A 111 93.493 -6.031 -3.413 1.00 0.00 N ATOM 1504 CA GLU A 111 94.841 -6.205 -2.911 1.00 0.00 C ATOM 1505 C GLU A 111 95.419 -7.547 -3.373 1.00 0.00 C ATOM 1506 O GLU A 111 94.695 -8.541 -3.470 1.00 0.00 O ATOM 1507 CB GLU A 111 94.841 -6.145 -1.382 1.00 0.00 C ATOM 1508 CG GLU A 111 93.999 -7.293 -0.824 1.00 0.00 C ATOM 1509 CD GLU A 111 93.893 -7.171 0.692 1.00 0.00 C ATOM 1510 OE1 GLU A 111 93.417 -6.148 1.152 1.00 0.00 O ATOM 1511 OE2 GLU A 111 94.287 -8.107 1.371 1.00 0.00 O ATOM 0 H GLU A 111 92.776 -5.942 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 111 95.462 -5.401 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 111 95.862 -6.213 -1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 111 94.440 -5.189 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 111 93.004 -7.275 -1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 111 94.450 -8.249 -1.090 1.00 0.00 H new ATOM 1518 N PRO A 112 96.697 -7.594 -3.647 1.00 0.00 N ATOM 1519 CA PRO A 112 97.380 -8.836 -4.107 1.00 0.00 C ATOM 1520 C PRO A 112 97.420 -9.909 -3.026 1.00 0.00 C ATOM 1521 O PRO A 112 97.593 -11.092 -3.320 1.00 0.00 O ATOM 1522 CB PRO A 112 98.790 -8.360 -4.467 1.00 0.00 C ATOM 1523 CG PRO A 112 98.997 -7.111 -3.686 1.00 0.00 C ATOM 1524 CD PRO A 112 97.636 -6.465 -3.546 1.00 0.00 C ATOM 0 HA PRO A 112 96.859 -9.305 -4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 112 99.536 -9.112 -4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 112 98.880 -8.174 -5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 112 99.425 -7.331 -2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 112 99.693 -6.445 -4.196 1.00 0.00 H new ATOM 0 HD2 PRO A 112 97.536 -5.946 -2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 112 97.461 -5.728 -4.330 1.00 0.00 H new ATOM 1532 N LYS A 113 97.269 -9.487 -1.776 1.00 0.00 N ATOM 1533 CA LYS A 113 97.296 -10.420 -0.659 1.00 0.00 C ATOM 1534 C LYS A 113 95.890 -10.899 -0.316 1.00 0.00 C ATOM 1535 O LYS A 113 95.311 -10.485 0.688 1.00 0.00 O ATOM 1536 CB LYS A 113 97.925 -9.754 0.568 1.00 0.00 C ATOM 1537 CG LYS A 113 99.371 -9.364 0.254 1.00 0.00 C ATOM 1538 CD LYS A 113 100.051 -8.868 1.529 1.00 0.00 C ATOM 1539 CE LYS A 113 101.447 -8.339 1.193 1.00 0.00 C ATOM 1540 NZ LYS A 113 102.265 -9.434 0.599 1.00 0.00 N ATOM 0 H LYS A 113 97.128 -8.512 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 113 97.896 -11.282 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 113 97.352 -8.870 0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 113 97.898 -10.435 1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 113 99.911 -10.221 -0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 113 99.392 -8.586 -0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 113 99.454 -8.081 1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 113 100.123 -9.679 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 113 101.373 -7.506 0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 113 101.929 -7.958 2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 103.268 -9.160 0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 102.139 -10.303 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 101.959 -9.604 -0.380 1.00 0.00 H new ATOM 1554 N THR A 114 95.350 -11.778 -1.151 1.00 0.00 N ATOM 1555 CA THR A 114 94.014 -12.316 -0.923 1.00 0.00 C ATOM 1556 C THR A 114 94.095 -13.664 -0.216 1.00 0.00 C ATOM 1557 O THR A 114 93.074 -14.296 0.058 1.00 0.00 O ATOM 1558 CB THR A 114 93.278 -12.475 -2.255 1.00 0.00 C ATOM 1559 OG1 THR A 114 92.074 -13.199 -2.043 1.00 0.00 O ATOM 1560 CG2 THR A 114 94.166 -13.232 -3.243 1.00 0.00 C ATOM 0 H THR A 114 95.813 -12.132 -1.988 1.00 0.00 H new ATOM 0 HA THR A 114 93.465 -11.619 -0.290 1.00 0.00 H new ATOM 0 HB THR A 114 93.044 -11.492 -2.663 1.00 0.00 H new ATOM 0 HG1 THR A 114 92.000 -13.441 -1.096 1.00 0.00 H new ATOM 0 HG21 THR A 114 93.641 -13.345 -4.192 1.00 0.00 H new ATOM 0 HG22 THR A 114 95.089 -12.675 -3.403 1.00 0.00 