USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 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 37 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.0017) USER MOD Set 1.2: A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.167 USER MOD Single : A 6 SER OG : rot -174:sc= 1.21 USER MOD Single : A 16 GLN : amide:sc=-0.00648 K(o=-0.0065,f=-1.1) USER MOD Single : A 19 THR OG1 : rot -175:sc= 1.26 USER MOD Single : A 25 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.07 (180deg=0.947) USER MOD Single : A 29 GLN : amide:sc= 0.19 X(o=0.19,f=-0.07) USER MOD Single : A 32 LYS NZ :NH3+ -157:sc= 1.06 (180deg=0.635) USER MOD Single : A 33 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.73) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 HIS : no HD1:sc=-0.00248 X(o=-0.0025,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.406 K(o=-0.41,f=-1.9!) USER MOD Single : A 51 SER OG : rot 180:sc= -0.172 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= 1.18 (180deg=0.97) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 175:sc= -1.65 (180deg=-1.71) USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -0.0261 (180deg=-0.215) USER MOD Single : A 78 GLN : amide:sc=-0.00107 X(o=-0.0011,f=-0.48) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 85 ASN : amide:sc= 0.518 K(o=0.52,f=-0.0013) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= 0.332 F(o=-2.4!,f=0.33) USER MOD Single : A 96 SER OG : rot -33:sc= 0 USER MOD Single : A 99 SER OG : rot 6:sc= 1.12 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.599 -0.923 15.992 1.00 0.00 N ATOM 2 CA GLY A 1 -1.602 -0.396 16.926 1.00 0.00 C ATOM 3 C GLY A 1 -0.221 -0.776 16.458 1.00 0.00 C ATOM 4 O GLY A 1 0.098 -1.963 16.442 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.552 -0.660 16.316 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.433 -0.525 15.046 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.522 -1.959 15.950 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.689 0.688 16.993 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.780 -0.792 17.926 1.00 0.00 H new ATOM 8 N SER A 2 0.589 0.205 16.071 1.00 0.00 N ATOM 9 CA SER A 2 1.985 0.046 15.713 1.00 0.00 C ATOM 10 C SER A 2 2.681 1.384 15.980 1.00 0.00 C ATOM 11 O SER A 2 2.019 2.419 16.104 1.00 0.00 O ATOM 12 CB SER A 2 2.066 -0.343 14.232 1.00 0.00 C ATOM 13 OG SER A 2 3.172 -1.180 13.972 1.00 0.00 O ATOM 0 H SER A 2 0.272 1.172 15.997 1.00 0.00 H new ATOM 0 HA SER A 2 2.473 -0.735 16.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.148 -0.852 13.939 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.140 0.558 13.623 1.00 0.00 H new ATOM 0 HG SER A 2 3.192 -1.410 13.019 1.00 0.00 H new ATOM 19 N SER A 3 4.010 1.380 15.991 1.00 0.00 N ATOM 20 CA SER A 3 4.817 2.586 15.903 1.00 0.00 C ATOM 21 C SER A 3 5.498 2.617 14.531 1.00 0.00 C ATOM 22 O SER A 3 5.713 1.569 13.915 1.00 0.00 O ATOM 23 CB SER A 3 5.811 2.622 17.071 1.00 0.00 C ATOM 24 OG SER A 3 6.720 1.533 17.058 1.00 0.00 O ATOM 0 H SER A 3 4.562 0.525 16.062 1.00 0.00 H new ATOM 0 HA SER A 3 4.204 3.483 15.987 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.371 3.556 17.036 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.259 2.617 18.011 1.00 0.00 H new ATOM 0 HG SER A 3 7.330 1.607 17.821 1.00 0.00 H new ATOM 30 N GLY A 4 5.860 3.811 14.079 1.00 0.00 N ATOM 31 CA GLY A 4 6.573 4.065 12.843 1.00 0.00 C ATOM 32 C GLY A 4 6.833 5.562 12.806 1.00 0.00 C ATOM 33 O GLY A 4 5.935 6.347 13.127 1.00 0.00 O ATOM 0 H GLY A 4 5.652 4.667 14.593 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.508 3.506 12.811 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.984 3.750 11.982 1.00 0.00 H new ATOM 37 N SER A 5 8.064 5.979 12.521 1.00 0.00 N ATOM 38 CA SER A 5 8.421 7.382 12.398 1.00 0.00 C ATOM 39 C SER A 5 9.644 7.490 11.490 1.00 0.00 C ATOM 40 O SER A 5 10.781 7.411 11.958 1.00 0.00 O ATOM 41 CB SER A 5 8.684 8.020 13.777 1.00 0.00 C ATOM 42 OG SER A 5 7.639 7.754 14.701 1.00 0.00 O ATOM 0 H SER A 5 8.847 5.343 12.368 1.00 0.00 H new ATOM 0 HA SER A 5 7.590 7.933 11.958 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.625 7.641 14.177 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.798 9.098 13.661 1.00 0.00 H new ATOM 0 HG SER A 5 7.848 8.175 15.561 1.00 0.00 H new ATOM 48 N SER A 6 9.427 7.707 10.194 1.00 0.00 N ATOM 49 CA SER A 6 10.507 8.004 9.260 1.00 0.00 C ATOM 50 C SER A 6 10.210 9.288 8.485 1.00 0.00 C ATOM 51 O SER A 6 9.098 9.828 8.555 1.00 0.00 O ATOM 52 CB SER A 6 10.802 6.811 8.340 1.00 0.00 C ATOM 53 OG SER A 6 10.354 5.554 8.821 1.00 0.00 O ATOM 0 H SER A 6 8.502 7.682 9.765 1.00 0.00 H new ATOM 0 HA SER A 6 11.419 8.177 9.832 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.340 6.997 7.370 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.878 6.757 8.175 1.00 0.00 H new ATOM 0 HG SER A 6 10.667 4.844 8.222 1.00 0.00 H new ATOM 59 N GLY A 7 11.204 9.795 7.762 1.00 0.00 N ATOM 60 CA GLY A 7 10.982 10.786 6.726 1.00 0.00 C ATOM 61 C GLY A 7 10.524 10.061 5.465 1.00 0.00 C ATOM 62 O GLY A 7 10.091 8.906 5.511 1.00 0.00 O ATOM 0 H GLY A 7 12.181 9.529 7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.229 11.507 7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.897 11.345 6.532 1.00 0.00 H new ATOM 66 N ALA A 8 10.646 10.728 4.325 1.00 0.00 N ATOM 67 CA ALA A 8 10.857 10.045 3.062 1.00 0.00 C ATOM 68 C ALA A 8 12.341 9.707 2.891 1.00 0.00 C ATOM 69 O ALA A 8 13.202 