USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 723 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 27 GLN : amide:sc= -7.17! C(o=-15!,f=-11!) USER MOD Set 1.2: A 32 TYR OH : rot -30:sc= 0.496 USER MOD Set 1.3: A 103 ASN : amide:sc= -8.71! C(o=-15!,f=-13!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.79! USER MOD Single : A 8 THR OG1 : rot -140:sc= -5.46! USER MOD Single : A 10 SER OG : rot -140:sc= -0.375 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 97:sc=0.000236 USER MOD Single : A 20 LYS NZ :NH3+ -117:sc= -0.552 (180deg=-3.57!) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.0427 USER MOD Single : A 36 GLN : amide:sc= -16.5! C(o=-17!,f=-16!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.33! C(o=-5.3!,f=-22!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.562 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.176 USER MOD Single : A 65 THR OG1 : rot 62:sc= -0.47 USER MOD Single : A 66 SER OG : rot -78:sc= 0.845 USER MOD Single : A 68 THR OG1 : rot 130:sc= -3.19! USER MOD Single : A 72 SER OG : rot 58:sc= 0.297 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0886 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0804 K(o=-0.08,f=-1.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0201 USER MOD Single : A 113 ASN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 2 3.593 12.597 -5.202 1.00 0.00 N ATOM 12 CA ALA A 2 4.149 11.530 -4.393 1.00 0.00 C ATOM 13 C ALA A 2 5.424 12.010 -3.714 1.00 0.00 C ATOM 14 O ALA A 2 6.387 12.375 -4.385 1.00 0.00 O ATOM 15 CB ALA A 2 4.429 10.317 -5.275 1.00 0.00 C ATOM 0 HA ALA A 2 3.435 11.243 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.847 9.514 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.500 9.979 -5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.140 10.590 -6.054 1.00 0.00 H new ATOM 21 N PRO A 3 5.428 12.008 -2.379 1.00 0.00 N ATOM 22 CA PRO A 3 6.550 12.428 -1.566 1.00 0.00 C ATOM 23 C PRO A 3 7.654 11.383 -1.642 1.00 0.00 C ATOM 24 O PRO A 3 7.525 10.391 -2.357 1.00 0.00 O ATOM 25 CB PRO A 3 5.990 12.530 -0.149 1.00 0.00 C ATOM 26 CG PRO A 3 4.882 11.477 -0.146 1.00 0.00 C ATOM 27 CD PRO A 3 4.314 11.585 -1.559 1.00 0.00 C ATOM 0 HA PRO A 3 6.982 13.373 -1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.751 12.319 0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.602 13.526 0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.271 10.480 0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.127 11.686 0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.915 10.629 -1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.497 12.305 -1.602 1.00 0.00 H new ATOM 35 N THR A 4 8.743 11.608 -0.904 1.00 0.00 N ATOM 36 CA THR A 4 9.860 10.685 -0.895 1.00 0.00 C ATOM 37 C THR A 4 9.783 9.789 0.333 1.00 0.00 C ATOM 38 O THR A 4 9.983 10.250 1.455 1.00 0.00 O ATOM 39 CB THR A 4 11.168 11.471 -0.908 1.00 0.00 C ATOM 40 OG1 THR A 4 11.509 11.793 -2.238 1.00 0.00 O ATOM 41 CG2 THR A 4 12.278 10.625 -0.290 1.00 0.00 C ATOM 0 H THR A 4 8.867 12.425 -0.307 1.00 0.00 H new ATOM 0 HA THR A 4 9.820 10.054 -1.783 1.00 0.00 H new ATOM 0 HB THR A 4 11.046 12.388 -0.331 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.348 12.299 -2.247 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.212 11.187 -0.300 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.015 10.375 0.738 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.400 9.708 -0.866 1.00 0.00 H new ATOM 49 N ALA A 5 9.493 8.504 0.117 1.00 0.00 N ATOM 50 CA ALA A 5 9.390 7.550 1.204 1.00 0.00 C ATOM 51 C ALA A 5 10.264 6.340 0.911 1.00 0.00 C ATOM 52 O ALA A 5 10.269 5.830 -0.207 1.00 0.00 O ATOM 53 CB ALA A 5 7.932 7.135 1.378 1.00 0.00 C ATOM 0 H ALA A 5 9.326 8.107 -0.808 1.00 0.00 H new ATOM 0 HA ALA A 5 9.737 8.008 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.853 6.418 2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.328 8.013 1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.572 6.677 0.457 1.00 0.00 H new ATOM 59 N THR A 6 11.007 5.879 1.921 1.00 0.00 N ATOM 60 CA THR A 6 11.878 4.732 1.763 1.00 0.00 C ATOM 61 C THR A 6 11.187 3.480 2.283 1.00 0.00 C ATOM 62 O THR A 6 10.944 3.353 3.481 1.00 0.00 O ATOM 63 CB THR A 6 13.184 4.979 2.513 1.00 0.00 C ATOM 64 OG1 THR A 6 12.934 5.798 3.633 1.00 0.00 O ATOM 65 CG2 THR A 6 14.179 5.674 1.587 1.00 0.00 C ATOM 0 H THR A 6 11.016 6.290 2.855 1.00 0.00 H new ATOM 0 HA THR A 6 12.102 4.585 0.706 1.00 0.00 H new ATOM 0 HB THR A 6 13.599 4.027 2.844 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.772 5.956 4.116 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.112 5.851 2.122 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.372 5.042 0.720 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.764 6.626 1.256 1.00 0.00 H new ATOM 73 N VAL A 7 10.870 2.552 1.376 1.00 0.00 N ATOM 74 CA VAL A 7 10.209 1.316 1.745 1.00 0.00 C ATOM 75 C VAL A 7 11.178 0.151 1.598 1.00 0.00 C ATOM 76 O VAL A 7 12.122 0.222 0.815 1.00 0.00 O ATOM 77 CB VAL A 7 8.981 1.114 0.863 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.371 2.470 0.521 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.391 0.401 -0.423 1.00 0.00 C ATOM 0 H VAL A 7 11.065 2.642 0.379 1.00 0.00 H new ATOM 0 HA VAL A 7 9.887 1.366 2.785 1.00 0.00 H new ATOM 0 HB VAL A 7 8.246 0.510 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.494 2.326 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.078 2.979 1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.105 3.075 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.514 0.256 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.126 1.005 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.826 -0.568 -0.179 1.00 0.00 H new ATOM 89 N THR A 8 10.942 -0.923 2.354 1.00 0.00 N ATOM 90 CA THR A 8 11.795 -2.094 2.300 1.00 0.00 C ATOM 91 C THR A 8 11.644 -2.784 0.952 1.00 0.00 C ATOM 92 O THR A 8 10.807 -2.392 0.141 1.00 0.00 O ATOM 93 CB THR A 8 11.427 -3.043 3.437 1.00 0.00 C ATOM 94 OG1 THR A 8 12.603 -3.587 3.994 1.00 0.00 O ATOM 95 CG2 THR A 8 10.552 -4.170 2.896 1.00 0.00 C ATOM 0 H THR A 8 10.164 -0.998 3.009 1.00 0.00 H new ATOM 0 HA THR A 8 12.836 -1.794 2.416 1.00 0.00 H new ATOM 0 HB THR A 8 10.880 -2.496 4.205 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.459 -4.534 4.200 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.289 -4.848 3.708 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.643 -3.750 2.465 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.098 -4.718 2.128 1.00 0.00 H new ATOM 103 N PRO A 9 12.457 -3.815 0.714 1.00 0.00 N ATOM 104 CA PRO A 9 12.456 -4.590 -0.508 1.00 0.00 C ATOM 105 C PRO A 9 11.213 -5.468 -0.554 1.00 0.00 C ATOM 106 O PRO A 9 11.015 -6.313 0.316 1.00 0.00 O ATOM 107 CB PRO A 9 13.723 -5.439 -0.434 1.00 0.00 C ATOM 108 CG PRO A 9 13.909 -5.640 1.069 1.00 0.00 C ATOM 109 CD PRO A 9 13.452 -4.302 1.645 1.00 0.00 C ATOM 0 HA PRO A 9 12.441 -3.970 -1.404 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.605 -6.388 -0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.577 -4.931 -0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.309 -6.469 1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.946 -5.857 1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.032 -4.425 2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.285 -3.605 1.733 1.00 0.00 H new ATOM 117 N SER A 10 10.375 -5.266 -1.573 1.00 0.00 N ATOM 118 CA SER A 10 9.158 -6.038 -1.725 1.00 0.00 C ATOM 119 C SER A 10 9.274 -6.950 -2.939 1.00 0.00 C ATOM 120 O SER A 10 8.368 -7.001 -3.768 1.00 0.00 O ATOM 121 CB SER A 10 7.971 -5.091 -1.871 1.00 0.00 C ATOM 122 OG SER A 10 8.102 -4.354 -3.066 1.00 0.00 O ATOM 0 H SER A 10 10.525 -4.570 -2.303 1.00 0.00 H new ATOM 0 HA SER A 10 9.004 -6.659 -0.843 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.040 -5.657 -1.881 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.924 -4.415 -1.017 1.00 0.00 H new ATOM 0 HG SER A 10 7.823 -3.427 -2.911 1.00 0.00 H new ATOM 128 N SER A 11 10.392 -7.672 -3.040 1.00 0.00 N ATOM 129 CA SER A 11 10.618 -8.578 -4.148 1.00 0.00 C ATOM 130 C SER A 11 11.029 -9.945 -3.622 1.00 0.00 C ATOM 131 O SER A 11 12.156 -10.124 -3.164 1.00 0.00 O ATOM 132 CB SER A 11 11.697 -8.003 -5.062 1.00 0.00 C ATOM 133 OG SER A 11 11.452 -6.630 -5.272 1.00 0.00 O ATOM 0 H SER A 11 11.152 -7.640 -2.361 1.00 0.00 H new ATOM 0 HA SER A 11 9.698 -8.694 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.681 -8.144 -4.614 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.702 -8.532 -6.015 1.00 0.00 H new ATOM 0 HG SER A 11 12.145 -6.260 -5.857 1.00 0.00 H new ATOM 139 N GLY A 12 10.112 -10.914 -3.688 1.00 0.00 N ATOM 140 CA GLY A 12 10.388 -12.257 -3.218 1.00 0.00 C ATOM 141 C GLY A 12 9.990 -12.396 -1.756 1.00 0.00 C ATOM 142 O GLY A 12 10.603 -13.159 -1.013 1.00 0.00 O ATOM 0 H GLY A 12 9.173 -10.784 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.840 -12.981 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.448 -12.481 -3.336 1.00 0.00 H new ATOM 146 N LEU A 13 8.958 -11.656 -1.343 1.00 0.00 N ATOM 147 CA LEU A 13 8.483 -11.699 0.025 1.00 0.00 C ATOM 148 C LEU A 13 7.192 -12.501 0.098 1.00 0.00 C ATOM 149 O LEU A 13 6.274 -12.276 -0.687 1.00 0.00 O ATOM 150 CB LEU A 13 8.267 -10.277 0.534 1.00 0.00 C ATOM 151 CG LEU A 13 9.367 -9.370 -0.009 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.631 -8.241 0.983 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.644 -10.182 -0.207 1.00 0.00 C ATOM 0 H LEU A 13 8.439 -11.019 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 13 9.226 -12.187 0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.290 -9.911 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.275 -10.264 1.624 1.00 0.00 H new ATOM 0 HG LEU A 13 9.052 -8.949 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.417 -7.593 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.719 -7.661 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.946 -8.662 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.430 -9.535 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.959 -10.603 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.456 -10.989 -0.915 1.00 0.00 H new ATOM 165 N SER A 14 7.122 -13.438 1.047 1.00 0.00 N ATOM 166 CA SER A 14 5.944 -14.265 1.217 1.00 0.00 C ATOM 167 C SER A 14 5.213 -13.866 2.491 1.00 0.00 C ATOM 168 O SER A 14 5.709 -13.049 3.265 1.00 0.00 O ATOM 169 CB SER A 14 6.358 -15.733 1.268 1.00 0.00 C ATOM 170 OG SER A 14 5.485 -16.495 0.464 1.00 0.00 O ATOM 0 H SER A 14 7.874 -13.637 1.707 1.00 0.00 H new ATOM 0 HA SER A 14 5.268 -14.120 0.374 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.384 -15.845 0.917 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.331 -16.094 2.296 1.00 0.00 H new ATOM 0 HG SER A 14 5.751 -17.438 0.495 1.00 0.00 H new ATOM 176 N ASP A 15 4.030 -14.445 2.709 1.00 0.00 N ATOM 177 CA ASP A 15 3.239 -14.148 3.886 1.00 0.00 C ATOM 178 C ASP A 15 4.111 -14.237 5.130 1.00 0.00 C ATOM 179 O ASP A 15 4.978 -15.103 5.221 1.00 0.00 O ATOM 180 CB ASP A 15 2.071 -15.128 3.973 1.00 0.00 C ATOM 181 CG ASP A 15 1.721 -15.427 5.424 1.00 0.00 C ATOM 182 OD1 ASP A 15 1.633 -14.451 6.200 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.546 -16.627 5.729 1.00 0.00 O ATOM 0 H ASP A 15 3.605 -15.124 2.078 1.00 0.00 H new ATOM 0 HA ASP A 15 2.843 -13.135 3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.202 -14.711 3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.328 -16.054 3.458 1.00 0.00 H new ATOM 188 