H new ATOM 0 HG23 THR A 114 94.402 -14.217 -2.840 1.00 0.00 H new ATOM 1568 N ASP A 115 95.315 -14.102 0.074 1.00 0.00 N ATOM 1569 CA ASP A 115 95.516 -15.381 0.747 1.00 0.00 C ATOM 1570 C ASP A 115 94.954 -15.335 2.164 1.00 0.00 C ATOM 1571 O ASP A 115 94.609 -16.369 2.735 1.00 0.00 O ATOM 1572 CB ASP A 115 97.009 -15.716 0.798 1.00 0.00 C ATOM 1573 CG ASP A 115 97.514 -16.054 -0.602 1.00 0.00 C ATOM 1574 OD1 ASP A 115 96.688 -16.303 -1.464 1.00 0.00 O ATOM 1575 OD2 ASP A 115 98.719 -16.052 -0.790 1.00 0.00 O ATOM 0 H ASP A 115 96.173 -13.596 -0.144 1.00 0.00 H new ATOM 0 HA ASP A 115 94.990 -16.153 0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 115 97.567 -14.871 1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 115 97.179 -16.558 1.468 1.00 0.00 H new ATOM 1580 N GLN A 116 94.868 -14.130 2.725 1.00 0.00 N ATOM 1581 CA GLN A 116 94.353 -13.956 4.076 1.00 0.00 C ATOM 1582 C GLN A 116 93.050 -13.175 4.049 1.00 0.00 C ATOM 1583 O GLN A 116 92.704 -12.503 5.012 1.00 0.00 O ATOM 1584 CB GLN A 116 95.381 -13.221 4.939 1.00 0.00 C ATOM 1585 CG GLN A 116 96.720 -13.961 4.885 1.00 0.00 C ATOM 1586 CD GLN A 116 97.824 -13.010 4.435 1.00 0.00 C ATOM 1587 OE1 GLN A 116 98.116 -12.029 5.119 1.00 0.00 O ATOM 1588 NE2 GLN A 116 98.455 -13.241 3.317 1.00 0.00 N ATOM 0 H GLN A 116 95.148 -13.264 2.264 1.00 0.00 H new ATOM 0 HA GLN A 116 94.164 -14.940 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 116 95.505 -12.198 4.583 1.00 0.00 H new ATOM 0 HB3 GLN A 116 95.029 -13.160 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 116 96.959 -14.370 5.867 1.00 0.00 H new ATOM 0 HG3 GLN A 116 96.652 -14.804 4.197 1.00 0.00 H new ATOM 0 HE21 GLN A 116 98.211 -14.055 2.752 1.00 0.00 H new ATOM 0 HE22 GLN A 116 99.193 -12.608 3.007 1.00 0.00 H new ATOM 1597 N ASP A 117 92.335 -13.259 2.935 1.00 0.00 N ATOM 1598 CA ASP A 117 91.079 -12.545 2.795 1.00 0.00 C ATOM 1599 C ASP A 117 90.092 -12.976 3.879 1.00 0.00 C ATOM 1600 O ASP A 117 89.369 -12.150 4.437 1.00 0.00 O ATOM 1601 CB ASP A 117 90.469 -12.818 1.415 1.00 0.00 C ATOM 1602 CG ASP A 117 89.195 -11.999 1.231 1.00 0.00 C ATOM 1603 OD1 ASP A 117 88.791 -11.344 2.176 1.00 0.00 O ATOM 1604 OD2 ASP A 117 88.640 -12.041 0.143 1.00 0.00 O ATOM 0 H ASP A 117 92.604 -13.812 2.121 1.00 0.00 H new ATOM 0 HA ASP A 117 91.279 -11.479 2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 117 91.188 -12.566 0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 117 90.246 -13.880 1.312 1.00 0.00 H new ATOM 1609 N GLU A 118 90.059 -14.276 4.162 1.00 0.00 N ATOM 1610 CA GLU A 118 89.150 -14.804 5.168 1.00 0.00 C ATOM 1611 C GLU A 118 89.590 -14.377 6.564 1.00 0.00 C ATOM 1612 O GLU A 118 88.777 -13.925 7.370 1.00 0.00 O ATOM 1613 CB GLU A 118 89.115 -16.333 5.083 1.00 0.00 C ATOM 1614 CG GLU A 118 87.777 -16.845 5.620 1.00 0.00 C ATOM 1615 CD GLU A 118 87.701 -18.359 5.468 1.00 0.00 C ATOM 1616 OE1 GLU A 118 88.378 -19.045 6.215 1.00 0.00 O ATOM 1617 OE2 GLU A 118 86.966 -18.811 4.604 1.00 0.00 O ATOM 0 H GLU A 118 90.648 -14.976 3.711 1.00 0.00 H new ATOM 0 HA GLU A 118 88.153 -14.406 4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 118 89.251 -16.653 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 118 89.937 -16.758 5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 118 87.668 -16.570 6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 118 86.955 -16.375 5.080 1.00 0.00 H new ATOM 1624 N GLU A 119 90.885 -14.512 6.841 1.00 0.00 N ATOM 1625 CA GLU A 119 91.426 -14.124 8.134 1.00 0.00 C ATOM 1626 C GLU A 119 91.333 -12.617 8.330 1.00 0.00 C ATOM 1627 O GLU A 119 91.022 -12.143 9.418 1.00 0.00 O ATOM 1628 CB GLU A 119 92.884 -14.573 8.252 1.00 0.00 C ATOM 1629 CG GLU A 119 92.945 -16.098 8.366 1.00 0.00 C ATOM 1630 CD GLU A 119 94.396 -16.560 8.428 1.00 0.00 C ATOM 1631 OE1 GLU A 119 95.267 -15.743 8.177 1.00 0.00 O ATOM 1632 OE2 GLU A 119 94.616 -17.720 8.734 1.00 0.00 O ATOM 0 H GLU A 119 91.574 -14.886 6.188 1.00 0.00 H new