10.318 3.532 1.00 0.00 O ATOM 70 CB ALA A 8 10.396 10.951 1.933 1.00 0.00 C ATOM 0 H ALA A 8 10.602 11.744 4.252 1.00 0.00 H new ATOM 0 HA ALA A 8 10.286 9.116 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.549 10.449 0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.337 11.178 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.970 11.877 1.952 1.00 0.00 H new ATOM 76 N GLY A 9 12.650 8.810 1.954 1.00 0.00 N ATOM 77 CA GLY A 9 14.001 8.470 1.521 1.00 0.00 C ATOM 78 C GLY A 9 13.971 8.154 0.026 1.00 0.00 C ATOM 79 O GLY A 9 14.033 6.975 -0.339 1.00 0.00 O ATOM 0 H GLY A 9 11.934 8.280 1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.681 9.299 1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.373 7.612 2.081 1.00 0.00 H new ATOM 83 N PRO A 10 13.778 9.164 -0.840 1.00 0.00 N ATOM 84 CA PRO A 10 13.494 8.969 -2.253 1.00 0.00 C ATOM 85 C PRO A 10 14.746 8.532 -3.025 1.00 0.00 C ATOM 86 O PRO A 10 15.627 9.350 -3.304 1.00 0.00 O ATOM 87 CB PRO A 10 12.947 10.315 -2.732 1.00 0.00 C ATOM 88 CG PRO A 10 13.687 11.323 -1.859 1.00 0.00 C ATOM 89 CD PRO A 10 13.750 10.586 -0.521 1.00 0.00 C ATOM 0 HA PRO A 10 12.775 8.167 -2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 10 13.147 10.477 -3.791 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.867 10.382 -2.597 1.00 0.00 H new ATOM 0 HG2 PRO A 10 14.679 11.551 -2.248 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.150 12.269 -1.781 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.637 10.876 0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.886 10.829 0.098 1.00 0.00 H new ATOM 97 N GLY A 11 14.806 7.266 -3.432 1.00 0.00 N ATOM 98 CA GLY A 11 15.753 6.789 -4.424 1.00 0.00 C ATOM 99 C GLY A 11 15.193 7.022 -5.822 1.00 0.00 C ATOM 100 O GLY A 11 14.405 7.956 -6.049 1.00 0.00 O ATOM 0 H GLY A 11 14.188 6.537 -3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.705 7.308 -4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.949 5.728 -4.273 1.00 0.00 H new ATOM 104 N ALA A 12 15.638 6.192 -6.763 1.00 0.00 N ATOM 105 CA ALA A 12 15.138 6.117 -8.122 1.00 0.00 C ATOM 106 C ALA A 12 14.936 4.648 -8.490 1.00 0.00 C ATOM 107 O ALA A 12 15.584 3.768 -7.921 1.00 0.00 O ATOM 108 CB ALA A 12 16.138 6.776 -9.077 1.00 0.00 C ATOM 0 H ALA A 12 16.390 5.527 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 12 14.187 6.644 -8.202 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.759 6.718 -10.097 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.272 7.821 -8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 12 17.095 6.258 -9.015 1.00 0.00 H new ATOM 114 N GLU A 13 14.103 4.422 -9.507 1.00 0.00 N ATOM 115 CA GLU A 13 13.797 3.125 -10.095 1.00 0.00 C ATOM 116 C GLU A 13 13.404 2.097 -9.030 1.00 0.00 C ATOM 117 O GLU A 13 12.757 2.439 -8.034 1.00 0.00 O ATOM 118 CB GLU A 13 14.926 2.669 -11.036 1.00 0.00 C ATOM 119 CG GLU A 13 15.161 3.672 -12.166 1.00 0.00 C ATOM 120 CD GLU A 13 15.864 2.978 -13.324 1.00 0.00 C ATOM 121 OE1 GLU A 13 17.059 2.642 -13.187 1.00 0.00 O ATOM 122 OE2 GLU A 13 15.198 2.739 -14.357 1.00 0.00 O ATOM 0 H GLU A 13 13.599 5.182 -9.964 1.00 0.00 H new ATOM 0 HA GLU A 13 12.912 3.224 -10.723 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.846 2.542 -10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.676 1.696 -11.459 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.211 4.088 -12.501 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.765 4.505 -11.807 1.00 0.00 H new ATOM 129 N GLU A 14 13.659 0.819 -9.295 1.00 0.00 N ATOM 130 CA GLU A 14 13.474 -0.249 -8.340 1.00 0.00 C ATOM 131 C GLU A 14 14.677 -0.237 -7.405 1.00 0.00 C ATOM 132 O GLU A 14 15.814 -0.382 -7.857 1.00 0.00 O ATOM 133 CB GLU A 14 13.326 -1.570 -9.092 1.00 0.00 C ATOM 134 CG GLU A 14 13.000 -2.714 -8.130 1.00 0.00 C ATOM 135 CD GLU A 14 12.621 -3.975 -8.909 1.00 0.00 C ATOM 136 OE1 GLU A 14 11.656 -3.943 -9.706 1.00 0.00 O ATOM 137 OE2 GLU A 14 13.274 -5.032 -8.760 1.00 0.00 O ATOM 0 H GLU A 14 14.006 0.499 -10.199 1.00 0.00 H new ATOM 0 HA GLU A 14 12.570 -0.119 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.537 -1.481 -9.838 1.00 0.00 H new ATOM 0 HB3 GLU A 14 14.248 -1.793 -9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.860 -2.918 -7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.179 -2.423 -7.474 1.00 0.00 H new ATOM 144 N GLU A 15 14.440 -0.037 -6.116 1.00 0.00 N ATOM 145 CA GLU A 15 15.475 0.149 -5.108 1.00 0.00 C ATOM 146 C GLU A 15 15.229 -0.841 -3.971 1.00 0.00 C ATOM 147 O GLU A 15 14.786 -1.965 -4.211 1.00 0.00 O ATOM 148 CB GLU A 15 15.554 1.637 -4.720 1.00 0.00 C ATOM 149 CG GLU A 15 14.281 2.177 -4.050 1.00 0.00 C ATOM 150 CD GLU A 15 14.446 3.552 -3.398 1.00 0.00 C ATOM 151 OE1 GLU A 15 15.298 3.696 -2.493 1.00 0.00 O ATOM 152 OE2 GLU A 15 13.663 4.472 -3.736 1.00 0.00 O ATOM 0 H GLU A 15 13.496 0.001 -5.732 1.00 0.00 H new ATOM 0 HA GLU A 15 16.474 -0.083 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.397 1.781 -4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.759 2.225 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.488 2.235 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.954 1.465 -3.292 1.00 0.00 H new ATOM 159 N GLN A 16 15.571 -0.453 -2.748 1.00 0.00 N ATOM 160 CA GLN A 16 15.262 -1.155 -1.514 1.00 0.00 C ATOM 161 C GLN A 16 14.279 -0.279 -0.749 1.00 0.00 C ATOM 162 O GLN A 16 14.603 0.867 -0.447 1.00 0.00 O ATOM 163 CB GLN A 16 16.563 -1.408 -0.742 1.00 0.00 C ATOM 164 CG GLN A 16 