N GLY A 16 3.882 -13.337 6.089 1.00 0.00 N ATOM 189 CA GLY A 16 4.650 -13.322 7.318 1.00 0.00 C ATOM 190 C GLY A 16 5.710 -12.230 7.265 1.00 0.00 C ATOM 191 O GLY A 16 6.180 -11.768 8.302 1.00 0.00 O ATOM 0 H GLY A 16 3.168 -12.611 6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.987 -13.154 8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.124 -14.292 7.470 1.00 0.00 H new ATOM 195 N THR A 17 6.085 -11.818 6.052 1.00 0.00 N ATOM 196 CA THR A 17 7.084 -10.784 5.874 1.00 0.00 C ATOM 197 C THR A 17 6.468 -9.417 6.133 1.00 0.00 C ATOM 198 O THR A 17 5.272 -9.222 5.925 1.00 0.00 O ATOM 199 CB THR A 17 7.650 -10.862 4.459 1.00 0.00 C ATOM 200 OG1 THR A 17 8.481 -11.996 4.348 1.00 0.00 O ATOM 201 CG2 THR A 17 8.463 -9.605 4.166 1.00 0.00 C ATOM 0 H THR A 17 5.706 -12.191 5.182 1.00 0.00 H new ATOM 0 HA THR A 17 7.896 -10.934 6.586 1.00 0.00 H new ATOM 0 HB THR A 17 6.831 -10.939 3.744 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.974 -12.736 3.953 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.867 -9.661 3.155 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.821 -8.728 4.252 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.282 -9.527 4.881 1.00 0.00 H new ATOM 209 N VAL A 18 7.289 -8.468 6.589 1.00 0.00 N ATOM 210 CA VAL A 18 6.824 -7.126 6.874 1.00 0.00 C ATOM 211 C VAL A 18 7.572 -6.126 6.005 1.00 0.00 C ATOM 212 O VAL A 18 8.796 -6.179 5.907 1.00 0.00 O ATOM 213 CB VAL A 18 7.033 -6.819 8.354 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.522 -6.881 8.681 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.502 -5.422 8.664 1.00 0.00 C ATOM 0 H VAL A 18 8.283 -8.614 6.767 1.00 0.00 H new ATOM 0 HA VAL A 18 5.760 -7.050 6.648 1.00 0.00 H new ATOM 0 HB VAL A 18 6.498 -7.553 8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.672 -6.662 9.738 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.902 -7.878 8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.058 -6.147 8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.651 -5.202 9.721 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.037 -4.688 8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.438 -5.377 8.431 1.00 0.00 H new ATOM 225 N VAL A 19 6.833 -5.212 5.372 1.00 0.00 N ATOM 226 CA VAL A 19 7.428 -4.206 4.516 1.00 0.00 C ATOM 227 C VAL A 19 7.638 -2.919 5.302 1.00 0.00 C ATOM 228 O VAL A 19 6.949 -2.673 6.289 1.00 0.00 O ATOM 229 CB VAL A 19 6.523 -3.963 3.312 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.242 -3.068 2.307 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.184 -5.297 2.654 1.00 0.00 C ATOM 0 H VAL A 19 5.817 -5.155 5.443 1.00 0.00 H new ATOM 0 HA VAL A 19 8.398 -4.553 4.160 1.00 0.00 H new ATOM 0 HB VAL A 19 5.605 -3.476 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.596 -2.894 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.485 -2.115 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.160 -3.555 1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.537 -5.124 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.102 -5.785 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.670 -5.936 3.372 1.00 0.00 H new ATOM 241 N LYS A 20 8.594 -2.097 4.861 1.00 0.00 N ATOM 242 CA LYS A 20 8.887 -0.843 5.525 1.00 0.00 C ATOM 243 C LYS A 20 8.513 0.322 4.619 1.00 0.00 C ATOM 244 O LYS A 20 8.664 0.239 3.403 1.00 0.00 O ATOM 245 CB LYS A 20 10.369 -0.793 5.885 1.00 0.00 C ATOM 246 CG LYS A 20 10.540 -0.111 7.239 1.00 0.00 C ATOM 247 CD LYS A 20 10.547 1.403 7.049 1.00 0.00 C ATOM 248 CE LYS A 20 11.400 2.049 8.137 1.00 0.00 C ATOM 249 NZ LYS A 20 12.299 3.066 7.570 1.00 0.00 N ATOM 0 H LYS A 20 9.175 -2.286 4.044 1.00 0.00 H new ATOM 0 HA LYS A 20 8.301 -0.767 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.780 -1.802 5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.922 -0.249 5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.730 -0.400 7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.471 -0.434 7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.942 1.655 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.529 1.790 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.754 2.507 8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.986 1.284 8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.287 2.780 7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.119 3.159 6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.127 3.980 8.036 1.00 0.00 H new ATOM 263 N VAL A 21 8.023 1.411 5.217 1.00 0.00 N ATOM 264 CA VAL A 21 7.630 2.585 4.465 1.00 0.00 C ATOM 265 C VAL A 21 7.949 3.840 5.266 1.00 0.00 C ATOM 266 O VAL A 21 7.317 4.103 6.287 1.00 0.00 O ATOM 267 CB VAL A 21 6.139 2.510 4.147 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.385 3.522 5.005 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.918 2.828 2.671 1.00 0.00 C ATOM 0 H VAL A 21 7.892 1.495 6.225 1.00 0.00 H new ATOM 0 HA VAL A 21 8.185 2.625 3.528 1.00 0.00 H new ATOM 0 HB VAL A 21 5.771 1.507 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.320 3.469 4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.544 3.295 6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.752 4.526 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.854 2.775 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.285 3.831 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.457 2.105 2.058 1.00 0.00 H new ATOM 279 N ALA A 22 8.931 4.614 4.800 1.00 0.00 N ATOM 280 CA ALA A 22 9.328 5.834 5.473 1.00 0.00 C ATOM 281 C ALA A 22 9.158 7.020 4.535 1.00 0.00 C ATOM 282 O ALA A 22 9.819 7.096 3.502 1.00 0.00 O ATOM 283 CB ALA A 22 10.778 5.711 5.933 1.00 0.00 C ATOM 0 H ALA A 22 9.463 4.409 3.954 1.00 0.00 H new ATOM 0 HA ALA A 22 8.696 5.994 6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.078 6.628 6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.872 4.870 6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.421 5.547 5.069 1.00 0.00 H new ATOM 289 N GLY A 23 8.268 7.947 4.895 1.00 0.00 N ATOM 290 CA GLY A 23 8.019 9.120 4.081 1.00 0.00 C ATOM 291 C GLY A 23 9.059 10.194 4.371 1.00 0.00 C ATOM 292 O GLY A 23 9.528 10.318 5.501 1.00 0.00 O ATOM 0 H GLY A 23 7.711 7.900 5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.048 8.851 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.020 9.507 4.284 1.00 0.00 H new ATOM 296 N ALA A 24 9.419 10.970 3.347 1.00 0.00 N ATOM 297 CA ALA A 24 10.400 12.026 3.495 1.00 0.00 C ATOM 298 C ALA A 24 10.097 13.152 2.517 1.00 0.00 C ATOM 299 O ALA A 24 10.248 12.985 1.309 1.00 0.00 O ATOM 300 CB ALA A 24 11.796 11.459 3.252 1.00 0.00 C ATOM 0 H ALA A 24 9.039 10.879 2.405 1.00 0.00 H new ATOM 0 HA ALA A 24 10.357 12.429 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.535 12.252 3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.999 10.670 3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.852 11.049 2.243 1.00 0.00 H new ATOM 306 N GLY A 25 9.668 14.303 3.041 1.00 0.00 N ATOM 307 CA GLY A 25 9.347 15.445 2.209 1.00 0.00 C ATOM 308 C GLY A 25 7.840 15.566 2.037 1.00 0.00 C ATOM 309 O GLY A 25 7.368 16.291 1.164 1.00 0.00 O ATOM 0 H GLY A 25 9.538 14.460 4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.743 16.355 2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.824 15.339 1.235 1.00 0.00 H new ATOM 313 N LEU A 26 7.083 14.852 2.873 1.00 0.00 N ATOM 314 CA LEU A 26 5.636 14.881 2.811 1.00 0.00 C ATOM 315 C LEU A 26 5.102 15.990 3.707 1.00 0.00 C ATOM 316 O LEU A 26 5.875 16.692 4.356 1.00 0.00 O ATOM 317 CB LEU A 26 5.081 13.526 3.240 1.00 0.00 C ATOM 318 CG LEU A 26 6.217 12.510 3.309 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.885 12.587 4.679 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.659 11.107 3.093 1.00 0.00 C ATOM 0 H LEU A 26 7.459 14.246 3.602 1.00 0.00 H new ATOM 0 HA LEU A 26 5.317 15.082 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.595 13.611 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.322 13.191 2.533 1.00 0.00 H new ATOM 0 HG LEU A 26 6.951 12.732 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.697 11.861 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.284 13.589 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.152 12.365 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.471 10.381 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.925 10.884 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.182 11.052 2.115 1.00 0.00 H new ATOM 332 N GLN A 27 3.777 16.147 3.741 1.00 0.00 N ATOM 333 CA GLN A 27 3.149 17.168 4.555 1.00 0.00 C ATOM 334 C GLN A 27 3.481 16.936 6.022 1.00 0.00 C ATOM 335 O GLN A 27 3.179 15.878 6.569 1.00 0.00 O ATOM 336 CB GLN A 27 1.640 17.138 4.331 1.00 0.00 C ATOM 337 CG GLN A 27 1.319 17.691 2.945 1.00 0.00 C ATOM 338 CD GLN A 27 -0.099 17.328 2.531 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.935 18.208 2.333 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.370 16.027 2.400 1.00 0.00 N ATOM 0 H GLN A 27 3.123 15.573 3.209 1.00 0.00 H new ATOM 0 HA GLN A 27 3.527 18.150 4.269 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.269 16.117 4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.136 17.730 5.096 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.436 18.775 2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.027 17.294 2.218 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.358 15.334 2.575 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.305 15.726 2.124 1.00 0.00 H new ATOM 349 N ALA A 28 4.105 17.930 6.659 1.00 0.00 N ATOM 350 CA ALA A 28 4.475 17.829 8.056 1.00 0.00 C ATOM 351 C ALA A 28 3.233 17.948 8.928 1.00 0.00 C ATOM 352 O ALA A 28 2.418 18.847 8.732 1.00 0.00 O ATOM 353 CB ALA A 28 5.480 18.925 8.395 1.00 0.00 C ATOM 0 H ALA A 28 4.362 18.814 6.219 1.00 0.00 H new ATOM 0 HA ALA A 28 4.936 16.860 8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.759 18.850 9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.368 18.809 7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.032 19.901 8.207 1.00 0.00 H new ATOM 359 N GLY A 29 3.088 17.037 9.894 1.00 0.00 N ATOM 360 CA GLY A 29 1.946 17.049 10.786 1.00 0.00 C ATOM 361 C GLY A 29 0.704 16.552 10.059 1.00 0.00 C ATOM 362 O GLY A 29 -0.401 16.623 10.593 1.00 0.00 O ATOM 0 H GLY A 29 3.753 16.284 10.071 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.146 16.418 11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.778 18.059 11.159 1.00 0.00 H new ATOM 366 N THR A 30 0.888 16.046 8.837 1.00 0.00 N ATOM 367 CA THR A 30 -0.218 15.541 8.049 1.00 0.00 C ATOM 368 C THR A 30 -0.378 14.045 8.278 1.00 0.00 C ATOM 369 O THR A 30 0.609 13.328 8.430 1.00 0.00 O ATOM 370 CB THR A 30 0.034 15.837 6.573 1.00 0.00 C ATOM 371 OG1 THR A 30 -0.921 16.767 6.111 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.082 14.546 5.768 1.00 0.00 C ATOM 0 H THR A 30 1.797 15.979 8.379 1.00 0.00 H new ATOM 0 HA THR A 30 -1.141 16.035 8.355 1.00 0.00 H new ATOM 0 HB THR A 30 1.034 16.252 6.451 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.974 16.723 5.133 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.098 14.757 4.714 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.655 13.827 6.125 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.082 14.130 5.889 1.00 0.00 H new ATOM 380 N ALA A 31 -1.627 13.574 8.303 1.00 0.00 N ATOM 381 CA ALA A 31 -1.910 12.169 8.514 1.00 0.00 C ATOM 382 C ALA A 31 -1.874 11.430 7.184 1.00 0.00 C ATOM 383 O ALA A 31 -2.156 12.014 6.139 1.00 0.00 O ATOM 384 CB ALA A 31 -3.277 12.021 9.177 1.00 0.00 C ATOM 