ATOM 0 HA GLU A 119 90.836 -14.612 8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 119 93.449 -14.241 7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 119 93.347 -14.114 9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 119 92.412 -16.425 9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 119 92.446 -16.555 7.511 1.00 0.00 H new ATOM 1639 N HIS A 120 91.605 -11.872 7.267 1.00 0.00 N ATOM 1640 CA HIS A 120 91.551 -10.417 7.325 1.00 0.00 C ATOM 1641 C HIS A 120 90.141 -9.951 7.661 1.00 0.00 C ATOM 1642 O HIS A 120 89.948 -9.115 8.542 1.00 0.00 O ATOM 1643 CB HIS A 120 91.988 -9.821 5.984 1.00 0.00 C ATOM 1644 CG HIS A 120 91.994 -8.319 6.080 1.00 0.00 C ATOM 1645 ND1 HIS A 120 90.924 -7.546 5.661 1.00 0.00 N ATOM 1646 CD2 HIS A 120 92.935 -7.435 6.548 1.00 0.00 C ATOM 1647 CE1 HIS A 120 91.244 -6.257 5.880 1.00 0.00 C ATOM 1648 NE2 HIS A 120 92.458 -6.133 6.421 1.00 0.00 N ATOM 0 H HIS A 120 91.865 -12.250 6.356 1.00 0.00 H new ATOM 0 HA HIS A 120 92.230 -10.076 8.107 1.00 0.00 H new ATOM 0 HB2 HIS A 120 92.982 -10.183 5.720 1.00 0.00 H new ATOM 0 HB3 HIS A 120 91.311 -10.143 5.193 1.00 0.00 H new ATOM 0 HD1 HIS A 120 90.052 -7.891 5.259 1.00 0.00 H new ATOM 0 HD2 HIS A 120 93.898 -7.708 6.953 1.00 0.00 H new ATOM 0 HE1 HIS A 120 90.597 -5.424 5.646 1.00 0.00 H new ATOM 1656 N CYS A 121 89.158 -10.501 6.954 1.00 0.00 N ATOM 1657 CA CYS A 121 87.766 -10.136 7.192 1.00 0.00 C ATOM 1658 C CYS A 121 87.335 -10.535 8.598 1.00 0.00 C ATOM 1659 O CYS A 121 86.704 -9.754 9.308 1.00 0.00 O ATOM 1660 CB CYS A 121 86.866 -10.830 6.166 1.00 0.00 C ATOM 1661 SG CYS A 121 87.128 -10.096 4.532 1.00 0.00 S ATOM 0 H CYS A 121 89.297 -11.194 6.219 1.00 0.00 H new ATOM 0 HA CYS A 121 87.672 -9.055 7.092 1.00 0.00 H new ATOM 0 HB2 CYS A 121 87.087 -11.897 6.136 1.00 0.00 H new ATOM 0 HB3 CYS A 121 85.821 -10.729 6.457 1.00 0.00 H new ATOM 0 HG CYS A 121 88.013 -10.791 3.881 1.00 0.00 H new ATOM 1667 N ARG A 122 87.690 -11.753 8.996 1.00 0.00 N ATOM 1668 CA ARG A 122 87.339 -12.244 10.323 1.00 0.00 C ATOM 1669 C ARG A 122 88.028 -11.416 11.403 1.00 0.00 C ATOM 1670 O ARG A 122 87.408 -11.029 12.392 1.00 0.00 O ATOM 1671 CB ARG A 122 87.744 -13.714 10.462 1.00 0.00 C ATOM 1672 CG ARG A 122 87.298 -14.241 11.827 1.00 0.00 C ATOM 1673 CD ARG A 122 87.568 -15.744 11.908 1.00 0.00 C ATOM 1674 NE ARG A 122 89.004 -16.001 11.886 1.00 0.00 N ATOM 1675 CZ ARG A 122 89.479 -17.240 11.839 1.00 0.00 C ATOM 1676 NH1 ARG A 122 90.768 -17.445 11.822 1.00 0.00 N ATOM 1677 NH2 ARG A 122 88.657 -18.254 11.809 1.00 0.00 N ATOM 0 H ARG A 122 88.216 -12.413 8.423 1.00 0.00 H new ATOM 0 HA ARG A 122 86.260 -12.153 10.449 1.00 0.00 H new ATOM 0 HB2 ARG A 122 87.289 -14.304 9.666 1.00 0.00 H new ATOM 0 HB3 ARG A 122 88.824 -13.816 10.357 1.00 0.00 H new ATOM 0 HG2 ARG A 122 87.833 -13.721 12.622 1.00 0.00 H new ATOM 0 HG3 ARG A 122 86.236 -14.043 11.976 1.00 0.00 H new ATOM 0 HD2 ARG A 122 87.133 -16.150 12.821 1.00 0.00 H new ATOM 0 HD3 ARG A 122 87.088 -16.253 11.072 1.00 0.00 H new ATOM 0 HE ARG A 122 89.654 -15.215 11.907 1.00 0.00 H new ATOM 0 HH11 ARG A 122 91.411 -16.653 11.845 1.00 0.00 H new ATOM 0 HH12 ARG A 122 91.133 -18.397 11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 122 87.650 -18.094 11.822 1.00 0.00 H new ATOM 0 HH22 ARG A 122 89.022 -19.206 11.773 1.00 0.00 H new ATOM 1691 N LYS A 123 89.310 -11.146 11.202 1.00 0.00 N ATOM 1692 CA LYS A 123 90.080 -10.360 12.161 1.00 0.00 C ATOM 1693 C LYS A 123 89.517 -8.952 12.266 1.00 0.00 C ATOM 1694 O LYS A 123 89.352 -8.423 13.362 1.00 0.00 O ATOM 1695 CB LYS A 123 91.546 -10.308 11.734 1.00 0.00 C ATOM 1696 CG LYS A 123 92.372 -9.628 12.832 1.00 0.00 C ATOM 1697 CD LYS A 123 93.392 -10.621 13.401 1.00 0.00 C ATOM 1698 CE LYS A 123 92.670 -11.630 14.301 1.00 0.00 C ATOM 1699 NZ LYS A 123 93.677 -12.461 15.015 1.00 0.00 N ATOM 0 H LYS A 123 89.839 -11.457 10.387 1.00 0.00 H new ATOM 0 HA LYS A 123 90.011 -10.836 13.139 1.00 0.00 H new ATOM 0 HB2 LYS A 123 91.920 -11.316 11.554 1.00 0.00 H new ATOM 0 HB3 LYS A 123 91.644 -9.759 10.797 1.00 0.00 H new ATOM 0 HG2 LYS A 123 92.886 -8.756 12.427 1.00 0.00 H new ATOM 0 HG3 LYS A 123 91.716 -9.271 13.626 1.00 0.00 H new ATOM 0 HD2 LYS A 123 93.903 -11.140 12.590 1.00 0.00 H new ATOM 0 HD3 LYS A 123 94.155 -10.090 13.970 1.00 0.00 H new ATOM 0 HE2 LYS A 123 92.038 -11.107 15.019 1.00 0.00 H new ATOM 0 HE3 LYS A 123 92.016 -12.265 13.