17.428 -2.445 -1.481 1.00 0.00 C ATOM 165 CD GLN A 16 18.907 -2.388 -1.126 1.00 0.00 C ATOM 166 OE1 GLN A 16 19.435 -1.413 -0.600 1.00 0.00 O ATOM 167 NE2 GLN A 16 19.652 -3.419 -1.484 1.00 0.00 N ATOM 0 H GLN A 16 16.099 0.405 -2.585 1.00 0.00 H new ATOM 0 HA GLN A 16 14.808 -2.131 -1.685 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.116 -0.475 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.335 -1.764 0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.050 -3.443 -1.258 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.317 -2.295 -2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 16 19.220 -4.233 -1.922 1.00 0.00 H new ATOM 0 HE22 GLN A 16 20.659 -3.401 -1.323 1.00 0.00 H new ATOM 176 N LEU A 17 13.072 -0.793 -0.495 1.00 0.00 N ATOM 177 CA LEU A 17 12.014 -0.053 0.185 1.00 0.00 C ATOM 178 C LEU A 17 11.829 -0.645 1.575 1.00 0.00 C ATOM 179 O LEU A 17 11.864 -1.872 1.719 1.00 0.00 O ATOM 180 CB LEU A 17 10.665 -0.111 -0.562 1.00 0.00 C ATOM 181 CG LEU A 17 10.663 -0.209 -2.099 1.00 0.00 C ATOM 182 CD1 LEU A 17 9.233 -0.418 -2.622 1.00 0.00 C ATOM 183 CD2 LEU A 17 11.271 1.025 -2.773 1.00 0.00 C ATOM 0 H LEU A 17 12.803 -1.741 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 17 12.317 0.993 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.113 -0.969 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.100 0.780 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 17 11.286 -1.067 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.250 -0.485 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.825 -1.340 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.609 0.423 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.243 0.899 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.699 1.910 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.305 1.145 -2.449 1.00 0.00 H new ATOM 195 N ASP A 18 11.563 0.187 2.583 1.00 0.00 N ATOM 196 CA ASP A 18 11.199 -0.314 3.904 1.00 0.00 C ATOM 197 C ASP A 18 9.765 -0.812 3.873 1.00 0.00 C ATOM 198 O ASP A 18 8.803 -0.047 3.910 1.00 0.00 O ATOM 199 CB ASP A 18 11.408 0.702 5.037 1.00 0.00 C ATOM 200 CG ASP A 18 12.803 0.573 5.641 1.00 0.00 C ATOM 201 OD1 ASP A 18 13.274 -0.576 5.838 1.00 0.00 O ATOM 202 OD2 ASP A 18 13.422 1.596 5.991 1.00 0.00 O ATOM 0 H ASP A 18 11.593 1.204 2.509 1.00 0.00 H new ATOM 0 HA ASP A 18 11.878 -1.136 4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.266 1.713 4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.657 0.547 5.812 1.00 0.00 H new ATOM 207 N THR A 19 9.605 -2.125 3.790 1.00 0.00 N ATOM 208 CA THR A 19 8.300 -2.747 3.736 1.00 0.00 C ATOM 209 C THR A 19 7.501 -2.483 5.012 1.00 0.00 C ATOM 210 O THR A 19 6.296 -2.262 4.925 1.00 0.00 O ATOM 211 CB THR A 19 8.495 -4.260 3.528 1.00 0.00 C ATOM 212 OG1 THR A 19 9.470 -4.769 4.423 1.00 0.00 O ATOM 213 CG2 THR A 19 8.988 -4.606 2.121 1.00 0.00 C ATOM 0 H THR A 19 10.381 -2.786 3.758 1.00 0.00 H new ATOM 0 HA THR A 19 7.732 -2.321 2.909 1.00 0.00 H new ATOM 0 HB THR A 19 7.513 -4.702 3.698 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.634 -5.715 4.225 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.107 -5.686 2.033 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.262 -4.260 1.386 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.947 -4.119 1.941 1.00 0.00 H new ATOM 221 N ALA A 20 8.134 -2.499 6.192 1.00 0.00 N ATOM 222 CA ALA A 20 7.426 -2.259 7.445 1.00 0.00 C ATOM 223 C ALA A 20 6.871 -0.841 7.522 1.00 0.00 C ATOM 224 O ALA A 20 5.831 -0.631 8.147 1.00 0.00 O ATOM 225 CB ALA A 20 8.348 -2.531 8.630 1.00 0.00 C ATOM 0 H ALA A 20 9.133 -2.676 6.300 1.00 0.00 H new ATOM 0 HA ALA A 20 6.579 -2.944 7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.809 -2.349 9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.681 -3.568 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.213 -1.870 8.577 1.00 0.00 H new ATOM 231 N GLU A 21 7.550 0.094 6.865 1.00 0.00 N ATOM 232 CA GLU A 21 7.194 1.493 6.796 1.00 0.00 C ATOM 233 C GLU A 21 6.025 1.636 5.839 1.00 0.00 C ATOM 234 O GLU A 21 4.990 2.144 6.238 1.00 0.00 O ATOM 235 CB GLU A 21 8.435 2.275 6.371 1.00 0.00 C ATOM 236 CG GLU A 21 8.169 3.665 5.803 1.00 0.00 C ATOM 237 CD GLU A 21 9.402 4.573 5.842 1.00 0.00 C ATOM 238 OE1 GLU A 21 10.391 4.275 6.553 1.00 0.00 O ATOM 239 OE2 GLU A 21 9.364 5.657 5.222 1.00 0.00 O ATOM 0 H GLU A 21 8.401 -0.121 6.345 1.00 0.00 H new ATOM 0 HA GLU A 21 6.872 1.896 7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.095 2.373 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.973 1.692 5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.826 3.571 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.362 4.133 6.366 1.00 0.00 H new ATOM 246 N ILE A 22 6.139 1.117 4.618 1.00 0.00 N ATOM 247 CA ILE A 22 5.065 1.148 3.629 1.00 0.00 C ATOM 248 C ILE A 22 3.808 0.512 4.227 1.00 0.00 C ATOM 249 O ILE A 22 2.705 1.034 4.092 1.00 0.00 O ATOM 250 CB ILE A 22 5.548 0.416 2.367 1.00 0.00 C ATOM 251 CG1 ILE A 22 6.699 1.201 1.707 1.00 0.00 C ATOM 252 CG2 ILE A 22 4.423 0.276 1.339 1.00 0.00 C ATOM 253 CD1 ILE A 22 7.515 0.360 0.731 1.00 0.00 C ATOM 0 H ILE A 22 6.987 0.659 4.285 1.00 0.00 H new ATOM 0 HA ILE A 22 4.809 2.171 3.353 1.00 0.00 H new ATOM 0 HB ILE A 22 5.883 -0.574 2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.288 2.062 1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.359 1.588 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.798 -0.246 