0 H ALA A 31 -2.456 14.155 8.178 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.154 11.736 9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.492 10.964 9.336 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.274 12.539 10.136 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.043 12.453 8.533 1.00 0.00 H new ATOM 390 N TYR A 32 -1.525 10.143 7.223 1.00 0.00 N ATOM 391 CA TYR A 32 -1.452 9.335 6.022 1.00 0.00 C ATOM 392 C TYR A 32 -2.052 7.961 6.287 1.00 0.00 C ATOM 393 O TYR A 32 -1.850 7.389 7.355 1.00 0.00 O ATOM 394 CB TYR A 32 0.004 9.213 5.581 1.00 0.00 C ATOM 395 CG TYR A 32 0.544 10.465 4.932 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.016 10.930 3.736 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.604 11.159 5.526 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.484 12.091 3.134 1.00 0.00 C ATOM 399 CE2 TYR A 32 2.105 12.321 4.924 1.00 0.00 C ATOM 400 CZ TYR A 32 1.545 12.786 3.728 1.00 0.00 C ATOM 401 OH TYR A 32 2.032 13.918 3.142 1.00 0.00 O ATOM 0 H TYR A 32 -1.289 9.644 8.081 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.022 9.810 5.224 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.618 8.969 6.447 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.095 8.382 4.881 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.834 10.393 3.278 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.036 10.799 6.448 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.052 12.451 2.212 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.923 12.858 5.382 1.00 0.00 H new ATOM 0 HH TYR A 32 1.916 13.859 2.171 1.00 0.00 H new ATOM 411 N ASP A 33 -2.792 7.433 5.309 1.00 0.00 N ATOM 412 CA ASP A 33 -3.418 6.133 5.441 1.00 0.00 C ATOM 413 C ASP A 33 -2.646 5.105 4.626 1.00 0.00 C ATOM 414 O ASP A 33 -2.595 5.194 3.401 1.00 0.00 O ATOM 415 CB ASP A 33 -4.868 6.217 4.973 1.00 0.00 C ATOM 416 CG ASP A 33 -5.792 6.579 6.127 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.270 6.692 7.257 1.00 0.00 O ATOM 418 OD2 ASP A 33 -7.002 6.736 5.858 1.00 0.00 O ATOM 0 H ASP A 33 -2.968 7.895 4.417 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.406 5.823 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.957 6.963 4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.172 5.262 4.545 1.00 0.00 H new ATOM 423 N VAL A 34 -2.045 4.128 5.309 1.00 0.00 N ATOM 424 CA VAL A 34 -1.280 3.091 4.647 1.00 0.00 C ATOM 425 C VAL A 34 -2.112 1.821 4.548 1.00 0.00 C ATOM 426 O VAL A 34 -2.823 1.468 5.487 1.00 0.00 O ATOM 427 CB VAL A 34 0.008 2.835 5.424 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.130 2.488 4.449 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.386 4.088 6.209 1.00 0.00 C ATOM 0 H VAL A 34 -2.079 4.041 6.325 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.022 3.412 3.638 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.143 2.005 6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.050 2.305 5.004 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.861 1.593 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.281 3.318 3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.306 3.906 6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.537 4.918 5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.415 4.336 6.905 1.00 0.00 H new ATOM 439 N GLY A 35 -2.024 1.132 3.408 1.00 0.00 N ATOM 440 CA GLY A 35 -2.770 -0.093 3.199 1.00 0.00 C ATOM 441 C GLY A 35 -2.149 -0.902 2.069 1.00 0.00 C ATOM 442 O GLY A 35 -1.276 -0.411 1.357 1.00 0.00 O ATOM 0 H GLY A 35 -1.440 1.409 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.779 -0.683 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.808 0.141 2.961 1.00 0.00 H new ATOM 446 N GLN A 36 -2.603 -2.147 1.907 1.00 0.00 N ATOM 447 CA GLN A 36 -2.090 -3.017 0.867 1.00 0.00 C ATOM 448 C GLN A 36 -3.221 -3.434 -0.062 1.00 0.00 C ATOM 449 O GLN A 36 -4.136 -4.144 0.350 1.00 0.00 O ATOM 450 CB GLN A 36 -1.436 -4.240 1.506 1.00 0.00 C ATOM 451 CG GLN A 36 -1.305 -5.349 0.467 1.00 0.00 C ATOM 452 CD GLN A 36 -0.698 -6.601 1.083 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.395 -7.375 1.736 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.606 -6.798 0.875 1.00 0.00 N ATOM 0 H GLN A 36 -3.327 -2.569 2.489 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.342 -2.486 0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.454 -3.977 1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.034 -4.586 2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.286 -5.582 0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.682 -5.007 -0.360 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.142 -6.126 0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.066 -7.620 1.265 1.00 0.00 H new ATOM 463 N CYS A 37 -3.155 -2.992 -1.320 1.00 0.00 N ATOM 464 CA CYS A 37 -4.170 -3.320 -2.301 1.00 0.00 C ATOM 465 C CYS A 37 -3.625 -4.349 -3.281 1.00 0.00 C ATOM 466 O CYS A 37 -2.434 -4.652 -3.267 1.00 0.00 O ATOM 467 CB CYS A 37 -4.600 -2.051 -3.031 1.00 0.00 C ATOM 468 SG CYS A 37 -5.371 -0.811 -1.961 1.00 0.00 S ATOM 0 H CYS A 37 -2.402 -2.404 -1.676 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.040 -3.748 -1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.728 -1.608 -3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.300 -2.319 -3.822 1.00 0.00 H new ATOM 473 N ALA A 38 -4.501 -4.886 -4.134 1.00 0.00 N ATOM 474 CA ALA A 38 -4.104 -5.877 -5.113 1.00 0.00 C ATOM 475 C ALA A 38 -5.094 -5.883 -6.270 1.00 0.00 C ATOM 476 O ALA A 38 -6.304 -5.893 -6.054 1.00 0.00 O ATOM 477 CB ALA A 38 -4.040 -7.250 -4.450 1.00 0.00 C ATOM 0 H ALA A 38 -5.492 -4.644 -4.159 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.117 -5.631 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.741 -7.996 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.312 -7.229 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.021 -7.507 -4.050 1.00 0.00 H new ATOM 483 N TRP A 39 -4.577 -5.877 -7.501 1.00 0.00 N ATOM 484 CA TRP A 39 -5.420 -5.883 -8.680 1.00 0.00 C ATOM 485 C TRP A 39 -6.205 -7.185 -8.749 1.00 0.00 C ATOM 486 O TRP A 39 -5.631 -8.266 -8.636 1.00 0.00 O ATOM 487 CB TRP A 39 -4.554 -5.707 -9.924 1.00 0.00 C ATOM 488 CG TRP A 39 -4.999 -6.489 -11.117 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.279 -6.621 -11.531 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.194 -7.256 -12.064 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.320 -7.410 -12.661 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.059 -7.830 -13.034 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.820 -7.524 -12.202 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.590 -8.626 -14.082 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.339 -8.322 -13.250 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.218 -8.873 -14.189 1.00 0.00 C ATOM 0 H TRP A 39 -3.576 -5.868 -7.698 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.130 -5.058 -8.627 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.534 -4.650 -10.188 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.531 -5.994 -9.680 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.138 -6.177 -11.050 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.176 -7.653 -13.160 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.124 -7.108 -11.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.279 -9.045 -14.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.279 -8.513 -13.333 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.838 -9.486 -14.993 1.00 0.00 H new ATOM 507 N VAL A 40 -7.523 -7.079 -8.937 1.00 0.00 N ATOM 508 CA VAL A 40 -8.380 -8.245 -9.020 1.00 0.00 C ATOM 509 C VAL A 40 -8.902 -8.398 -10.441 1.00 0.00 C ATOM 510 O VAL A 40 -9.030 -9.514 -10.940 1.00 0.00 O ATOM 511 CB VAL A 40 -9.533 -8.099 -8.032 1.00 0.00 C ATOM 512 CG1 VAL A 40 -9.033 -8.387 -6.619 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.082 -6.676 -8.097 1.00 0.00 C ATOM 0 H VAL A 40 -8.013 -6.190 -9.034 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.812 -9.139 -8.764 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.322 -8.805 -8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.857 -8.283 -5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.641 -9.403 -6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.243 -7.681 -6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.906 -6.571 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.293 -5.969 -7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.440 -6.470 -9.106 1.00 0.00 H new ATOM 523 N ASP A 41 -9.204 -7.273 -11.093 1.00 0.00 N ATOM 524 CA ASP A 41 -9.711 -7.289 -12.451 1.00 0.00 C ATOM 525 C ASP A 41 -9.240 -6.046 -13.191 1.00 0.00 C ATOM 526 O ASP A 41 -8.766 -5.096 -12.572 1.00 0.00 O ATOM 527 CB ASP A 41 -11.236 -7.357 -12.423 1.00 0.00 C ATOM 528 CG ASP A 41 -11.736 -8.623 -13.103 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.508 -9.707 -12.524 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.338 -8.483 -14.190 1.00 0.00 O ATOM 0 H ASP A 41 -9.103 -6.340 -10.693 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.331 -8.166 -12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.586 -7.331 -11.391 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.652 -6.482 -12.923 1.00 0.00 H new ATOM 535 N THR A 42 -9.371 -6.053 -14.519 1.00 0.00 N ATOM 536 CA THR A 42 -8.957 -4.926 -15.331 1.00 0.00 C ATOM 537 C THR A 42 -9.604 -3.649 -14.813 1.00 0.00 C ATOM 538 O THR A 42 -10.821 -3.494 -14.881 1.00 0.00 O ATOM 539 CB THR A 42 -9.347 -5.177 -16.785 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.445 -6.096 -17.360 1.00 0.00 O ATOM 541 CG2 THR A 42 -9.297 -3.863 -17.559 1.00 0.00 C ATOM 0 H THR A 42 -9.762 -6.832 -15.048 1.00 0.00 H new ATOM 0 HA THR A 42 -7.875 -4.810 -15.272 1.00 0.00 H new ATOM 0 HB THR A 42 -10.357 -5.584 -16.826 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.695 -6.260 -18.293 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.575 -4.042 -18.598 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.993 -3.152 -17.114 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.287 -3.455 -17.519 1.00 0.00 H new ATOM 549 N GLY A 43 -8.785 -2.731 -14.294 1.00 0.00 N ATOM 550 CA GLY A 43 -9.284 -1.476 -13.769 1.00 0.00 C ATOM 551 C GLY A 43 -10.015 -1.707 -12.454 1.00 0.00 C ATOM 552 O GLY A 43 -10.588 -0.779 -11.887 1.00 0.00 O ATOM 0 H GLY A 43 -7.773 -2.842 -14.230 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.456 -0.783 -13.616 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.957 -1.014 -14.491 1.00 0.00 H new ATOM 556 N VAL A 44 -9.993 -2.951 -11.969 1.00 0.00 N ATOM 557 CA VAL A 44 -10.652 -3.299 -10.726 1.00 0.00 C ATOM 558 C VAL A 44 -9.637 -3.876 -9.749 1.00 0.00 C ATOM 559 O VAL A 44 -8.999 -4.886 -10.039 1.00 0.00 O ATOM 560 CB VAL A 44 -11.766 -4.303 -11.005 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.404 -4.735 -9.688 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.823 -3.655 -11.894 1.00 0.00 C ATOM 0 H VAL A 44 -9.521 -3.731 -12.427 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.090 -2.406 -10.279 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.351 -5.175 -11.510 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.200 -5.452 -9.887 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.649 -5.198 -9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.819 -3.864 -9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.619 -4.372 -12.094 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.238 -2.783 -11.389 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.368 -3.347 -12.835 1.00 0.00 H new ATOM 572 N LEU A 45 -9.489 -3.232 -8.589 1.00 0.00 N ATOM 573 CA LEU A 45 -8.554 -3.684 -7.578 1.00 0.00 C ATOM 574 C LEU A 45 -9.284 -3.895 -6.258 1.00 0.00 C ATOM 575 O LEU A 45 -10.398 -3.409 -6.078 1.00 0.00 O ATOM 576 CB LEU A 45 -7.439 -2.654 -7.420 1.00 0.00 C ATOM 577 CG LEU A 45 -7.934 -1.497 -6.556 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.710 -1.830 -5.084 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.164 -0.229 -6.915 1.00 0.00 C ATOM 0 H LEU A 45 -10.011 -2.394 -8.334 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.113 -4.633 -7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.565 -3.116 -6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.129 -2.285 -8.398 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.998 -1.338 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.063 -1.004 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.260 -2.736 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.647 -1.988 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.517 0.598 -6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.100 -0.386 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.324 0.009 -7.967 1.00 0.00 H new ATOM 591 N ALA A 46 -8.650 -4.621 -5.334 1.00 0.00 N ATOM 592 CA ALA A 46 -9.240 -4.893 -4.039 1.00 0.00 C ATOM 593 C ALA A 46 -8.271 -4.491 -2.937 1.00 0.00 C ATOM 594 O ALA A 46 -7.061 -4.649 -3.083 1.00 0.00 O ATOM 595 CB ALA A 46 -9.587 -6.376 -3.940 1.00 0.00 C ATOM 0 H ALA A 46 -7.725 -5.029 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.154 -4.311 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.031 -6.582 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.297 -6.637 -4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.681 -6.970 -4.058 1.00 0.00 H new ATOM 601 N CYS A 47 -8.806 -3.968 -1.831 1.00 0.00 N ATOM 602 CA CYS A 47 -7.989 -3.546 -0.711 1.00 0.00 C ATOM 603 C CYS A 47 -8.206 -4.485 0.467 1.00 0.00 C ATOM 604 O CYS A 47 -9.284 -5.056 0.618 1.00 0.00 O ATOM 605 CB CYS A 47 -8.348 -2.112 -0.333 1.00 0.00 C ATOM 606 SG CYS A 47 -7.621 -0.861 -1.421 1.00 0.00 S ATOM 0 H CYS A 47 -9.807 -3.830 -1.695 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.936 -3.581 -0.989 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.433 -2.004 -0.346 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.021 -1.924 0.690 1.00 0.00 H new ATOM 611 N ASN A 48 -7.178 -4.645 1.303 1.00 0.00 N ATOM 612 CA ASN A 48 -7.263 -5.512 2.461 1.00 0.00 C ATOM 613 C ASN A 48 -7.267 -4.679 3.735 1.00 0.00 C ATOM 614 O ASN A 48 -6.237 -4.136 4.128 1.00 0.00 O ATOM 615 CB ASN A 48 -6.086 -6.483 2.455 1.00 0.00 C ATOM 616 CG ASN A 48 -6.039 -7.289 3.745 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.987 -7.267 4.527 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.933 -8.003 3.966 1.00 0.00 N ATOM 0 H ASN A 48 -6.277 -4.180 1.192 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.191 -6.083 2.423 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.171 -7.158 1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.154 -5.930 2.333 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.848 -8.563 4.814 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.173 -7.989 3.286 1.00 0.00 H new ATOM 625 N PRO A 49 -8.432 -4.579 4.380 1.00 0.00 N ATOM 626 CA PRO A 49 -8.625 -3.833 5.605 1.00 0.00 C ATOM 627 C PRO A 49 -7.966 -4.571 6.761 1.00 0.00 C ATOM 628 O PRO A 49 -8.018 -4.115 7.901 1.00 0.00 O ATOM 629 CB PRO A 49 -10.139 -3.767 5.788 1.00 0.00 C ATOM 630 CG PRO A 49 -10.617 -5.060 5.128 1.00 0.00 C ATOM 631 CD PRO A 49 -9.662 -5.205 3.945 1.00 0.00 C ATOM 0 HA PRO A 49 -8.183 -2.837 5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.418 -3.723 6.841 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.566 -2.886 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.552 -5.910 5.808 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.655 -4.990 4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.504 -6.253 3.691 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -10.060 -4.718 3.054 1.00 0.00 H new ATOM 639 N ALA A 50 -7.347 -5.716 6.465 1.00 0.00 N ATOM 640 CA ALA A 50 -6.685 -6.512 7.479 1.00 0.00 C ATOM 641 C ALA A 50 -5.246 -6.044 7.644 1.00 0.00 C ATOM 642 O ALA A 50 -4.574 -6.422 8.601 1.00 0.00 O ATOM 643 CB ALA A 50 -6.733 -7.984 7.081 1.00 0.00 C ATOM 0 H ALA A 50 -7.295 -6.107 5.524 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.197 -6.391 8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.235 -8.583 7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.771 -8.303 6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.227 -8.119 6.125 1.00 0.00 H new ATOM 649 N ASP A 51 -4.774 -5.219 6.707 1.00 0.00 N ATOM 650 CA ASP A 51 -3.419 -4.706 6.752 1.00 0.00 C ATOM 651 C ASP A 51 -3.439 -3.189 6.634 1.00 0.00 C ATOM 652 O ASP A 51 -2.479 -2.589 6.154 1.00 0.00 O ATOM 653 CB ASP A 51 -2.603 -5.326 5.622 1.00 0.00 C ATOM 654 CG ASP A 51 -3.293 -5.127 4.280 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.858 -4.028 4.090 1.00 0.00 O ATOM 656 OD2 ASP A 51 -3.244 -6.078 3.470 1.00 0.00 O ATOM 0 H ASP A 51 -5.319 -4.896 5.908 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.957 -4.971 7.703 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.611 -4.876 5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.465 -6.391 5.810 1.00 0.00 H new ATOM 661 N PHE A 52 -4.536 -2.567 7.072 1.00 0.00 N ATOM 662 CA PHE A 52 -4.672 -1.126 7.012 1.00 0.00 C ATOM 663 C PHE A 52 -3.940 -0.488 8.185 1.00 0.00 C ATOM 664 O PHE A 52 -4.421 -0.530 9.315 1.00 0.00 O ATOM 665 CB PHE A 52 -6.152 -0.754 7.030 1.00 0.00 C ATOM 666 CG PHE A 52 -6.641 -0.163 5.730 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.767 0.574 4.923 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.970 -0.353 5.331 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.220 1.121 3.717 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.423 0.194 4.125 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.548 0.931 3.317 1.00 0.00 C ATOM 0 H PHE A 52 -5.341 -3.049 7.472 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.229 -0.754 6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.739 -1.643 7.259 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.329 -0.040 7.834 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.742 0.721 5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.645 -0.921 5.954 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.545 1.690 3.095 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.448 0.048 3.817 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.898 1.352 2.386 1.00 0.00 H new ATOM 681 N SER A 53 -2.775 0.103 7.913 1.00 0.00 N ATOM 682 CA SER A 53 -1.986 0.745 8.945 1.00 0.00 C ATOM 683 C SER A 53 -2.220 2.249 8.913 1.00 0.00 C ATOM 684 O SER A 53 -2.845 2.763 7.988 1.00 0.00 O ATOM 685 CB SER A 53 -0.510 0.423 8.731 1.00 0.00 C ATOM 686 OG SER A 53 0.281 1.340 9.454 1.00 0.00 O ATOM 0 H SER A 53 -2.363 0.146 6.981 1.00 0.00 H new ATOM 0 HA SER A 53 -2.288 0.371 9.923 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.298 -0.595 9.059 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.266 0.473 7.670 1.00 0.00 H new ATOM 0 HG SER A 53 1.229 1.132 9.318 1.00 0.00 H new ATOM 692 N SER A 54 -1.714 2.955 9.927 1.00 0.00 N ATOM 693 CA SER A 54 -1.869 4.393 10.008 1.00 0.00 C ATOM 694 C SER A 54 -0.629 5.012 10.637 1.00 0.00 C ATOM 695 O SER A 54 0.061 4.364 11.421 1.00 0.00 O ATOM 696 CB SER A 54 -3.113 4.725 10.827 1.00 0.00 C ATOM 697 OG SER A 54 -2.776 4.773 12.195 1.00 0.00 O ATOM 0 H SER A 54 -1.193 2.544 10.702 1.00 0.00 H new ATOM 0 HA SER A 54 -1.988 4.806 9.006 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.526 5.683 10.509 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.884 3.974 10.658 1.00 0.00 H new ATOM 0 HG SER A 54 -3.574 4.988 12.721 1.00 0.00 H new ATOM 703 N VAL A 55 -0.347 6.270 10.292 1.00 0.00 N ATOM 704 CA VAL A 55 0.805 6.970 10.824 1.00 0.00 C ATOM 705 C VAL A 55 0.680 8.459 10.538 1.00 0.00 C ATOM 706 O VAL A 55 -0.063 8.862 9.645 1.00 0.00 O ATOM 707 CB VAL A 55 2.076 6.403 10.198 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.974 6.483 8.677 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.280 7.214 10.670 1.00 0.00 C ATOM 0 H VAL A 55 -0.909 6.820 9.642 1.00 0.00 H new ATOM 0 HA VAL A 55 0.854 6.831 11.904 1.00 0.00 H new ATOM 0 HB VAL A 55 2.197 5.363 10.500 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.882 6.078 8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.114 5.905 8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.853 7.523 8.375 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.189 6.810 10.224 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.159 8.254 10.368 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.353 7.158 11.756 1.00 0.00 H new ATOM 719 N THR A 56 1.411 9.279 11.297 1.00 0.00 N ATOM 720 CA THR A 56 1.376 10.716 11.118 1.00 0.00 C ATOM 721 C THR A 56 2.792 11.256 10.976 1.00 0.00 C ATOM 722 O THR A 56 3.690 10.849 11.709 1.00 0.00 O ATOM 723 CB THR A 56 0.668 11.360 12.307 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.549 10.690 12.549 1.00 0.00 O ATOM 725 CG2 THR A 56 0.388 12.828 11.999 1.00 0.00 C ATOM 0 H THR A 56 2.033 8.963 12.041 1.00 0.00 H new ATOM 0 HA THR A 56 0.825 10.958 10.209 1.00 0.00 H new ATOM 0 HB THR A 56 1.304 11.289 13.190 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.003 11.102 13.313 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.118 13.288 12.848 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.328 13.346 11.812 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.247 12.900 11.116 1.00 0.00 H new ATOM 733 N ALA A 57 2.988 12.177 10.030 1.00 0.00 N ATOM 734 CA ALA A 57 4.291 12.767 9.796 1.00 0.00 C ATOM 735 C ALA A 57 4.601 13.780 10.888 1.00 0.00 C ATOM 736 O ALA A 57 3.699 14.440 11.400 1.00 0.00 O ATOM 737 CB ALA A 57 4.308 13.430 8.422 1.00 0.00 C ATOM 0 H ALA A 57 2.252 12.526 9.416 1.00 0.00 H new ATOM 0 HA ALA A 57 5.056 11.991 9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.287 13.874 8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.104 12.683 7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.545 14.207 8.384 1.00 0.00 H new ATOM 743 N ASP A 58 5.882 13.904 11.245 1.00 0.00 N ATOM 744 CA ASP A 58 6.303 14.833 12.273 1.00 0.00 C ATOM 745 C ASP A 58 6.486 16.219 11.671 1.00 0.00 C ATOM 746 O ASP A 58 6.193 16.431 10.496 1.00 0.00 O ATOM 747 CB ASP A 58 7.603 14.340 12.902 1.00 0.00 C ATOM 748 CG ASP A 58 8.688 14.174 11.848 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.554 14.823 10.788 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.631 13.401 12.121 1.00 0.00 O ATOM 0 H ASP A 58 6.642 13.365 10.829 1.00 0.00 H new ATOM 0 HA ASP A 58 5.540 14.893 13.049 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.935 15.047 13.663 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.430 13.388 13.405 1.00 0.00 H new ATOM 755 N ALA A 59 6.973 17.164 12.479 1.00 0.00 N ATOM 756 CA ALA A 59 7.191 18.522 12.023 1.00 0.00 C ATOM 757 C ALA A 59 8.224 18.530 10.905 1.00 0.00 C ATOM 758 O ALA A 59 8.244 19.443 10.083 1.00 0.00 O ATOM 759 CB ALA A 59 7.655 19.382 13.195 1.00 0.00 C ATOM 0 H ALA A 59 7.222 17.004 13.455 1.00 0.00 H new ATOM 0 HA ALA A 59 6.260 18.934 11.633 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.820 20.404 12.854 