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 93.190 -13.147 15.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 94.262 -12.970 14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 94.284 -11.848 15.596 1.00 0.00 H new ATOM 1713 N VAL A 124 89.192 -8.361 11.122 1.00 0.00 N ATOM 1714 CA VAL A 124 88.621 -7.019 11.099 1.00 0.00 C ATOM 1715 C VAL A 124 87.277 -7.012 11.816 1.00 0.00 C ATOM 1716 O VAL A 124 86.979 -6.100 12.589 1.00 0.00 O ATOM 1717 CB VAL A 124 88.444 -6.553 9.657 1.00 0.00 C ATOM 1718 CG1 VAL A 124 87.626 -5.262 9.635 1.00 0.00 C ATOM 1719 CG2 VAL A 124 89.817 -6.295 9.035 1.00 0.00 C ATOM 0 H VAL A 124 89.313 -8.787 10.203 1.00 0.00 H new ATOM 0 HA VAL A 124 89.299 -6.337 11.612 1.00 0.00 H new ATOM 0 HB VAL A 124 87.924 -7.323 9.087 1.00 0.00 H new ATOM 0 HG11 VAL A 124 87.499 -4.929 8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 124 86.648 -5.443 10.080 1.00 0.00 H new ATOM 0 HG13 VAL A 124 88.147 -4.492 10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 124 89.693 -5.962 8.005 1.00 0.00 H new ATOM 0 HG22 VAL A 124 90.336 -5.525 9.605 1.00 0.00 H new ATOM 0 HG23 VAL A 124 90.402 -7.214 9.051 1.00 0.00 H new ATOM 1729 N ASN A 125 86.471 -8.039 11.553 1.00 0.00 N ATOM 1730 CA ASN A 125 85.169 -8.151 12.186 1.00 0.00 C ATOM 1731 C ASN A 125 85.310 -8.384 13.687 1.00 0.00 C ATOM 1732 O ASN A 125 84.524 -7.879 14.487 1.00 0.00 O ATOM 1733 CB ASN A 125 84.361 -9.286 11.558 1.00 0.00 C ATOM 1734 CG ASN A 125 83.932 -8.901 10.145 1.00 0.00 C ATOM 1735 OD1 ASN A 125 84.287 -9.580 9.183 1.00 0.00 O ATOM 1736 ND2 ASN A 125 83.187 -7.846 9.964 1.00 0.00 N ATOM 0 H ASN A 125 86.699 -8.797 10.910 1.00 0.00 H new ATOM 0 HA ASN A 125 84.640 -7.211 12.029 1.00 0.00 H new ATOM 0 HB2 ASN A 125 84.959 -10.197 11.530 1.00 0.00 H new ATOM 0 HB3 ASN A 125 83.483 -9.500 12.168 1.00 0.00 H new ATOM 0 HD21 ASN A 125 82.897 -7.582 9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 125 82.894 -7.285 10.764 1.00 0.00 H new ATOM 1743 N GLU A 126 86.312 -9.174 14.059 1.00 0.00 N ATOM 1744 CA GLU A 126 86.543 -9.487 15.464 1.00 0.00 C ATOM 1745 C GLU A 126 86.822 -8.217 16.256 1.00 0.00 C ATOM 1746 O GLU A 126 86.256 -8.008 17.325 1.00 0.00 O ATOM 1747 CB GLU A 126 87.734 -10.440 15.595 1.00 0.00 C ATOM 1748 CG GLU A 126 87.937 -10.809 17.066 1.00 0.00 C ATOM 1749 CD GLU A 126 89.057 -11.834 17.198 1.00 0.00 C ATOM 1750 OE1 GLU A 126 89.592 -12.232 16.177 1.00 0.00 O ATOM 1751 OE2 GLU A 126 89.366 -12.202 18.320 1.00 0.00 O ATOM 0 H GLU A 126 86.972 -9.606 13.413 1.00 0.00 H new ATOM 0 HA GLU A 126 85.647 -9.963 15.863 1.00 0.00 H new ATOM 0 HB2 GLU A 126 87.559 -11.340 15.005 1.00 0.00 H new ATOM 0 HB3 GLU A 126 88.634 -9.969 15.200 1.00 0.00 H new ATOM 0 HG2 GLU A 126 88.180 -9.917 17.643 1.00 0.00 H new ATOM 0 HG3 GLU A 126 87.013 -11.213 17.479 1.00 0.00 H new ATOM 1758 N TYR A 127 87.695 -7.370 15.720 1.00 0.00 N ATOM 1759 CA TYR A 127 88.030 -6.113 16.387 1.00 0.00 C ATOM 1760 C TYR A 127 86.824 -5.181 16.427 1.00 0.00 C ATOM 1761 O TYR A 127 86.547 -4.553 17.450 1.00 0.00 O ATOM 1762 CB TYR A 127 89.186 -5.429 15.658 1.00 0.00 C ATOM 1763 CG TYR A 127 90.499 -5.888 16.249 1.00 0.00 C ATOM 1764 CD1 TYR A 127 90.991 -7.166 15.965 1.00 0.00 C ATOM 1765 CD2 TYR A 127 91.225 -5.030 17.082 1.00 0.00 C ATOM 1766 CE1 TYR A 127 92.207 -7.587 16.511 1.00 0.00 C ATOM 1767 CE2 TYR A 127 92.442 -5.451 17.631 1.00 0.00 C ATOM 1768 CZ TYR A 127 92.934 -6.730 17.345 1.00 0.00 C ATOM 1769 OH TYR A 127 94.133 -7.145 17.886 1.00 0.00 