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.601 -0.291 1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.068 1.266 1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.309 0.970 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.954 -0.487 1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.866 -0.005 -0.065 1.00 0.00 H new ATOM 265 N ALA A 23 3.967 -0.622 4.912 1.00 0.00 N ATOM 266 CA ALA A 23 2.883 -1.302 5.592 1.00 0.00 C ATOM 267 C ALA A 23 2.239 -0.393 6.646 1.00 0.00 C ATOM 268 O ALA A 23 1.013 -0.301 6.703 1.00 0.00 O ATOM 269 CB ALA A 23 3.425 -2.600 6.200 1.00 0.00 C ATOM 0 H ALA A 23 4.867 -1.093 5.006 1.00 0.00 H new ATOM 0 HA ALA A 23 2.095 -1.550 4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.620 -3.124 6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.822 -3.235 5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.219 -2.366 6.909 1.00 0.00 H new ATOM 275 N PHE A 24 3.043 0.259 7.488 1.00 0.00 N ATOM 276 CA PHE A 24 2.582 1.194 8.507 1.00 0.00 C ATOM 277 C PHE A 24 1.843 2.371 7.856 1.00 0.00 C ATOM 278 O PHE A 24 0.732 2.695 8.274 1.00 0.00 O ATOM 279 CB PHE A 24 3.791 1.660 9.345 1.00 0.00 C ATOM 280 CG PHE A 24 3.473 2.744 10.354 1.00 0.00 C ATOM 281 CD1 PHE A 24 3.416 4.091 9.946 1.00 0.00 C ATOM 282 CD2 PHE A 24 3.208 2.408 11.694 1.00 0.00 C ATOM 283 CE1 PHE A 24 3.041 5.087 10.859 1.00 0.00 C ATOM 284 CE2 PHE A 24 2.823 3.406 12.606 1.00 0.00 C ATOM 285 CZ PHE A 24 2.731 4.743 12.185 1.00 0.00 C ATOM 0 H PHE A 24 4.057 0.146 7.477 1.00 0.00 H new ATOM 0 HA PHE A 24 1.872 0.703 9.173 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.205 0.800 9.872 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.566 2.024 8.671 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.661 4.357 8.928 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.300 1.383 12.022 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.991 6.118 10.543 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.598 3.145 13.630 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.421 5.508 12.882 1.00 0.00 H new ATOM 295 N GLN A 25 2.436 3.008 6.846 1.00 0.00 N ATOM 296 CA GLN A 25 1.896 4.147 6.129 1.00 0.00 C ATOM 297 C GLN A 25 0.558 3.781 5.479 1.00 0.00 C ATOM 298 O GLN A 25 -0.405 4.527 5.599 1.00 0.00 O ATOM 299 CB GLN A 25 2.887 4.630 5.062 1.00 0.00 C ATOM 300 CG GLN A 25 4.189 5.309 5.543 1.00 0.00 C ATOM 301 CD GLN A 25 4.732 6.350 4.552 1.00 0.00 C ATOM 302 OE1 GLN A 25 4.069 6.788 3.619 1.00 0.00 O ATOM 303 NE2 GLN A 25 5.975 6.774 4.696 1.00 0.00 N ATOM 0 H GLN A 25 3.350 2.724 6.494 1.00 0.00 H new ATOM 0 HA GLN A 25 1.731 4.955 6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.163 3.772 4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.364 5.331 4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.006 5.792 6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.949 4.545 5.710 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.547 6.424 5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.362 7.451 4.039 1.00 0.00 H new ATOM 312 N VAL A 26 0.441 2.627 4.818 1.00 0.00 N ATOM 313 CA VAL A 26 -0.848 2.192 4.293 1.00 0.00 C ATOM 314 C VAL A 26 -1.835 2.051 5.448 1.00 0.00 C ATOM 315 O VAL A 26 -2.935 2.598 5.374 1.00 0.00 O ATOM 316 CB VAL A 26 -0.690 0.908 3.458 1.00 0.00 C ATOM 317 CG1 VAL A 26 -2.017 0.170 3.219 1.00 0.00 C ATOM 318 CG2 VAL A 26 -0.088 1.281 2.096 1.00 0.00 C ATOM 0 H VAL A 26 1.214 1.987 4.637 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.252 2.939 3.610 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.043 0.236 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.834 -0.725 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.453 -0.114 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.707 0.825 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.030 0.381 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.751 1.978 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.885 1.749 2.244 1.00 0.00 H new ATOM 328 N LYS A 27 -1.475 1.334 6.518 1.00 0.00 N ATOM 329 CA LYS A 27 -2.383 1.132 7.639 1.00 0.00 C ATOM 330 C LYS A 27 -2.888 2.461 8.195 1.00 0.00 C ATOM 331 O LYS A 27 -4.087 2.548 8.467 1.00 0.00 O ATOM 332 CB LYS A 27 -1.710 0.273 8.713 1.00 0.00 C ATOM 333 CG LYS A 27 -1.702 -1.208 8.304 1.00 0.00 C ATOM 334 CD LYS A 27 -0.941 -2.063 9.320 1.00 0.00 C ATOM 335 CE LYS A 27 0.578 -1.926 9.203 1.00 0.00 C ATOM 336 NZ LYS A 27 1.300 -2.773 10.173 1.00 0.00 N ATOM 0 H LYS A 27 -0.564 0.888 6.626 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.262 0.594 7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.688 0.616 8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.236 0.390 9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.727 -1.569 8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.243 -1.313 7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.249 -1.780 10.327 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.217 -3.109 9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.887 -2.193 8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.858 -0.884 9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.299 -2.487 10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.875 -2.661 11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.235 -3.769 9.880 1.00 0.00 H new ATOM 350 N GLU A 28 -2.044 3.488 8.337 1.00 0.00 N ATOM 351 CA GLU A 28 -2.505 4.765 8.812 1.00 0.00 C ATOM 352 C GLU A 28 -3.344 5.529 7.782 1.00 