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.892 19.378 13.974 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.585 18.979 13.596 1.00 0.00 H new ATOM 765 N ASN A 60 9.084 17.510 10.876 1.00 0.00 N ATOM 766 CA ASN A 60 10.113 17.407 9.861 1.00 0.00 C ATOM 767 C ASN A 60 9.500 16.945 8.546 1.00 0.00 C ATOM 768 O ASN A 60 10.172 16.924 7.518 1.00 0.00 O ATOM 769 CB ASN A 60 11.190 16.432 10.327 1.00 0.00 C ATOM 770 CG ASN A 60 12.522 17.143 10.515 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.815 17.638 11.601 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.330 17.192 9.453 1.00 0.00 N ATOM 0 H ASN A 60 9.081 16.745 11.550 1.00 0.00 H new ATOM 0 HA ASN A 60 10.569 18.384 9.701 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.885 15.968 11.265 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.301 15.630 9.597 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.236 17.656 9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.041 16.766 8.572 1.00 0.00 H new ATOM 779 N GLY A 61 8.218 16.573 8.581 1.00 0.00 N ATOM 780 CA GLY A 61 7.526 16.115 7.393 1.00 0.00 C ATOM 781 C GLY A 61 7.981 14.710 7.026 1.00 0.00 C ATOM 782 O GLY A 61 8.019 14.354 5.851 1.00 0.00 O ATOM 0 H GLY A 61 7.645 16.583 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.450 16.123 7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.721 16.796 6.565 1.00 0.00 H new ATOM 786 N SER A 62 8.327 13.911 8.038 1.00 0.00 N ATOM 787 CA SER A 62 8.777 12.551 7.817 1.00 0.00 C ATOM 788 C SER A 62 7.970 11.593 8.683 1.00 0.00 C ATOM 789 O SER A 62 7.739 11.861 9.860 1.00 0.00 O ATOM 790 CB SER A 62 10.265 12.449 8.140 1.00 0.00 C ATOM 791 OG SER A 62 10.473 12.764 9.499 1.00 0.00 O ATOM 0 H SER A 62 8.301 14.191 9.018 1.00 0.00 H new ATOM 0 HA SER A 62 8.626 12.280 6.772 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.626 11.442 7.930 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.833 13.130 7.507 1.00 0.00 H new ATOM 0 HG SER A 62 11.428 12.697 9.708 1.00 0.00 H new ATOM 797 N ALA A 63 7.542 10.473 8.096 1.00 0.00 N ATOM 798 CA ALA A 63 6.765 9.483 8.814 1.00 0.00 C ATOM 799 C ALA A 63 7.482 8.140 8.778 1.00 0.00 C ATOM 800 O ALA A 63 8.433 7.962 8.021 1.00 0.00 O ATOM 801 CB ALA A 63 5.379 9.373 8.187 1.00 0.00 C ATOM 0 H ALA A 63 7.726 10.236 7.121 1.00 0.00 H new ATOM 0 HA ALA A 63 6.655 9.786 9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.794 8.628 8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.877 10.339 8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.475 9.073 7.143 1.00 0.00 H new ATOM 807 N SER A 64 7.021 7.194 9.600 1.00 0.00 N ATOM 808 CA SER A 64 7.619 5.875 9.656 1.00 0.00 C ATOM 809 C SER A 64 6.555 4.839 9.987 1.00 0.00 C ATOM 810 O SER A 64 5.896 4.930 11.020 1.00 0.00 O ATOM 811 CB SER A 64 8.728 5.864 10.704 1.00 0.00 C ATOM 812 OG SER A 64 9.358 7.126 10.734 1.00 0.00 O ATOM 0 H SER A 64 6.233 7.326 10.234 1.00 0.00 H new ATOM 0 HA SER A 64 8.050 5.626 8.686 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.314 5.629 11.685 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.456 5.087 10.470 1.00 0.00 H new ATOM 0 HG SER A 64 10.069 7.121 11.408 1.00 0.00 H new ATOM 818 N THR A 65 6.387 3.850 9.106 1.00 0.00 N ATOM 819 CA THR A 65 5.405 2.804 9.313 1.00 0.00 C ATOM 820 C THR A 65 5.720 1.613 8.419 1.00 0.00 C ATOM 821 O THR A 65 6.243 1.780 7.319 1.00 0.00 O ATOM 822 CB THR A 65 4.012 3.350 9.016 1.00 0.00 C ATOM 823 OG1 THR A 65 3.224 3.288 10.184 1.00 0.00 O ATOM 824 CG2 THR A 65 3.360 2.513 7.918 1.00 0.00 C ATOM 0 H THR A 65 6.924 3.759 8.243 1.00 0.00 H new ATOM 0 HA THR A 65 5.437 2.471 10.350 1.00 0.00 H new ATOM 0 HB THR A 65 4.091 4.385 8.685 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.624 3.852 10.879 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.365 2.903 7.706 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.968 2.560 7.015 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.281 1.477 8.248 1.00 0.00 H new ATOM 832 N SER A 66 5.398 0.408 8.894 1.00 0.00 N ATOM 833 CA SER A 66 5.645 -0.802 8.137 1.00 0.00 C ATOM 834 C SER A 66 4.324 -1.404 7.678 1.00 0.00 C ATOM 835 O SER A 66 3.364 -1.456 8.444 1.00 0.00 O ATOM 836 CB SER A 66 6.420 -1.793 9.001 1.00 0.00 C ATOM 837 OG SER A 66 7.781 -1.774 8.632 1.00 0.00 O ATOM 0 H SER A 66 4.964 0.253 9.804 1.00 0.00 H new ATOM 0 HA SER A 66 6.240 -0.567 7.254 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.314 -1.534 10.054 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.012 -2.796 8.877 1.00 0.00 H new ATOM 0 HG SER A 66 7.903 -2.285 7.805 1.00 0.00 H new ATOM 843 N LEU A 67 4.278 -1.861 6.425 1.00 0.00 N ATOM 844 CA LEU A 67 3.079 -2.458 5.871 1.00 0.00 C ATOM 845 C LEU A 67 3.253 -3.966 5.766 1.00 0.00 C ATOM 846 O LEU A 67 4.144 -4.443 5.066 1.00 0.00 O ATOM 847 CB LEU A 67 2.794 -1.850 4.501 1.00 0.00 C ATOM 848 CG LEU A 67 1.301 -1.947 4.201 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.889 -3.415 4.142 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.515 -1.241 5.302 1.00 0.00 C ATOM 0 H LEU A 67 5.066 -1.825 5.778 1.00 0.00 H new ATOM 0 HA LEU A 67 2.232 -2.255 6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.113 -0.808 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.365 -2.373 3.734 1.00 0.00 H new ATOM 0 HG LEU A 67 1.090 -1.472 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.177 -3.485 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.451 -3.919 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.099 -3.891 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.552 -1.310 5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.725 -1.716 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.810 -0.192 5.344 1.00 0.00 H new ATOM 862 N THR A 68 2.399 -4.718 6.464 1.00 0.00 N ATOM 863 CA THR A 68 2.465 -6.165 6.442 1.00 0.00 C ATOM 864 C THR A 68 2.253 -6.673 5.023 1.00 0.00 C ATOM 865 O THR A 68 1.271 -6.318 4.374 1.00 0.00 O ATOM 866 CB THR A 68 1.409 -6.737 7.384 1.00 0.00 C ATOM 867 OG1 THR A 68 1.417 -8.144 7.300 1.00 0.00 O ATOM 868 CG2 THR A 68 0.033 -6.211 6.984 1.00 0.00 C ATOM 0 H THR A 68 1.655 -4.339 7.050 1.00 0.00 H new ATOM 0 HA THR A 68 3.449 -6.491 6.779 1.00 0.00 H new ATOM 0 HB THR A 68 1.631 -6.433 8.407 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.463 -8.525 8.202 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.722 -6.619 7.656 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.027 -5.123 7.049 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.190 -6.515 5.961 1.00 0.00 H new ATOM 876 N VAL A 69 3.178 -7.507 4.542 1.00 0.00 N ATOM 877 CA VAL A 69 3.089 -8.059 3.205 1.00 0.00 C ATOM 878 C VAL A 69 2.266 -9.339 3.231 1.00 0.00 C ATOM 879 O VAL A 69 2.580 -10.266 3.974 1.00 0.00 O ATOM 880 CB VAL A 69 4.494 -8.329 2.673 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.644 -9.816 2.366 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.718 -7.521 1.398 1.00 0.00 C ATOM 0 H VAL A 69 3.997 -7.811 5.068 1.00 0.00 H new ATOM 0 HA VAL A 69 2.596 -7.347 2.544 1.00 0.00 H new ATOM 0 HB VAL A 69 5.230 -8.037 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.647 -10.010 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.483 -10.394 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.909 -10.109 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.721 -7.713 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.983 -7.813 0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.610 -6.459 1.617 1.00 0.00 H new ATOM 892 N ARG A 70 1.210 -9.388 2.416 1.00 0.00 N ATOM 893 CA ARG A 70 0.349 -10.551 2.349 1.00 0.00 C ATOM 894 C ARG A 70 0.434 -11.178 0.965 1.00 0.00 C ATOM 895 O ARG A 70 0.552 -10.470 -0.033 1.00 0.00 O ATOM 896 CB ARG A 70 -1.086 -10.139 2.668 1.00 0.00 C ATOM 897 CG ARG A 70 -1.314 -10.215 4.175 1.00 0.00 C ATOM 898 CD ARG A 70 -0.137 -9.570 4.901 1.00 0.00 C ATOM 899 NE ARG A 70 -0.456 -9.329 6.308 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.396 -10.290 7.240 1.00 0.00 C ATOM 901 NH1 ARG A 70 -0.031 -11.533 6.899 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.702 -10.008 8.514 1.00 0.00 N ATOM 0 H ARG A 70 0.937 -8.627 1.794 1.00 0.00 H new ATOM 0 HA ARG A 70 0.673 -11.290 3.081 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.272 -9.126 2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.787 -10.793 2.150 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.241 -9.706 4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.421 -11.254 4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.738 -10.216 4.828 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.121 -8.628 4.417 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.736 -8.390 6.592 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.201 -11.748 5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.014 -12.264 7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.981 -9.062 8.774 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.656 -10.739 9.223 1.00 0.00 H new ATOM 916 N ARG A 71 0.375 -12.510 0.906 1.00 0.00 N ATOM 917 CA ARG A 71 0.447 -13.225 -0.352 1.00 0.00 C ATOM 918 C ARG A 71 -0.944 -13.340 -0.960 1.00 0.00 C ATOM 919 O ARG A 71 -1.083 -13.632 -2.146 1.00 0.00 O ATOM 920 CB ARG A 71 1.050 -14.607 -0.118 1.00 0.00 C ATOM 921 CG ARG A 71 1.079 -15.379 -1.434 1.00 0.00 C ATOM 922 CD ARG A 71 1.703 -16.752 -1.204 1.00 0.00 C ATOM 923 NE ARG A 71 0.736 -17.677 -0.612 1.00 0.00 N ATOM 924 CZ ARG A 71 0.984 -18.984 -0.455 1.00 0.00 C ATOM 925 NH1 ARG A 71 2.158 -19.495 -0.848 1.00 0.00 N ATOM 926 NH2 ARG A 71 0.057 -19.781 0.094 1.00 0.00 N ATOM 0 H ARG A 71 0.277 -13.111 1.725 1.00 0.00 H new ATOM 0 HA ARG A 71 1.083 -12.679 -1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.059 -14.512 0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.463 -15.151 0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.068 -15.488 -1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.652 -14.827 -2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.063 -17.154 -2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.568 -16.656 -0.548 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.165 -17.311 -0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.863 -18.889 -1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.347 -20.490 -0.728 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.838 -19.392 0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.246 -20.776 0.213 1.00 0.00 H new ATOM 940 N SER A 72 -1.975 -13.108 -0.144 1.00 0.00 N ATOM 941 CA SER A 72 -3.346 -13.186 -0.606 1.00 0.00 C ATOM 942 C SER A 72 -4.285 -12.671 0.476 1.00 0.00 C ATOM 943 O SER A 72 -4.034 -12.865 1.663 1.00 0.00 O ATOM 944 CB SER A 72 -3.679 -14.630 -0.968 1.00 0.00 C ATOM 945 OG SER A 72 -5.076 -14.773 -1.092 1.00 0.00 O ATOM 0 H SER A 72 -1.877 -12.864 0.842 1.00 0.00 H new ATOM 0 HA SER A 72 -3.470 -12.565 -1.493 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.190 -14.904 -1.903 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.300 -15.305 -0.201 1.00 0.00 H new ATOM 0 HG SER A 72 -5.410 -14.146 -1.767 1.00 0.00 H new ATOM 951 N PHE A 73 -5.371 -12.013 0.063 1.00 0.00 N ATOM 952 CA PHE A 73 -6.340 -11.477 0.997 1.00 0.00 C ATOM 953 C PHE A 73 -7.581 -11.014 0.247 1.00 0.00 C ATOM 954 O PHE A 73 -7.546 -10.848 -0.971 1.00 0.00 O ATOM 955 CB PHE A 73 -5.712 -10.320 1.770 1.00 0.00 C ATOM 956 CG PHE A 73 -5.043 -9.296 0.885 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.797 -8.581 -0.052 