O ATOM 0 H TYR A 127 88.179 -7.526 14.836 1.00 0.00 H new ATOM 0 HA TYR A 127 88.328 -6.338 17.411 1.00 0.00 H new ATOM 0 HB2 TYR A 127 89.151 -5.667 14.595 1.00 0.00 H new ATOM 0 HB3 TYR A 127 89.095 -4.346 15.745 1.00 0.00 H new ATOM 0 HD1 TYR A 127 90.430 -7.829 15.323 1.00 0.00 H new ATOM 0 HD2 TYR A 127 90.846 -4.043 17.302 1.00 0.00 H new ATOM 0 HE1 TYR A 127 92.586 -8.574 16.289 1.00 0.00 H new ATOM 0 HE2 TYR A 127 93.001 -4.789 18.275 1.00 0.00 H new ATOM 0 HH TYR A 127 94.507 -6.428 18.440 1.00 0.00 H new ATOM 1779 N LEU A 128 86.113 -5.097 15.309 1.00 0.00 N ATOM 1780 CA LEU A 128 84.933 -4.247 15.230 1.00 0.00 C ATOM 1781 C LEU A 128 83.837 -4.744 16.159 1.00 0.00 C ATOM 1782 O LEU A 128 83.157 -3.951 16.812 1.00 0.00 O ATOM 1783 CB LEU A 128 84.417 -4.209 13.790 1.00 0.00 C ATOM 1784 CG LEU A 128 85.370 -3.384 12.921 1.00 0.00 C ATOM 1785 CD1 LEU A 128 85.123 -3.707 11.444 1.00 0.00 C ATOM 1786 CD2 LEU A 128 85.119 -1.885 13.154 1.00 0.00 C ATOM 0 H LEU A 128 86.331 -5.603 14.451 1.00 0.00 H new ATOM 0 HA LEU A 128 85.214 -3.242 15.543 1.00 0.00 H new ATOM 0 HB2 LEU A 128 84.335 -5.222 13.396 1.00 0.00 H new ATOM 0 HB3 LEU A 128 83.417 -3.775 13.763 1.00 0.00 H new ATOM 0 HG LEU A 128 86.398 -3.629 13.187 1.00 0.00 H new ATOM 0 HD11 LEU A 128 85.801 -3.120 10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 128 85.299 -4.768 11.269 1.00 0.00 H new ATOM 0 HD13 LEU A 128 84.093 -3.463 11.186 1.00 0.00 H new ATOM 0 HD21 LEU A 128 85.799 -1.301 12.534 1.00 0.00 H new ATOM 0 HD22 LEU A 128 84.089 -1.643 12.890 1.00 0.00 H new ATOM 0 HD23 LEU A 128 85.290 -1.646 14.204 1.00 0.00 H new ATOM 1798 N ASN A 129 83.673 -6.059 16.215 1.00 0.00 N ATOM 1799 CA ASN A 129 82.656 -6.657 17.070 1.00 0.00 C ATOM 1800 C ASN A 129 83.282 -7.185 18.357 1.00 0.00 C ATOM 1801 O ASN A 129 82.634 -7.887 19.132 1.00 0.00 O ATOM 1802 CB ASN A 129 81.956 -7.799 16.332 1.00 0.00 C ATOM 1803 CG ASN A 129 81.093 -7.240 15.205 1.00 0.00 C ATOM 1804 OD1 ASN A 129 80.739 -6.061 15.220 1.00 0.00 O ATOM 1805 ND2 ASN A 129 80.732 -8.020 14.223 1.00 0.00 N ATOM 0 H ASN A 129 84.228 -6.729 15.682 1.00 0.00 H new ATOM 0 HA ASN A 129 81.925 -5.890 17.324 1.00 0.00 H new ATOM 0 HB2 ASN A 129 82.696 -8.489 15.927 1.00 0.00 H new ATOM 0 HB3 ASN A 129 81.338 -8.367 17.027 1.00 0.00 H new ATOM 0 HD21 ASN A 129 80.155 -7.653 13.466 1.00 0.00 H new ATOM 0 HD22 ASN A 129 81.026 -8.997 14.213 1.00 0.00 H new ATOM 1812 N ASN A 130 84.546 -6.845 18.575 1.00 0.00 N ATOM 1813 CA ASN A 130 85.255 -7.289 19.770 1.00 0.00 C ATOM 1814 C ASN A 130 85.056 -8.787 19.984 1.00 0.00 C ATOM 1815 O ASN A 130 84.512 -9.150 21.015 1.00 0.00 O ATOM 1816 CB ASN A 130 84.743 -6.524 20.991 1.00 0.00 C ATOM 1817 CG ASN A 130 85.187 -5.068 20.917 1.00 0.00 C ATOM 1818 OD1 ASN A 130 86.144 -4.744 20.214 1.00 0.00 O ATOM 1819 ND2 ASN A 130 84.542 -4.163 21.602 1.00 0.00 N ATOM 1820 OXT ASN A 130 85.451 -9.548 19.116 1.00 0.00 O ATOM 0 H ASN A 130 85.100 -6.266 17.944 1.00 0.00 H new ATOM 0 HA ASN A 130 86.319 -7.091 19.636 1.00 0.00 H new ATOM 0 HB2 ASN A 130 83.655 -6.579 21.035 1.00 0.00 H new ATOM 0 HB3 ASN A 130 85.123 -6.983 21.904 1.00 0.00 H new ATOM 0 HD21 ASN A 130 84.831 -3.186 21.555 1.00 0.00 H new ATOM 0 HD22 ASN A 130 83.749 -4.433 22.184 1.00 0.00 H new TER 1827 ASN A 130 ATOM 1828 N GLN B 940 100.569 -12.033 -6.482 1.00 0.00 N ATOM 1829 CA GLN B 940 100.019 -10.747 -6.993 1.00 0.00 C ATOM 1830 C GLN B 940 99.165 -11.014 -8.228 1.00 0.00 C ATOM 1831 O GLN B 940 98.807 -12.157 -8.510 1.00 0.00 O ATOM 1832 CB GLN B 940 101.175 -9.807 -7.349 1.00 0.00 C ATOM 1833 CG GLN B 940 102.231 -10.572 -8.152 1.00 0.00 C ATOM 1834 CD GLN B 940 103.396 -9.651 -8.491 1.00 0.00 C ATOM 1835 OE1 GLN B 940 103.194 -8.573 -9.047 1.00 0.00 O ATOM 1836 NE2 GLN B 940 104.612 -10.016 -8.188 1.00 0.00 N ATOM 0 HA GLN B 940 99.400 -10.281 -6.226 1.00 0.00 H new ATOM 0 HB2 GLN B 940 100.804 -8.962 -7.929 1.00 0.00 H new ATOM 0 HB3 GLN B 940 101.619 -9.400 -6.441 1.00 0.00 H new ATOM 0 HG2 GLN B 940 102.588 -11.427 -7.578 1.00 0.00 H new ATOM 0 HG3 GLN B 940 101.789 -10.965 -9.068 1.00 0.00 H new ATOM 0 HE21 GLN B 940 104.776 -10.911 -7.727 1.00 0.00 H new ATOM 0 HE22 GLN B 940 105.398 -9.406 -8.412 1.00 0.00 H new ATOM 1847 N GLU B 941 98.848 -9.954 -8.965 1.00 0.00 N ATOM 1848 CA GLU B 941 98.038 -10.091 -10.171 1.00 0.00 C ATOM 1849 C GLU B 941 96.636 -10.592 -9.822 1.00 0.00 C ATOM 1850 O GLU B 941 96.292 -11.745 -10.083 1.00 0.00 O ATOM 1851 CB GLU B 941 98.706 -11.062 -11.140 1.00 0.00 C ATOM 1852 CG GLU B 941 98.203 -10.786 -12.560 1.00 0.00 C ATOM 1853 CD GLU B 941 98.872 -9.533 -13.118 1.00 0.00 C ATOM 1854 OE1 GLU B 941 99.761 -9.017 -12.461 1.00 0.00 O ATOM 1855 OE2 GLU B 941 98.487 -9.110 -14.195 1.00 0.00 O ATOM 0 H GLU B 941 99.136 -8.999 -8.751 1.00 0.00 H new ATOM 0 HA GLU B 941 97.952 -9.112 -10.643 1.00 0.00 H new ATOM 0 HB2 GLU B 941 99.789 -10.949 -11.097 1.00 0.00 H new ATOM 0 HB3 GLU B 941 98.481 -12.090 -10.856 1.00 0.00 H new ATOM 0 HG2 GLU B 941 98.418 -11.640 -13.203 1.00 0.00 H new ATOM 0 HG3 GLU B 941 97.121 -10.657 -12.552 1.00 0.00 H new ATOM 1862 N PRO B 942 95.832 -9.750 -9.226 1.00 0.00 N ATOM 1863 CA PRO B 942 94.444 -10.106 -8.813 1.00 0.00 C ATOM 1864 C PRO B 942 93.500 -10.206 -10.006 1.00 0.00 C ATOM 1865 O PRO B 942 93.875 -9.875 -11.130 1.00 0.00 O ATOM 1866 CB PRO B 942 94.041 -8.971 -7.878 1.00 0.00 C ATOM 1867 CG PRO B 942 94.850 -7.800 -8.309 1.00 0.00 C ATOM 1868 CD PRO B 942 96.156 -8.354 -8.879 1.00 0.00 C ATOM 0 HA PRO B 942 94.394 -11.085 -8.337 1.00 0.00 H new ATOM 0 HB2 PRO B 942 92.974 -8.760 -7.952 1.00 0.00 H new ATOM 0 HB3 PRO B 942 94.244 -9.228 -6.838 1.00 0.00 H new ATOM 0 HG2 PRO B 942 94.317 -7.217 -9.060 1.00 0.00 H new ATOM 0 HG3 PRO B 942 95.046 -7.135 -7.468 1.00 0.00 H new ATOM 0 HD2 PRO B 942 96.480 -7.790 -9.754 1.00 0.00 H new ATOM 0 HD3 PRO B 942 96.964 -8.302 -8.149 1.00 0.00 H new ATOM 1876 N GLU B 943 92.282 -10.681 -9.752 1.00 0.00 N ATOM 1877 CA GLU B 943 91.296 -10.838 -10.812 1.00 0.00 C ATOM 1878 C GLU B 943 90.093 -9.928 -10.557 1.00 0.00 C ATOM 1879 O GLU B 943 89.167 -10.300 -9.833 1.00 0.00 O ATOM 1880 CB GLU B 943 90.833 -12.286 -10.895 1.00 0.00 C ATOM 1881 CG GLU B 943 92.055 -13.193 -11.057 1.00 0.00 C ATOM 1882 CD GLU B 943 92.768 -13.349 -9.717 1.00 0.00 C ATOM 1883 OE1 GLU B 943 92.188 -12.975 -8.710 1.00 0.00 O ATOM 1884 OE2 GLU B 943 93.884 -13.837 -9.716 1.00 0.00 O ATOM 0 H GLU B 943 91.958 -10.961 -8.826 1.00 0.00 H new ATOM 0 HA GLU B 943 91.761 -10.558 -11.757 1.00 0.00 H new ATOM 0 HB2 GLU B 943 90.280 -12.556 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU B 943 90.154 -12.416 -11.737 1.00 0.00 H new ATOM 0 HG2 GLU B 943 91.747 -14.170 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU B 943 92.737 -12.770 -11.795 1.00 0.00 H new ATOM 1891 N PRO B 944 90.094 -8.751 -11.134 1.00 0.00 N ATOM 1892 CA PRO B 944 88.991 -7.774 -10.965 1.00 0.00 C ATOM 1893 C PRO B 944 87.624 -8.375 -11.310 1.00 0.00 C ATOM 1894 O PRO B 944 87.528 -9.275 -12.146 1.00 0.00 O ATOM 1895 CB PRO B 944 89.340 -6.648 -11.940 1.00 0.00 C ATOM 1896 CG PRO B 944 90.811 -6.750 -12.141 1.00 0.00 C ATOM 1897 CD PRO B 944 91.157 -8.219 -11.997 1.00 0.00 C ATOM 0 HA PRO B 944 88.906 -7.440 -9.931 1.00 0.00 H new ATOM 0 HB2 PRO B 944 88.805 -6.763 -12.882 1.00 0.00 H new ATOM 0 HB3 PRO B 944 89.064 -5.675 -11.533 1.00 0.00 H new ATOM 0 HG2 PRO B 944 91.096 -6.378 -13.125 1.00 0.00 H new ATOM 0 HG3 PRO B 944 91.347 -6.150 -11.406 1.00 0.00 H new ATOM 0 HD2 PRO B 944 91.175 -8.722 -12.964 1.00 0.00 H new ATOM 0 HD3 PRO B 944 92.141 -8.355 -11.548 1.00 0.00 H new ATOM 1905 N PRO B 945 86.579 -7.899 -10.680 1.00 0.00 N ATOM 1906 CA PRO B 945 85.194 -8.392 -10.919 1.00 0.00 C ATOM 1907 C PRO B 945 84.665 -7.977 -12.287 1.00 0.00 C ATOM 1908 O PRO B 945 85.378 -7.339 -13.064 1.00 0.00 O ATOM 1909 CB PRO B 945 84.379 -7.746 -9.799 1.00 0.00 C ATOM 1910 CG PRO B 945 