0.00 C ATOM 353 O GLU A 28 -4.330 6.126 8.189 1.00 0.00 O ATOM 354 CB GLU A 28 -1.385 5.597 9.428 1.00 0.00 C ATOM 355 CG GLU A 28 -0.159 5.959 8.577 1.00 0.00 C ATOM 356 CD GLU A 28 0.314 7.405 8.759 1.00 0.00 C ATOM 357 OE1 GLU A 28 -0.519 8.311 8.999 1.00 0.00 O ATOM 358 OE2 GLU A 28 1.537 7.655 8.694 1.00 0.00 O ATOM 0 H GLU A 28 -1.047 3.445 8.127 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.196 4.552 9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.826 6.530 9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.026 5.062 10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.659 5.284 8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.396 5.793 7.526 1.00 0.00 H new ATOM 365 N GLN A 29 -3.057 5.483 6.478 1.00 0.00 N ATOM 366 CA GLN A 29 -3.903 6.106 5.447 1.00 0.00 C ATOM 367 C GLN A 29 -5.307 5.482 5.414 1.00 0.00 C ATOM 368 O GLN A 29 -6.307 6.186 5.263 1.00 0.00 O ATOM 369 CB GLN A 29 -3.264 5.935 4.064 1.00 0.00 C ATOM 370 CG GLN A 29 -1.884 6.562 3.856 1.00 0.00 C ATOM 371 CD GLN A 29 -1.844 7.796 2.954 1.00 0.00 C ATOM 372 OE1 GLN A 29 -1.976 7.690 1.736 1.00 0.00 O ATOM 373 NE2 GLN A 29 -1.610 8.971 3.510 1.00 0.00 N ATOM 0 H GLN A 29 -2.232 5.014 6.104 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.991 7.163 5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.186 4.868 3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.943 6.356 3.322 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.479 6.834 4.831 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.222 5.806 3.435 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.503 9.044 4.522 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.537 9.805 2.928 1.00 0.00 H new ATOM 382 N LEU A 30 -5.407 4.155 5.543 1.00 0.00 N ATOM 383 CA LEU A 30 -6.677 3.453 5.614 1.00 0.00 C ATOM 384 C LEU A 30 -7.422 3.926 6.851 1.00 0.00 C ATOM 385 O LEU A 30 -8.606 4.230 6.759 1.00 0.00 O ATOM 386 CB LEU A 30 -6.469 1.929 5.634 1.00 0.00 C ATOM 387 CG LEU A 30 -5.842 1.339 4.350 1.00 0.00 C ATOM 388 CD1 LEU A 30 -5.953 -0.183 4.355 1.00 0.00 C ATOM 389 CD2 LEU A 30 -6.449 1.841 3.045 1.00 0.00 C ATOM 0 H LEU A 30 -4.596 3.539 5.601 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.269 3.677 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.832 1.675 6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.432 1.448 5.804 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.806 1.677 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.507 -0.583 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.428 -0.583 5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.003 -0.471 4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.942 1.370 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.509 1.590 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.330 2.923 2.981 1.00 0.00 H new ATOM 401 N LEU A 31 -6.750 4.038 7.996 1.00 0.00 N ATOM 402 CA LEU A 31 -7.320 4.640 9.186 1.00 0.00 C ATOM 403 C LEU A 31 -7.780 6.077 8.965 1.00 0.00 C ATOM 404 O LEU A 31 -8.888 6.416 9.371 1.00 0.00 O ATOM 405 CB LEU A 31 -6.255 4.599 10.285 1.00 0.00 C ATOM 406 CG LEU A 31 -6.477 3.503 11.316 1.00 0.00 C ATOM 407 CD1 LEU A 31 -7.585 3.945 12.269 1.00 0.00 C ATOM 408 CD2 LEU A 31 -6.787 2.113 10.743 1.00 0.00 C ATOM 0 H LEU A 31 -5.792 3.710 8.118 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.209 4.075 9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.277 4.459 9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.233 5.563 10.793 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.527 3.376 11.835 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.755 3.168 13.014 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.289 4.868 12.768 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.503 4.115 11.706 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.928 1.406 11.560 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.696 2.161 10.144 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.957 1.784 10.117 1.00 0.00 H new ATOM 420 N LYS A 32 -6.936 6.914 8.356 1.00 0.00 N ATOM 421 CA LYS A 32 -7.088 8.354 8.200 1.00 0.00 C ATOM 422 C LYS A 32 -8.402 8.713 7.524 1.00 0.00 C ATOM 423 O LYS A 32 -8.909 9.806 7.768 1.00 0.00 O ATOM 424 CB LYS A 32 -5.921 8.876 7.333 1.00 0.00 C ATOM 425 CG LYS A 32 -4.697 9.390 8.100 1.00 0.00 C ATOM 426 CD LYS A 32 -3.591 9.909 7.167 1.00 0.00 C ATOM 427 CE LYS A 32 -4.009 11.246 6.529 1.00 0.00 C ATOM 428 NZ LYS A 32 -3.059 11.761 5.521 1.00 0.00 N ATOM 0 H LYS A 32 -6.072 6.576 7.932 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.083 8.811 9.190 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.599 8.074 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.295 9.682 6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.004 10.190 8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.298 8.587 8.720 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.666 10.040 7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.390 9.174 6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.986 11.123 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.125 11.991 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.178 12.790 5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.086 11.551 5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.244 11.305 4.605 1.00 0.00 H new ATOM 442 N HIS A 33 -8.908 7.841 6.654 1.00 0.00 N ATOM 443 CA HIS A 33 -10.139 8.075 5.908 1.00 0.00 C ATOM 444 C HIS A 33 -11.139 6.923 6.025 1.00 0.00 C ATOM 445 O HIS A 33 -12.120 6.893 5.286 1.00 0.00 O ATOM 446 CB HIS A 33 -9.805 8.401 4.454 1.00 0.00 C ATOM 447 CG HIS A 33 -8.771 9.488 4.303 1.00 0.00 C ATOM 448 ND1 HIS A 33 -8.971 10.852 4.319 1.00 0.00 N ATOM 449 CD2 HIS A 33 -7.444 9.271 4.067 1.00 0.00 C ATOM 450 CE1 HIS A 33 -7.792 11.442 4.058 1.00 0.00 C ATOM 451 NE2 HIS A 33 -6.837 10.517 3.883 1.00 0.00 N ATOM 0 H HIS A 33 -8.469 6.944 6.446 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.641 8.933 6.355 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.446 7.498 3.961 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -10.717 8.704 3.939 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.952 8.310 4.029 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.636 12.509 3.998 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -5.857 10.689 3.659 1.00 0.00 H new ATOM 459 N ASN A 34 -10.915 5.984 6.945 1.00 0.00 N ATOM 460 CA ASN A 34 -11.706 4.775 7.173 1.00 0.00 C ATOM 461 C ASN A 34 -11.920 3.971 5.880 1.00 0.00 C ATOM 462 O ASN A 34 -13.042 3.840 5.381 1.00 0.00 O ATOM 463 CB ASN A 34 -13.008 5.126 7.926 1.00 0.00 C ATOM 464 CG ASN A 34 -13.151 4.289 9.179 1.00 0.00 C ATOM 465 OD1 ASN A 34 -13.503 3.116 9.130 1.00 0.00 O ATOM 466 ND2 ASN A 34 -12.815 4.854 10.326 1.00 0.00 N ATOM 0 H ASN A 34 -10.128 6.052 7.590 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.145 4.100 7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.007 6.184 8.189 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.866 4.961 7.274 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.846 4.312 11.190 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.525 5.832 10.347 1.00 0.00 H new ATOM 473 N ILE A 35 -10.838 3.450 5.294 1.00 0.00 N ATOM 474 CA ILE A 35 -10.907 2.616 4.100 1.00 0.00 C ATOM 475 C ILE A 35 -10.602 1.164 4.513 1.00 0.00 C ATOM 476 O ILE A 35 -9.885 0.901 5.487 1.00 0.00 O ATOM 477 CB ILE A 35 -10.001 3.208 2.994 1.00 0.00 C ATOM 478 CG1 ILE A 35 -10.400 4.664 2.611 1.00 0.00 C ATOM 479 CG2 ILE A 35 -10.005 2.313 1.738 1.00 0.00 C ATOM 480 CD1 ILE A 35 -9.342 5.335 1.728 1.00 0.00 C ATOM 0 H ILE A 35 -9.889 3.598 5.638 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.902 2.602 3.654 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.993 3.242 3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.356 4.652 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.541 5.252 3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.361 2.752 0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.636 1.321 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.021 2.233 1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.661 6.349 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.392 5.372 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.219 4.763 0.808 1.00 0.00 H new ATOM 492 N GLY A 36 -11.168 0.202 3.782 1.00 0.00 N ATOM 493 CA GLY A 36 -11.016 -1.224 4.026 1.00 0.00 C ATOM 494 C GLY A 36 -9.720 -1.746 3.411 1.00 0.00 C ATOM 495 O GLY A 36 -9.438 -1.450 2.245 1.00 0.00 O ATOM 0 H GLY A 36 -11.763 0.406 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.017 -1.416 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.866 -1.762 3.605 1.00 0.00 H new ATOM 499 N GLN A 37 -8.968 -2.569 4.155 1.00 0.00 N ATOM 500 CA GLN A 37 -7.821 -3.318 3.630 1.00 0.00 C ATOM 501 C GLN A 37 -8.231 -4.141 2.409 1.00 0.00 C ATOM 502 O GLN A 37 -7.467 -4.216 1.448 1.00 0.00 O ATOM 503 CB GLN A 37 -7.193 -4.212 4.722 1.00 0.00 C ATOM 504 CG GLN A 37 -6.260 -3.403 5.623 1.00 0.00 C ATOM 505 CD GLN A 37 -5.890 -4.085 6.945 1.00 0.00 C ATOM 506 OE1 GLN A 37 -6.256 -3.629 8.028 1.00 0.00 O ATOM 507 NE2 GLN A 37 -5.109 -5.151 6.891 1.00 0.00 N ATOM 0 H GLN A 37 -9.141 -2.734 5.147 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.061 -2.602 3.316 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.981 -4.666 5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.638 -5.026 4.256 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.344 -3.187 5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.732 -2.446 5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.812 -5.520 5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.804 -5.604 7.753 1.00 0.00 H new ATOM 516 N ARG A 38 -9.441 -4.708 2.412 1.00 0.00 N ATOM 517 CA ARG A 38 -9.999 -5.403 1.264 1.00 0.00 C ATOM 518 C ARG A 38 -9.980 -4.523 0.027 1.00 0.00 C ATOM 519 O ARG A 38 -9.297 -4.893 -0.916 1.00 0.00 O ATOM 520 CB ARG A 38 -11.388 -5.955 1.590 1.00 0.00 C ATOM 521 CG ARG A 38 -12.044 -6.549 0.338 1.00 0.00 C ATOM 522 CD ARG A 38 -13.245 -7.434 0.702 1.00 0.00 C ATOM 523 NE ARG A 38 -14.522 -6.762 0.423 1.00 0.00 N ATOM 524 CZ ARG A 38 -14.972 -6.441 -0.795 1.00 0.00 C ATOM 525 NH1 ARG A 38 -14.324 -6.818 -1.890 1.00 0.00 N ATOM 526 NH2 ARG A 38 -16.067 -5.708 -0.904 1.00 0.00 N ATOM 0 H ARG A 38 -10.061 -4.694 3.222 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.369 -6.262 1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.308 -6.720 2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.015 -5.160 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.370 -5.744 -0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.311 -7.137 -0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.194 -8.366 0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.196 -7.697 1.759 1.00 0.00 H new ATOM 0 HE ARG A 38 -15.111 -6.522 1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.465 -7.363 -1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.684 -6.563 -2.809 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -16.557 -5.395 -0.066 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.422 -5.455 -1.826 1.00 0.00 H new ATOM 540 N VAL A 39 -10.712 -3.406 -0.013 1.00 0.00 N ATOM 541 CA VAL A 39 -10.757 -2.530 -1.188 1.00 0.00 C ATOM 542 C VAL A 39 -9.339 -2.152 -1.615 1.00 0.00 C ATOM 543 O VAL A 39 -9.009 -2.294 -2.790 1.00 0.00 O ATOM 544 CB VAL A 39 -11.652 -1.309 -0.885 1.00 0.00 C ATOM 545 CG1 VAL A 39 -11.335 -0.030 -1.669 1.00 0.00 C ATOM 546 CG2 VAL A 39 -13.112 -1.671 -1.162 1.00 0.00 C ATOM 0 H VAL A 39 -11.288 -3.084 0.765 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.204 -3.050 -2.035 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.454 -1.081 0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.027 0.759 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -10.313 0.284 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.439 -0.223 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.747 -0.811 -0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.224 -1.955 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -13.407 -2.506 -0.526 1.00 0.00 H new ATOM 556 N PHE A 40 -8.488 -1.723 -0.682 1.00 0.00 N ATOM 557 CA PHE A 40 -7.121 -1.339 -1.001 1.00 0.00 C ATOM 558 C PHE A 40 -6.366 -2.461 -1.721 1.00 0.00 C ATOM 559 O PHE A 40 -5.751 -2.236 -2.761 1.00 0.00 O ATOM 560 CB PHE A 40 -6.433 -0.885 0.283 1.00 0.00 C ATOM 561 CG PHE A 40 -4.998 -0.493 0.044 1.00 0.00 C ATOM 562 CD1 PHE A 40 -4.710 0.710 -0.626 1.00 0.00 C ATOM 563 CD2 PHE A 40 -3.957 -1.362 0.423 1.00 0.00 C ATOM 564 CE1 PHE A 40 -3.374 1.062 -0.853 1.00 0.00 C ATOM 565 CE2 PHE A 40 -2.620 -1.018 0.165 1.00 0.00 C ATOM 566 CZ PHE A 40 -2.335 0.216 -0.448 1.00 0.00 C ATOM 0 H PHE A 40 -8.728 -1.634 0.305 1.00 0.00 H new ATOM 0 HA PHE A 40 -7.126 -0.507 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.975 -0.039 0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.472 -1.688 1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.510 1.354 -0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.187 -2.296 0.914 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.143 1.995 -1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.820 -1.692 0.434 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.309 0.512 -0.607 1.00 0.00 H new ATOM 576 N GLY A 41 -6.456 -3.692 -1.228 1.00 0.00 N ATOM 577 CA GLY A 41 -5.817 -4.834 -1.816 1.00 0.00 C ATOM 578 C GLY A 41 -6.509 -5.265 -3.087 1.00 0.00 C ATOM 579 O GLY A 41 -5.824 -5.693 -3.994 1.00 0.00 O ATOM 0 H GLY A 41 -6.991 -3.914 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.775 -4.598 -2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.817 -5.659 -1.103 1.00 0.00 H new ATOM 583 N HIS A 42 -7.829 -5.141 -3.184 1.00 0.00 N ATOM 584 CA HIS A 42 -8.599 -5.552 -4.345 1.00 0.00 C ATOM 585 C HIS A 42 -8.242 -4.659 -5.538 1.00 0.00 C ATOM 586 O HIS A 42 -8.247 -5.139 -6.669 1.00 0.00 O ATOM 587 CB HIS A 42 -10.090 -5.472 -3.976 1.00 0.00 C ATOM 588 CG HIS A 42 -11.042 -6.187 -4.896 1.00 0.00 C ATOM 589 ND1 HIS A 42 -11.860 -7.238 -4.534 1.00 0.00 N ATOM 590 CD2 HIS A 42 -11.340 -5.851 -6.187 1.00 0.00 C ATOM 591 CE1 HIS A 42 -12.657 -7.519 -5.577 1.00 0.00 C ATOM 592 NE2 HIS A 42 -12.366 -6.710 -6.608 1.00 0.00 N ATOM 0 H HIS A 42 -8.402 -4.743 -2.440 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.369 -6.577 -4.636 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -10.216 -5.876 -2.971 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -10.377 -4.421 -3.936 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -10.874 -5.072 -6.772 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.420 -8.283 -5.585 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -12.809 -6.718 -7.527 1.00 0.00 H new ATOM 600 N TYR A 43 -7.911 -3.388 -5.285 1.00 0.00 N ATOM 601 CA TYR A 43 -7.629 -2.391 -6.304 1.00 0.00 C ATOM 602 C TYR A 43 -6.133 -2.133 -6.449 1.00 0.00 C ATOM 603 O TYR A 43 -5.557 -2.492 -7.474 1.00 0.00 O ATOM 604 CB TYR A 43 -8.391 -1.099 -5.995 1.00 0.00 C ATOM 605 CG TYR A 43 -9.840 -1.139 -6.429 1.00 0.00 C ATOM 606 CD1 TYR A 43 -10.830 -1.684 -5.589 1.00 0.00 C ATOM 607 CD2 TYR A 43 -10.186 -0.645 -7.699 1.00 0.00 C ATOM 608 CE1 TYR A 43 -12.173 -1.718 -6.005 1.00 0.00 C ATOM 609 CE2 TYR A 43 -11.527 -0.637 -8.109 1.00 0.00 C ATOM 610 CZ TYR A 43 -12.530 -1.154 -7.257 1.00 0.00 C ATOM 611 OH TYR A 43 -13.830 -1.049 -7.651 1.00 0.00 O ATOM 0 H TYR A 43 -7.832 -3.022 -4.336 1.00 0.00 H new ATOM 0 HA TYR A 43 -7.973 -2.779 -7.263 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -8.345 -0.906 -4.923 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.894 -0.265 -6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -10.557 -2.078 -4.621 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.418 -0.271 -8.360 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -12.926 -2.170 -5.377 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.794 -0.236 -9.076 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.870 -0.635 -8.538 1.00 0.00 H new ATOM 621 N VAL A 44 -5.520 -1.453 -5.479 1.00 0.00 N ATOM 622 CA VAL A 44 -4.163 -0.922 -5.586 1.00 0.00 C ATOM 623 C VAL A 44 -3.206 -2.087 -5.784 1.00 0.00 C ATOM 624 O VAL A 44 -2.319 -2.014 -6.632 1.00 0.00 O ATOM 625 CB VAL A 44 -3.807 -0.076 -4.337 1.00 0.00 C ATOM 626 CG1 VAL A 44 -2.404 0.559 -4.400 1.00 0.00 C ATOM 627 