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.668 -9.061 1.004 1.00 0.00 C ATOM 959 CE1 PHE A 73 -5.176 -7.630 -0.871 1.00 0.00 C ATOM 960 CE2 PHE A 73 -3.047 -8.110 0.185 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.802 -7.395 -0.752 1.00 0.00 C ATOM 0 H PHE A 73 -5.594 -11.843 -0.918 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.637 -12.252 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.484 -9.828 2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.978 -10.718 2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.858 -8.763 -0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.086 -9.613 1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.758 -7.078 -1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.986 -7.928 0.276 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.323 -6.661 -1.384 1.00 0.00 H new ATOM 971 N GLU A 74 -8.680 -10.807 0.976 1.00 0.00 N ATOM 972 CA GLU A 74 -9.921 -10.365 0.374 1.00 0.00 C ATOM 973 C GLU A 74 -9.706 -9.041 -0.347 1.00 0.00 C ATOM 974 O GLU A 74 -9.238 -8.075 0.250 1.00 0.00 O ATOM 975 CB GLU A 74 -10.988 -10.223 1.457 1.00 0.00 C ATOM 976 CG GLU A 74 -10.369 -9.593 2.701 1.00 0.00 C ATOM 977 CD GLU A 74 -10.297 -10.599 3.841 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.293 -11.334 4.012 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.248 -10.614 4.519 1.00 0.00 O ATOM 0 H GLU A 74 -8.727 -10.941 1.986 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.256 -11.102 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.810 -9.606 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.406 -11.200 1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.368 -9.228 2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.960 -8.730 3.009 1.00 0.00 H new ATOM 986 N GLY A 75 -10.051 -8.999 -1.637 1.00 0.00 N ATOM 987 CA GLY A 75 -9.893 -7.795 -2.427 1.00 0.00 C ATOM 988 C GLY A 75 -11.054 -6.843 -2.176 1.00 0.00 C ATOM 989 O GLY A 75 -12.081 -6.921 -2.847 1.00 0.00 O ATOM 0 H GLY A 75 -10.441 -9.791 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.952 -7.307 -2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.845 -8.050 -3.486 1.00 0.00 H new ATOM 993 N PHE A 76 -10.889 -5.942 -1.205 1.00 0.00 N ATOM 994 CA PHE A 76 -11.923 -4.982 -0.872 1.00 0.00 C ATOM 995 C PHE A 76 -11.844 -3.790 -1.816 1.00 0.00 C ATOM 996 O PHE A 76 -11.007 -2.909 -1.638 1.00 0.00 O ATOM 997 CB PHE A 76 -11.753 -4.537 0.578 1.00 0.00 C ATOM 998 CG PHE A 76 -12.960 -4.818 1.440 1.00 0.00 C ATOM 999 CD1 PHE A 76 -14.171 -4.163 1.184 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.868 -5.732 2.496 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.290 -4.423 1.985 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.987 -5.992 3.297 1.00 0.00 C ATOM 1003 CZ PHE A 76 -15.198 -5.337 3.041 1.00 0.00 C ATOM 0 H PHE A 76 -10.044 -5.864 -0.639 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.904 -5.443 -0.984 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.886 -5.041 1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.542 -3.468 0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.242 -3.458 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.934 -6.237 2.693 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.224 -3.918 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.916 -6.697 4.112 1.00 0.00 H new ATOM 0 HZ PHE A 76 -16.061 -5.537 3.659 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.721 -3.765 -2.823 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.747 -2.684 -3.788 1.00 0.00 C ATOM 1015 C LEU A 77 -12.947 -1.357 -3.071 1.00 0.00 C ATOM 1016 O LEU A 77 -13.772 -1.256 -2.165 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.867 -2.929 -4.794 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.394 -1.591 -5.305 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -13.306 -0.891 -6.114 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.614 -1.828 -6.190 1.00 0.00 C ATOM 0 H LEU A 77 -13.422 -4.489 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.798 -2.646 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.498 -3.528 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.673 -3.495 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.676 -0.965 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.682 0.065 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.435 -0.720 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.023 -1.517 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.990 -0.872 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.333 -2.454 -7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.392 -2.327 -5.612 1.00 0.00 H new ATOM 1032 N PHE A 78 -12.190 -0.335 -3.479 1.00 0.00 N ATOM 1033 CA PHE A 78 -12.290 0.977 -2.874 1.00 0.00 C ATOM 1034 C PHE A 78 -13.752 1.386 -2.764 1.00 0.00 C ATOM 1035 O PHE A 78 -14.163 1.968 -1.762 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.509 1.984 -3.714 1.00 0.00 C ATOM 1037 CG PHE A 78 -10.165 2.345 -3.127 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -9.105 1.433 -3.192 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.981 3.591 -2.515 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.860 1.767 -2.645 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -8.736 3.925 -1.969 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.676 3.013 -2.034 1.00 0.00 C ATOM 0 H PHE A 78 -11.502 -0.401 -4.229 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.865 0.952 -1.871 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.362 1.575 -4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.103 2.891 -3.825 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.247 0.472 -3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.799 4.294 -2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.042 1.064 -2.694 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.593 4.886 -1.498 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.716 3.271 -1.613 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.539 1.078 -3.797 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.949 1.415 -3.812 1.00 0.00 C ATOM 1054 C ASP A 79 -16.635 0.808 -2.596 1.00 0.00 C ATOM 1055 O ASP A 79 -17.738 1.214 -2.237 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.580 0.901 -5.102 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.442 1.975 -5.751 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.845 2.907 -6.332 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.681 1.843 -5.653 1.00 0.00 O ATOM 0 H ASP A 79 -14.214 0.594 -4.634 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.070 2.497 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.798 0.589 -5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.187 0.021 -4.889 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.980 -0.167 -1.962 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.535 -0.820 -0.793 1.00 0.00 C ATOM 1066 C GLY A 80 -17.243 -2.107 -1.193 1.00 0.00 C ATOM 1067 O GLY A 80 -18.179 -2.538 -0.524 1.00 0.00 O ATOM 0 H GLY A 80 -15.064 -0.516 -2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.741 -1.040 -0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.236 -0.152 -0.293 1.00 0.00 H new ATOM 1071 N THR A 81 -16.793 -2.722 -2.290 1.00 0.00 N ATOM 1072 CA THR A 81 -17.386 -3.953 -2.769 1.00 0.00 C ATOM 1073 C THR A 81 -16.397 -5.100 -2.617 1.00 0.00 C ATOM 1074 O THR A 81 -15.189 -4.901 -2.731 1.00 0.00 O ATOM 1075 CB THR A 81 -17.796 -3.784 -4.230 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.928 -2.946 -4.306 1.00 0.00 O ATOM 1077 CG2 THR A 81 -18.134 -5.148 -4.825 1.00 0.00 C ATOM 0 H THR A 81 -16.018 -2.379 -2.858 1.00 0.00 H new ATOM 0 HA THR A 81 -18.273 -4.185 -2.179 1.00 0.00 H new ATOM 0 HB THR A 81 -16.974 -3.337 -4.789 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.191 -2.836 -5.244 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.427 -5.028 -5.868 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.260 -5.797 -4.766 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.957 -5.595 -4.267 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.912 -6.303 -2.358 1.00 0.00 N ATOM 1086 CA ARG A 82 -16.075 -7.474 -2.190 1.00 0.00 C ATOM 1087 C ARG A 82 -15.696 -8.037 -3.553 1.00 0.00 C ATOM 1088 O ARG A 82 -16.440 -8.828 -4.128 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.821 -8.517 -1.364 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.988 -8.887 -0.140 1.00 0.00 C ATOM 1091 CD ARG A 82 -16.683 -8.381 1.121 1.00 0.00 C ATOM 1092 NE ARG A 82 -17.673 -9.347 1.599 1.00 0.00 N ATOM 1093 CZ ARG A 82 -18.374 -9.170 2.727 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -18.183 -8.071 3.469 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -19.266 -10.092 3.114 1.00 0.00 N ATOM 0 H ARG A 82 -17.911 -6.484 -2.261 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.160 -7.199 -1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.790 -8.126 -1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.014 -9.404 -1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.859 -9.968 -0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.992 -8.451 -0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.943 -8.198 1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.170 -7.428 0.914 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.836 -10.191 1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -17.504 -7.369 3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.717 -7.936 4.328 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -19.412 -10.929 2.550 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.799 -9.957 3.973 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.536 -7.626 -4.070 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.069 -8.094 -5.359 1.00 0.00 C ATOM 1111 C TRP A 83 -13.781 -9.587 -5.295 1.00 0.00 C ATOM 1112 O TRP A 83 -14.215 -10.344 -6.161 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.817 -7.319 -5.758 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.623 -7.150 -7.231 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.728 -7.826 -7.982 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -13.322 -6.257 -8.151 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.824 -7.417 -9.296 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.794 -6.448 -9.456 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -14.349 -5.306 -8.016 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -13.257 -5.736 -10.566 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -14.821 -4.586 -9.123 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -14.279 -4.797 -10.396 1.00 0.00 C ATOM 0 H TRP A 83 -13.908 -6.969 -3.608 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.840 -7.926 -6.111 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.856 -6.333 -5.296 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.946 -7.829 -5.348 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -11.042 -8.573 -7.611 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -11.250 -7.785 -10.055 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.782 -5.127 -7.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.831 -5.909 -11.