85.140 -6.524 -9.411 1.00 0.00 C ATOM 1911 CD PRO B 945 86.607 -6.831 -9.668 1.00 0.00 C ATOM 0 HA PRO B 945 85.141 -9.481 -10.915 1.00 0.00 H new ATOM 0 HB2 PRO B 945 83.375 -7.492 -10.140 1.00 0.00 H new ATOM 0 HB3 PRO B 945 84.267 -8.424 -8.953 1.00 0.00 H new ATOM 0 HG2 PRO B 945 84.816 -5.663 -9.995 1.00 0.00 H new ATOM 0 HG3 PRO B 945 84.973 -6.279 -8.362 1.00 0.00 H new ATOM 0 HD2 PRO B 945 87.140 -5.952 -10.031 1.00 0.00 H new ATOM 0 HD3 PRO B 945 87.111 -7.157 -8.758 1.00 0.00 H new ATOM 1919 N GLU B 946 83.418 -8.352 -12.573 1.00 0.00 N ATOM 1920 CA GLU B 946 82.812 -8.024 -13.843 1.00 0.00 C ATOM 1921 C GLU B 946 81.637 -7.064 -13.649 1.00 0.00 C ATOM 1922 O GLU B 946 80.955 -7.108 -12.621 1.00 0.00 O ATOM 1923 CB GLU B 946 82.327 -9.291 -14.549 1.00 0.00 C ATOM 1924 CG GLU B 946 83.526 -10.189 -14.847 1.00 0.00 C ATOM 1925 CD GLU B 946 84.408 -9.551 -15.916 1.00 0.00 C ATOM 1926 OE1 GLU B 946 83.939 -8.643 -16.580 1.00 0.00 O ATOM 1927 OE2 GLU B 946 85.541 -9.983 -16.054 1.00 0.00 O ATOM 0 H GLU B 946 82.818 -8.880 -11.939 1.00 0.00 H new ATOM 0 HA GLU B 946 83.568 -7.538 -14.461 1.00 0.00 H new ATOM 0 HB2 GLU B 946 81.609 -9.819 -13.922 1.00 0.00 H new ATOM 0 HB3 GLU B 946 81.812 -9.032 -15.474 1.00 0.00 H new ATOM 0 HG2 GLU B 946 84.104 -10.351 -13.937 1.00 0.00 H new ATOM 0 HG3 GLU B 946 83.183 -11.167 -15.184 1.00 0.00 H new ATOM 1934 N PRO B 947 81.381 -6.214 -14.610 1.00 0.00 N ATOM 1935 CA PRO B 947 80.260 -5.236 -14.536 1.00 0.00 C ATOM 1936 C PRO B 947 78.940 -5.897 -14.141 1.00 0.00 C ATOM 1937 O PRO B 947 78.522 -6.884 -14.755 1.00 0.00 O ATOM 1938 CB PRO B 947 80.178 -4.684 -15.967 1.00 0.00 C ATOM 1939 CG PRO B 947 81.532 -4.886 -16.559 1.00 0.00 C ATOM 1940 CD PRO B 947 82.140 -6.085 -15.866 1.00 0.00 C ATOM 0 HA PRO B 947 80.432 -4.471 -13.779 1.00 0.00 H new ATOM 0 HB2 PRO B 947 79.417 -5.208 -16.545 1.00 0.00 H new ATOM 0 HB3 PRO B 947 79.906 -3.628 -15.964 1.00 0.00 H new ATOM 0 HG2 PRO B 947 81.462 -5.055 -17.634 1.00 0.00 H new ATOM 0 HG3 PRO B 947 82.152 -4.001 -16.415 1.00 0.00 H new ATOM 0 HD2 PRO B 947 82.051 -6.983 -16.477 1.00 0.00 H new ATOM 0 HD3 PRO B 947 83.202 -5.935 -15.673 1.00 0.00 H new ATOM 1948 N PHE B 948 78.270 -5.327 -13.133 1.00 0.00 N ATOM 1949 CA PHE B 948 76.985 -5.861 -12.700 1.00 0.00 C ATOM 1950 C PHE B 948 76.130 -4.738 -12.122 1.00 0.00 C ATOM 1951 O PHE B 948 76.649 -3.794 -11.533 1.00 0.00 O ATOM 1952 CB PHE B 948 77.190 -6.947 -11.647 1.00 0.00 C ATOM 1953 CG PHE B 948 77.524 -6.309 -10.321 1.00 0.00 C ATOM 1954 CD1 PHE B 948 76.491 -5.937 -9.451 1.00 0.00 C ATOM 1955 CD2 PHE B 948 78.858 -6.094 -9.957 1.00 0.00 C ATOM 1956 CE1 PHE B 948 76.792 -5.350 -8.218 1.00 0.00 C ATOM 1957 CE2 PHE B 948 79.159 -5.507 -8.722 1.00 0.00 C ATOM 1958 CZ PHE B 948 78.123 -5.135 -7.853 1.00 0.00 C ATOM 0 H PHE B 948 78.593 -4.511 -12.613 1.00 0.00 H new ATOM 0 HA PHE B 948 76.477 -6.297 -13.560 1.00 0.00 H new ATOM 0 HB2 PHE B 948 76.288 -7.552 -11.554 1.00 0.00 H new ATOM 0 HB3 PHE B 948 77.994 -7.617 -11.952 1.00 0.00 H new ATOM 0 HD1 PHE B 948 75.462 -6.104 -9.733 1.00 0.00 H new ATOM 0 HD2 PHE B 948 79.654 -6.381 -10.628 1.00 0.00 H new ATOM 0 HE1 PHE B 948 75.995 -5.063 -7.548 1.00 0.00 H new ATOM 0 HE2 PHE B 948 80.188 -5.341 -8.439 1.00 0.00 H new ATOM 0 HZ PHE B 948 78.355 -4.682 -6.900 1.00 0.00 H new ATOM 1968 N GLU B 949 74.820 -4.834 -12.308 1.00 0.00 N ATOM 1969 CA GLU B 949 73.914 -3.803 -11.826 1.00 0.00 C ATOM 1970 C GLU B 949 73.525 -4.054 -10.373 1.00 0.00 C ATOM 1971 O GLU B 949 73.093 -5.148 -10.016 1.00 0.00 O ATOM 1972 CB GLU B 949 72.649 -3.784 -12.696 1.00 0.00 C ATOM 1973 CG GLU B 949 73.041 -3.644 -14.169 1.00 0.00 C ATOM 1974 CD GLU B 949 71.789 -3.575 -15.041 1.00 0.00 C ATOM 1975 OE1 GLU B 949 71.246 -4.622 -15.350 1.00 0.00 O ATOM 1976 OE2 GLU B 949 71.392 -2.473 -15.387 1.00 0.00 O ATOM 0 H GLU B 949 74.364 -5.611 -12.786 1.00 0.00 H new ATOM 0 HA GLU B 949 74.424 -2.841 -11.887 1.00 0.00 H new ATOM 0 HB2 GLU B 949 72.079 -4.701 -12.547 1.00 0.00 H new ATOM 0 HB3 GLU B 949 72.005 -2.956 -12.400 1.00 0.00 H new ATOM 0 HG2 GLU B 949 73.642 -2.745 -14.310 1.00 0.00 H new ATOM 0 HG3 GLU B 949 73.658 -4.490 -14.471 1.00 0.00 H new ATOM 1983 N TYR B 950 73.650 -3.020 -9.547 1.00 0.00 N ATOM 1984 CA TYR B 950 73.280 -3.124 -8.142 1.00 0.00 C ATOM 1985 C TYR B 950 71.870 -2.603 -7.927 1.00 0.00 C ATOM 1986 O TYR B 950 71.633 -1.400 -7.985 1.00 0.00 O ATOM 1987 CB TYR B 950 74.265 -2.329 -7.281 1.00 0.00 C ATOM 1988 CG TYR B 950 73.650 -2.067 -5.931 1.00 0.00 C ATOM 1989 CD1 TYR B 950 73.598 -3.084 -4.972 1.00 0.00 C ATOM 1990 CD2 TYR B 950 73.132 -0.800 -5.637 1.00 0.00 C ATOM 1991 CE1 TYR B 950 73.028 -2.836 -3.721 1.00 0.00 C ATOM 1992 CE2 TYR B 950 72.559 -0.551 -4.386 1.00 0.00 C ATOM 1993 CZ TYR B 950 72.508 -1.570 -3.425 1.00 0.00 C ATOM 1994 OH TYR B 950 71.943 -1.326 -2.189 1.00 0.00 O ATOM 0 H TYR B 950 74.003 -2.105 -9.826 1.00 0.00 H new ATOM 0 HA TYR B 950 73.315 -4.173 -7.849 1.00 0.00 H new ATOM 0 HB2 TYR B 950 75.196 -2.884 -7.167 1.00 0.00 H new ATOM 0 HB3 TYR B 950 74.513 -1.387 -7.769 1.00 0.00 H new ATOM 0 HD1 TYR B 950 73.999 -4.061 -5.199 1.00 0.00 H new ATOM 0 HD2 TYR B 950 73.175 -0.014 -6.377 1.00 0.00 H new ATOM 0 HE1 TYR B 950 72.988 -3.622 -2.981 1.00 0.00 H new ATOM 0 HE2 TYR B 950 72.156 0.425 -4.161 1.00 0.00 H new ATOM 0 HH TYR B 950 71.133 -1.869 -2.087 1.00 0.00 H new ATOM 2004 N ILE B 951 70.936 -3.519 -7.671 1.00 0.00 N ATOM 2005 CA ILE B 951 69.551 -3.136 -7.451 1.00 0.00 C ATOM 2006 C ILE B 951 69.004 -3.829 -6.214 1.00 0.00 C ATOM 2007 O ILE B 951 68.975 -5.054 -6.148 1.00 0.00 O ATOM 2008 CB ILE B 951 68.709 -3.530 -8.665 1.00 0.00 C ATOM 2009 CG1 ILE B 951 67.278 -3.026 -8.474 1.00 0.00 C ATOM 2010 CG2 ILE B 951 68.696 -5.047 -8.822 1.00 0.00 C ATOM 2011 CD1 ILE B 951 66.484 -3.218 -9.768 1.00 0.00 C ATOM 0 H ILE B 951 71.116 -4.521 -7.612 1.00 0.00 H new ATOM 0 HA ILE B 951 69.504 -2.057 -7.306 1.00 0.00 H new ATOM 0 HB ILE B 951 69.141 -3.083 -9.560 1.00 0.00 H new ATOM 0 HG12 ILE B 951 66.798 -3.567 -7.658 1.00 0.00 H new ATOM 0 HG13 ILE B 951 67.288 -1.972 -8.196 1.00 0.00 H new ATOM 0 HG21 ILE B 951 68.094 -5.318 -9.689 1.00 0.00 H new ATOM 0 HG22 ILE B 951 69.715 -5.407 -8.961 1.00 0.00 H new ATOM 0 HG23 ILE B 951 68.270 -5.502 -7.928 1.00 0.00 H new ATOM 0 HD11 ILE B 951 65.465 -2.857 -9.627 1.00 0.00 H new ATOM 0 HD12 ILE B 951 66.959 -2.657 -10.573 1.00 0.00 H new ATOM 0 HD13 ILE B 951 66.461 -4.276 -10.027 1.00 0.00 H new ATOM 2023 N ASP B 952 68.577 -3.037 -5.239 1.00 0.00 N ATOM 2024 CA ASP B 952 68.036 -3.588 -4.001 1.00 0.00 C ATOM 2025 C ASP B 952 67.002 -4.668 -4.291 1.00 0.00 C ATOM 2026 O ASP B 952 65.799 -4.420 -4.262 1.00 0.00 O ATOM 2027 CB ASP B 952 67.388 -2.473 -3.176 1.00 0.00 C ATOM 2028 CG ASP B 952 68.437 -1.745 -2.335 1.00 0.00 C ATOM 2029 OD1 ASP B 952 69.585 -2.151 -2.364 1.00 0.00 O ATOM 2030 OD2 ASP B 952 68.072 -0.799 -1.659 1.00 0.00 O ATOM 0 H ASP B 952 68.594 -2.018 -5.279 1.00 0.00 H new ATOM 0 HA ASP B 952 68.857 -4.034 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP B 952 66.891 -1.765 -3.839 1.00 0.00 H new ATOM 0 HB3 ASP B 952 66.621 -2.894 -2.526 1.00 0.00 H new ATOM 2035 N ASP B 953 67.491 -5.873 -4.563 1.00 0.00 N ATOM 2036 CA ASP B 953 66.608 -6.997 -4.853 1.00 0.00 C ATOM 2037 C ASP B 953 66.454 -7.886 -3.623 1.00 0.00 C ATOM 2038 O ASP B 953 67.040 -7.559 -2.605 1.00 0.00 O ATOM 2039 CB ASP B 953 67.168 -7.820 -6.014 1.00 0.00 C ATOM 2040 CG ASP B 953 68.610 -8.223 -5.722 1.00 0.00 C ATOM 2041 OD1 ASP B 953 69.110 -7.838 -4.677 1.00 0.00 O ATOM 2042 OD2 ASP B 953 69.192 -8.908 -6.545 1.00 0.00 O ATOM 2043 OXT ASP B 953 65.751 -8.879 -3.718 1.00 0.00 O ATOM 0 H ASP B 953 68.486 -6.096 -4.589 1.00 0.00 H new ATOM 0 HA ASP B 953 65.630 -6.603 -5.129 1.00 0.00 H new ATOM 0 HB2 ASP B 953 66.557 -8.710 -6.167 1.00 0.00 H new ATOM 0 HB3 ASP B 953 67.124 -7.240 -6.936 1.00 0.00 H new TER 2048 ASP B 953