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -15.611 -3.861 -8.992 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -14.648 -4.237 -11.243 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.045 -10.012 -4.264 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.705 -11.411 -4.097 1.00 0.00 C ATOM 1135 C GLY A 84 -11.257 -11.552 -3.649 1.00 0.00 C ATOM 1136 O GLY A 84 -10.481 -10.604 -3.741 1.00 0.00 O ATOM 0 H GLY A 84 -12.677 -9.399 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.367 -11.868 -3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.856 -11.944 -5.036 1.00 0.00 H new ATOM 1140 N THR A 85 -10.894 -12.741 -3.163 1.00 0.00 N ATOM 1141 CA THR A 85 -9.543 -12.996 -2.706 1.00 0.00 C ATOM 1142 C THR A 85 -8.554 -12.709 -3.826 1.00 0.00 C ATOM 1143 O THR A 85 -8.758 -13.133 -4.962 1.00 0.00 O ATOM 1144 CB THR A 85 -9.429 -14.446 -2.243 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.701 -14.917 -1.858 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.476 -14.527 -1.054 1.00 0.00 C ATOM 0 H THR A 85 -11.525 -13.538 -3.079 1.00 0.00 H new ATOM 0 HA THR A 85 -9.310 -12.340 -1.867 1.00 0.00 H new ATOM 0 HB THR A 85 -9.045 -15.059 -3.059 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.629 -15.849 -1.562 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.394 -15.562 -0.723 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.493 -14.162 -1.350 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.859 -13.914 -0.238 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.478 -11.988 -3.503 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.463 -11.648 -4.480 1.00 0.00 C ATOM 1156 C VAL A 86 -5.172 -12.385 -4.158 1.00 0.00 C ATOM 1157 O VAL A 86 -4.834 -12.570 -2.991 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.240 -10.138 -4.476 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -6.502 -9.589 -3.077 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -4.799 -9.837 -4.878 1.00 0.00 C ATOM 0 H VAL A 86 -7.294 -11.631 -2.565 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.793 -11.950 -5.474 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.922 -9.668 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.343 -8.511 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.531 -9.805 -2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.820 -10.059 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.638 -8.759 -4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.118 -10.307 -4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.610 -10.230 -5.877 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.448 -12.807 -5.197 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.200 -13.522 -5.020 1.00 0.00 C ATOM 1172 C ASP A 87 -2.036 -12.639 -5.447 1.00 0.00 C ATOM 1173 O ASP A 87 -1.799 -12.456 -6.639 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.231 -14.810 -5.838 1.00 0.00 C ATOM 1175 CG ASP A 87 -3.512 -16.012 -4.949 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.033 -15.786 -3.835 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.201 -17.136 -5.399 1.00 0.00 O ATOM 0 H ASP A 87 -4.714 -12.661 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.069 -13.779 -3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.997 -14.737 -6.610 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.277 -14.945 -6.348 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.309 -12.092 -4.470 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.176 -11.233 -4.748 1.00 0.00 C ATOM 1184 C CYS A 88 0.769 -11.926 -5.719 1.00 0.00 C ATOM 1185 O CYS A 88 1.494 -11.266 -6.461 1.00 0.00 O ATOM 1186 CB CYS A 88 0.540 -10.898 -3.443 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.267 -9.599 -2.474 1.00 0.00 S ATOM 0 H CYS A 88 -1.493 -12.235 -3.477 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.521 -10.306 -5.206 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.609 -11.801 -2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.560 -10.588 -3.669 1.00 0.00 H new ATOM 1192 N THR A 89 0.761 -13.261 -5.714 1.00 0.00 N ATOM 1193 CA THR A 89 1.616 -14.031 -6.595 1.00 0.00 C ATOM 1194 C THR A 89 0.999 -14.105 -7.984 1.00 0.00 C ATOM 1195 O THR A 89 1.587 -14.679 -8.898 1.00 0.00 O ATOM 1196 CB THR A 89 1.814 -15.429 -6.016 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.563 -16.069 -5.898 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.463 -15.323 -4.639 1.00 0.00 C ATOM 0 H THR A 89 0.167 -13.824 -5.105 1.00 0.00 H new ATOM 0 HA THR A 89 2.588 -13.545 -6.679 1.00 0.00 H new ATOM 0 HB THR A 89 2.459 -16.008 -6.677 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.689 -16.968 -5.528 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.604 -16.322 -4.226 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.430 -14.828 -4.730 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.819 -14.744 -3.977 1.00 0.00 H new ATOM 1206 N THR A 90 -0.191 -13.520 -8.142 1.00 0.00 N ATOM 1207 CA THR A 90 -0.877 -13.524 -9.418 1.00 0.00 C ATOM 1208 C THR A 90 -1.028 -12.098 -9.930 1.00 0.00 C ATOM 1209 O THR A 90 -1.099 -11.873 -11.136 1.00 0.00 O ATOM 1210 CB THR A 90 -2.242 -14.187 -9.259 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.135 -15.560 -9.565 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.241 -13.531 -10.207 1.00 0.00 C ATOM 0 H THR A 90 -0.693 -13.039 -7.395 1.00 0.00 H new ATOM 0 HA THR A 90 -0.294 -14.090 -10.145 1.00 0.00 H new ATOM 0 HB THR A 90 -2.586 -14.069 -8.232 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.011 -15.987 -9.462 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.216 -14.005 -10.093 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.324 -12.470 -9.971 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.898 -13.649 -11.235 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.075 -11.134 -9.007 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.218 -9.738 -9.368 1.00 0.00 C ATOM 1222 C ALA A 91 -0.159 -8.911 -8.652 1.00 0.00 C ATOM 1223 O ALA A 91 0.649 -9.450 -7.900 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.619 -9.259 -8.999 1.00 0.00 C ATOM 0 H ALA A 91 -1.015 -11.305 -8.003 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.079 -9.619 -10.443 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.728 -8.209 -9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.359 -9.851 -9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.772 -9.374 -7.926 1.00 0.00 H new ATOM 1230 N ALA A 92 -0.165 -7.597 -8.889 1.00 0.00 N ATOM 1231 CA ALA A 92 0.793 -6.704 -8.269 1.00 0.00 C ATOM 1232 C ALA A 92 0.165 -6.040 -7.052 1.00 0.00 C ATOM 1233 O ALA A 92 -0.897 -5.430 -7.153 1.00 0.00 O ATOM 1234 CB ALA A 92 1.242 -5.657 -9.284 1.00 0.00 C ATOM 0 H ALA A 92 -0.829 -7.135 -9.510 1.00 0.00 H new ATOM 0 HA ALA A 92 1.665 -7.270 -7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.963 -4.985 -8.819 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.706 -6.152 -10.137 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.378 -5.085 -9.623 1.00 0.00 H new ATOM 1240 N CYS A 93 0.826 -6.159 -5.898 1.00 0.00 N ATOM 1241 CA CYS A 93 0.332 -5.572 -4.669 1.00 0.00 C ATOM 1242 C CYS A 93 1.134 -4.322 -4.336 1.00 0.00 C ATOM 1243 O CYS A 93 2.296 -4.208 -4.719 1.00 0.00 O ATOM 1244 CB CYS A 93 0.432 -6.595 -3.541 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.622 -8.048 -3.770 1.00 0.00 S ATOM 0 H CYS A 93 1.708 -6.661 -5.798 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.713 -5.287 -4.792 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.468 -6.921 -3.451 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.167 -6.111 -2.601 1.00 0.00 H new ATOM 1250 N GLN A 94 0.510 -3.382 -3.622 1.00 0.00 N ATOM 1251 CA GLN A 94 1.168 -2.148 -3.244 1.00 0.00 C ATOM 1252 C GLN A 94 0.591 -1.635 -1.932 1.00 0.00 C ATOM 1253 O GLN A 94 -0.563 -1.909 -1.611 1.00 0.00 O ATOM 1254 CB GLN A 94 0.987 -1.117 -4.355 1.00 0.00 C ATOM 1255 CG GLN A 94 -0.181 -0.197 -4.010 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.740 0.462 -5.263 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.238 0.238 -6.362 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.783 1.279 -5.095 1.00 0.00 N ATOM 0 H GLN A 94 -0.454 -3.461 -3.297 1.00 0.00 H new ATOM 0 HA GLN A 94 2.234 -2.328 -3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.900 -0.534 -4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.800 -1.619 -5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.965 -0.769 -3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.149 0.568 -3.308 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.165 1.433 -4.162 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.198 1.749 -5.900 1.00 0.00 H new ATOM 1267 N VAL A 95 1.397 -0.887 -1.175 1.00 0.00 N ATOM 1268 CA VAL A 95 0.964 -0.340 0.095 1.00 0.00 C ATOM 1269 C VAL A 95 0.989 1.180 0.036 1.00 0.00 C ATOM 1270 O VAL A 95 1.668 1.759 -0.810 1.00 0.00 O ATOM 1271 CB VAL A 95 1.875 -0.854 1.206 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.757 0.058 2.424 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.459 -2.271 1.590 1.00 0.00 C ATOM 0 H VAL A 95 2.356 -0.650 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.057 -0.659 0.304 1.00 0.00 H new ATOM 0 HB VAL A 95 2.907 -0.860 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.408 -0.309 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.054 1.071 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.725 0.065 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.109 -2.639 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.427 -2.265 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.543 -2.923 0.721 1.00 0.00 H new ATOM 1283 N GLY A 96 0.247 1.828 0.937 1.00 0.00 N ATOM 1284 CA GLY A 96 0.192 3.276 0.978 1.00 0.00 C ATOM 1285 C GLY A 96 -0.657 3.738 2.154 1.00 0.00 C ATOM 1286 O GLY A 96 -1.376 2.943 2.754 1.00 0.00 O ATOM 0 H GLY A 96 -0.322 1.365 1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.199 3.683 1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.226 3.658 0.046 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.572 5.030 2.482 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.330 5.591 3.582 1.00 0.00 C ATOM 1292 C LEU A 97 -2.121 6.799 3.100 1.00 0.00 C ATOM 1293 O LEU A 97 -1.572 7.681 2.443 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.377 5.983 4.708 1.00 0.00 C ATOM 1295 CG LEU A 97 0.549 7.096 4.226 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.664 8.166 5.308 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.931 6.517 3.934 1.00 0.00 C ATOM 0 H LEU A 97 0.019 5.702 1.994 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.033 4.849 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.943 6.317 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.208 5.118 5.021 1.00 0.00 H new ATOM 0 HG LEU A 97 0.142 7.540 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.325 8.961 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.323 8.579 5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.072 7.722 6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.593 7.312 3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.339 6.073 4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.849 5.752 3.161 1.00 0.00 H new ATOM 1309 N SER A 98 -3.414 6.838 3.430 1.00 0.00 N ATOM 1310 CA SER A 98 -4.271 7.936 3.031 1.00 0.00 C ATOM 1311 C SER A 98 -4.680 8.742 4.255 1.00 0.00 C ATOM 1312 O SER A 98 -4.731 8.212 5.362 1.00 0.00 O ATOM 1313 CB SER A 98 -5.498 7.386 2.310 1.00 0.00 C ATOM 1314 OG SER A 98 -5.199 7.205 0.944 1.00 0.00 O ATOM 0 H SER A 98 -3.884 6.115 3.975 1.00 0.00 H new ATOM 0 HA SER A 98 -3.732 8.595 2.351 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.800 6.438 2.756 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.337 8.073 2.422 1.00 0.00 H new ATOM 0 HG SER A 98 -5.986 6.850 0.481 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.973 10.029 4.053 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.376 10.901 5.139 1.00 0.00 C ATOM 1322 C ASP A 99 -6.825 11.326 4.947 1.00 0.00 C ATOM 1323 O ASP A 99 -7.556 10.712 4.174 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.456 12.117 5.181 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.013 13.250 4.330 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.103 13.045 3.101 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.339 14.300 4.926 1.00 0.00 O ATOM 0 H ASP A 99 -4.936 10.484 3.141 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.297 10.370 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.339 12.454 6.211 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.465 11.841 4.822 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.238 12.381 5.653 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.594 12.881 5.559 1.00 0.00 C ATOM 1334 C ALA A 100 -8.824 13.490 4.183 1.00 0.00 C ATOM 1335 O ALA A 100 -9.823 13.195 3.530 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.832 13.915 6.655 1.00 0.00 C ATOM 0 H ALA A 100 -6.642 12.902 6.297 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.299 12.060 5.694 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.852 14.292 6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.683 13.452 7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.131 14.741 6.534 1.00 0.00 H new ATOM 1342 N ALA A 101 -7.895 14.343 3.743 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.002 14.989 2.450 1.00 0.00 C ATOM 1344 C ALA A 101 -7.886 13.950 1.344 1.00 0.00 C ATOM 1345 O ALA A 101 -8.375 14.163 0.236 1.00 0.00 O ATOM 1346 CB ALA A 101 -6.907 16.044 2.319 1.00 0.00 C ATOM 0 H ALA A 101 -7.061 14.597 4.272 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.972 15.478 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.986 16.531 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.022 16.787 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.931 15.568 2.408 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.236 12.823 1.644 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.063 11.763 0.672 1.00 0.00 C ATOM 1354 C GLY A 102 -5.731 11.921 -0.049 1.00 0.00 C ATOM 1355 O GLY A 102 -5.687 11.958 -1.276 1.00 0.00 O ATOM 0 H GLY A 102 -6.823 12.629 2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.103 10.794 1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.880 11.785 -0.049 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.643 12.016 0.719 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.319 12.169 0.150 1.00 0.00 C ATOM 1361 C ASN A 103 -2.345 11.223 0.839 1.00 0.00 C ATOM 1362 O ASN A 103 -2.685 10.601 1.843 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.866 13.618 0.304 1.00 0.00 C ATOM 1364 CG ASN A 103 -1.970 13.780 1.524 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -0.863 14.303 1.417 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.451 13.331 2.685 1.00 0.00 N ATOM 0 H ASN A 103 -4.662 11.989 1.738 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.345 11.919 -0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.329 13.932 -0.591 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.736 14.267 0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.893 13.415 3.535 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.377 12.904 2.723 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.130 11.116 0.297 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.118 10.248 0.865 1.00 0.00 C ATOM 1375 C GLY A 104 1.204 10.428 0.131 1.00 0.00 C ATOM 1376 O GLY A 104 1.279 11.174 -0.843 1.00 0.00 O ATOM 0 H GLY A 104 -0.831 11.624 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.012 10.474 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.441 9.209 0.798 1.00 0.00 H new ATOM 1380 N PRO A 105 2.247 9.740 0.601 1.00 0.00 N ATOM 1381 CA PRO A 105 3.577 9.785 0.033 1.00 0.00 C ATOM 1382 C PRO A 105 3.591 9.037 -1.292 1.00 0.00 C ATOM 1383 O PRO A 105 2.685 8.256 -1.576 1.00 0.00 O ATOM 1384 CB PRO A 105 4.467 9.093 1.063 1.00 0.00 C ATOM 1385 CG PRO A 105 3.514 8.090 1.712 1.00 0.00 C ATOM 1386 CD PRO A 105 2.193 8.854 1.744 1.00 0.00 C ATOM 0 HA PRO A 105 3.917 10.800 -0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.318 8.598 0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.869 9.799 1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.436 7.171 1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.843 7.808 2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.343 8.175 1.678 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.083 9.414 2.673 1.00 0.00 H new ATOM 1394 N GLU A 106 4.622 9.277 -2.106 1.00 0.00 N ATOM 1395 CA GLU A 106 4.745 8.625 -3.394 1.00 0.00 C ATOM 1396 C GLU A 106 4.267 7.184 -3.294 1.00 0.00 C ATOM 1397 O GLU A 106 4.811 6.398 -2.521 1.00 0.00 O ATOM 1398 CB GLU A 106 6.199 8.682 -3.854 1.00 0.00 C ATOM 1399 CG GLU A 106 6.381 9.846 -4.824 1.00 0.00 C ATOM 1400 CD GLU A 106 7.854 10.190 -4.988 1.00 0.00 C ATOM 1401 OE1 GLU A 106 8.642 9.238 -5.176 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.165 11.399 -4.924 1.00 0.00 O ATOM 0 H GLU A 106 5.381 9.922 -1.887 1.00 0.00 H new ATOM 0 HA GLU A 106 4.124 9.141 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.859 8.804 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.475 7.745 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.954 9.588 -5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.838 10.718 -4.458 1.00 0.00 H new ATOM 1409 N GLY A 107 3.245 6.836 -4.080 1.00 0.00 N ATOM 1410 CA GLY A 107 2.703 5.492 -4.073 1.00 0.00 C ATOM 1411 C GLY A 107 3.823 4.472 -3.922 1.00 0.00 C ATOM 1412 O GLY A 107 4.978 4.767 -4.220 1.00 0.00 O ATOM 0 H GLY A 107 2.782 7.474 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.991 5.384 -3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.156 5.308 -4.998 1.00 0.00 H new ATOM 1416 N VAL A 108 3.477 3.269 -3.458 1.00 0.00 N ATOM 1417 CA VAL A 108 4.452 2.213 -3.269 1.00 0.00 C ATOM 1418 C VAL A 108 4.060 0.998 -4.098 1.00 0.00 C ATOM 1419 O VAL A 108 3.146 0.263 -3.732 1.00 0.00 O ATOM 1420 CB VAL A 108 4.532 1.855 -1.788 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.127 0.458 -1.634 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.418 2.868 -1.068 1.00 0.00 C ATOM 0 H VAL A 108 2.523 3.009 -3.208 1.00 0.00 H new ATOM 0 HA VAL A 108 5.433 2.553 -3.600 1.00 0.00 H new ATOM 0 HB VAL A 108 3.532 1.874 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.184 0.202 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.495 -0.265 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.127 0.439 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.476 2.613 -0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.418 2.849 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.994 3.866 -1.178 1.00 0.00 H new ATOM 1432 N ALA A 109 4.757 0.788 -5.217 1.00 0.00 N ATOM 1433 CA ALA A 109 4.479 -0.334 -6.091 1.00 0.00 C ATOM 1434 C ALA A 109 5.256 -1.557 -5.623 1.00 0.00 C ATOM 1435 O ALA A 109 6.484 -1.529 -5.564 1.00 0.00 O ATOM 1436 CB ALA A 109 4.857 0.031 -7.523 1.00 0.00 C ATOM 0 H ALA A 109 5.519 1.388 -5.533 1.00 0.00 H new ATOM 0 HA ALA A 109 3.415 -0.570 -6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.648 -0.813 -8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.275 0.894 -7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.919 0.272 -7.569 1.00 0.00 H new ATOM 1442 N ILE A 110 4.538 -2.631 -5.290 1.00 0.00 N ATOM 1443 CA ILE A 110 5.160 -3.857 -4.830 1.00 0.00 C ATOM 1444 C ILE A 110 5.261 -4.846 -5.983 1.00 0.00 C ATOM 1445 O ILE A 110 4.534 -4.731 -6.967 1.00 0.00 O ATOM 1446 CB ILE A 110 4.342 -4.443 -3.683 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.868 -3.317 -2.769 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.208 -5.415 -2.886 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.083 -3.907 -1.600 1.00 0.00 C ATOM 0 H ILE A 110 3.520 -2.668 -5.333 1.00 0.00 H new ATOM 0 HA ILE A 110 6.166 -3.647 -4.468 1.00 0.00 H new ATOM 0 HB ILE A 110 3.478 -4.972 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.723 -2.751 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.242 -2.621 -3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.624 -5.834 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.547 -6.220 -3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.072 -4.886 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.744 -3.103 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.220 -4.454 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.724 -4.586 -1.037 1.00 0.00 H new ATOM 1461 N SER A 111 6.165 -5.820 -5.859 1.00 0.00 N ATOM 1462 CA SER A 111 6.354 -6.823 -6.888 1.00 0.00 C ATOM 1463 C SER A 111 6.705 -8.159 -6.250 1.00 0.00 C ATOM 1464 O SER A 111 7.739 -8.287 -5.599 1.00 0.00 O ATOM 1465 CB SER A 111 7.458 -6.371 -7.840 1.00 0.00 C ATOM 1466 OG SER A 111 8.399 -7.411 -7.994 1.00 0.00 O ATOM 0 H SER A 111 6.776 -5.928 -5.049 1.00 0.00 H new ATOM 0 HA SER A 111 5.431 -6.946 -7.455 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.033 -6.104 -8.807 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.947 -5.478 -7.450 1.00 0.00 H new ATOM 0 HG SER A 111 9.108 -7.123 -8.606 1.00 0.00 H new ATOM 1472 N PHE A 112 5.839 -9.158 -6.439 1.00 0.00 N ATOM 1473 CA PHE A 112 6.064 -10.477 -5.883 1.00 0.00 C ATOM 1474 C PHE A 112 6.761 -11.359 -6.909 1.00 0.00 C ATOM 1475 O PHE A 112 6.299 -11.480 -8.042 1.00 0.00 O ATOM 1476 CB PHE A 112 4.728 -11.085 -5.464 1.00 0.00 C ATOM 1477 CG PHE A 112 4.215 -10.562 -4.144 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.941 -9.198 -3.989 1.00 0.00 C ATOM 1479 CD2 PHE A 112 4.011 -11.443 -3.074 1.00 0.00 C ATOM 1480 CE1 PHE A 112 3.464 -8.714 -2.766 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.533 -10.959 -1.851 1.00 0.00 C ATOM 1482 CZ PHE A 112 3.260 -9.594 -1.696 1.00 0.00 C ATOM 0 H PHE A 112 4.976 -9.069 -6.976 1.00 0.00 H new ATOM 0 HA PHE A 112 6.706 -10.401 -5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.988 -10.883 -6.238 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.835 -12.168 -5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.098 -8.519 -4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.223 -12.495 -3.193 1.00 0.00 H new ATOM 0 HE1 PHE A 112 3.253 -7.661 -2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.375 -11.638 -1.026 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.892 -9.220 -0.752 1.00 0.00 H new ATOM 1492 N ASN A 113 7.876 -11.976 -6.510 1.00 0.00 N ATOM 1493 CA ASN A 113 8.627 -12.842 -7.396 1.00 0.00 C ATOM 1494 C ASN A 113 9.158 -12.041 -8.577 1.00 0.00 C ATOM 1495 O ASN A 113 10.212 -12.361 -9.123 1.00 0.00 O ATOM 1496 CB ASN A 113 7.729 -13.979 -7.875 1.00 0.00 C ATOM 1497 CG ASN A 113 7.225 -14.805 -6.700 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.866 -15.775 -6.301 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.075 -14.418 -6.145 1.00 0.00 N ATOM 0 H ASN A 113 8.272 -11.886 -5.574 1.00 0.00 H new ATOM 0 HA ASN A 113 9.476 -13.266 -6.861 1.00 0.00 H new ATOM 0 HB2 ASN A 113 6.883 -13.571 -8.428 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.281 -14.618 -8.564 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.691 -14.935 -5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.579 -13.606 -6.512 1.00 0.00 H new