CG2 VAL A 44 -4.856 1.029 -4.158 1.00 0.00 C ATOM 0 H VAL A 44 -5.962 -1.253 -4.582 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.083 -0.254 -6.443 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.803 -0.759 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.225 1.136 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.653 -0.226 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.341 1.217 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.609 1.626 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.866 1.668 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.840 0.579 -4.025 1.00 0.00 H new ATOM 637 N LEU A 45 -3.393 -3.165 -5.018 1.00 0.00 N ATOM 638 CA LEU A 45 -2.434 -4.269 -4.979 1.00 0.00 C ATOM 639 C LEU A 45 -2.830 -5.407 -5.909 1.00 0.00 C ATOM 640 O LEU A 45 -1.952 -6.070 -6.466 1.00 0.00 O ATOM 641 CB LEU A 45 -2.288 -4.777 -3.536 1.00 0.00 C ATOM 642 CG LEU A 45 -2.035 -3.655 -2.509 1.00 0.00 C ATOM 643 CD1 LEU A 45 -1.771 -4.240 -1.117 1.00 0.00 C ATOM 644 CD2 LEU A 45 -0.874 -2.743 -2.898 1.00 0.00 C ATOM 0 H LEU A 45 -4.205 -3.296 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.474 -3.891 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.193 -5.317 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.465 -5.490 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.942 -3.051 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.595 -3.430 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.636 -4.821 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.894 -4.886 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.745 -1.974 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.040 -3.331 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.087 -2.272 -3.858 1.00 0.00 H new ATOM 656 N GLY A 46 -4.133 -5.632 -6.070 1.00 0.00 N ATOM 657 CA GLY A 46 -4.646 -6.681 -6.940 1.00 0.00 C ATOM 658 C GLY A 46 -4.618 -8.054 -6.262 1.00 0.00 C ATOM 659 O GLY A 46 -4.405 -9.064 -6.933 1.00 0.00 O ATOM 0 H GLY A 46 -4.859 -5.091 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.669 -6.442 -7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.053 -6.716 -7.854 1.00 0.00 H new ATOM 663 N LEU A 47 -4.760 -8.119 -4.931 1.00 0.00 N ATOM 664 CA LEU A 47 -4.591 -9.325 -4.151 1.00 0.00 C ATOM 665 C LEU A 47 -5.836 -9.596 -3.311 1.00 0.00 C ATOM 666 O LEU A 47 -6.600 -8.688 -2.965 1.00 0.00 O ATOM 667 CB LEU A 47 -3.375 -9.115 -3.246 1.00 0.00 C ATOM 668 CG LEU A 47 -2.031 -8.990 -3.975 1.00 0.00 C ATOM 669 CD1 LEU A 47 -0.955 -8.614 -2.960 1.00 0.00 C ATOM 670 CD2 LEU A 47 -1.645 -10.305 -4.650 1.00 0.00 C ATOM 0 H LEU A 47 -5.002 -7.306 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.441 -10.185 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.534 -8.214 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.314 -9.949 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.121 -8.223 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.006 -8.522 -3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.212 -7.663 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.890 -9.388 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.688 -10.186 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.561 -11.089 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.410 -10.580 -5.376 1.00 0.00 H new ATOM 682 N SER A 48 -5.986 -10.865 -2.932 1.00 0.00 N ATOM 683 CA SER A 48 -7.037 -11.346 -2.055 1.00 0.00 C ATOM 684 C SER A 48 -6.951 -10.653 -0.688 1.00 0.00 C ATOM 685 O SER A 48 -5.899 -10.137 -0.293 1.00 0.00 O ATOM 686 CB SER A 48 -6.894 -12.872 -1.948 1.00 0.00 C ATOM 687 OG SER A 48 -8.009 -13.505 -1.353 1.00 0.00 O ATOM 0 H SER A 48 -5.356 -11.605 -3.240 1.00 0.00 H new ATOM 0 HA SER A 48 -8.022 -11.109 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.742 -13.285 -2.945 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.002 -13.105 -1.367 1.00 0.00 H new ATOM 0 HG SER A 48 -7.855 -14.472 -1.317 1.00 0.00 H new ATOM 693 N GLN A 49 -8.061 -10.691 0.052 1.00 0.00 N ATOM 694 CA GLN A 49 -8.224 -10.002 1.324 1.00 0.00 C ATOM 695 C GLN A 49 -7.114 -10.389 2.299 1.00 0.00 C ATOM 696 O GLN A 49 -6.401 -9.520 2.814 1.00 0.00 O ATOM 697 CB GLN A 49 -9.600 -10.292 1.951 1.00 0.00 C ATOM 698 CG GLN A 49 -10.808 -9.898 1.092 1.00 0.00 C ATOM 699 CD GLN A 49 -11.253 -10.981 0.111 1.00 0.00 C ATOM 700 OE1 GLN A 49 -10.809 -11.017 -1.035 1.00 0.00 O ATOM 701 NE2 GLN A 49 -12.153 -11.862 0.503 1.00 0.00 N ATOM 0 H GLN A 49 -8.889 -11.216 -0.228 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.160 -8.933 1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.663 -11.358 2.171 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.665 -9.766 2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.643 -9.652 1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.564 -8.994 0.533 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.519 -11.829 1.455 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.483 -12.577 -0.145 1.00 0.00 H new ATOM 710 N GLY A 50 -6.973 -11.691 2.545 1.00 0.00 N ATOM 711 CA GLY A 50 -5.981 -12.226 3.451 1.00 0.00 C ATOM 712 C GLY A 50 -4.571 -12.021 2.925 1.00 0.00 C ATOM 713 O GLY A 50 -3.653 -11.845 3.726 1.00 0.00 O ATOM 0 H GLY A 50 -7.557 -12.406 2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.080 -11.745 4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.162 -13.290 3.602 1.00 0.00 H new ATOM 717 N SER A 51 -4.384 -12.002 1.602 1.00 0.00 N ATOM 718 CA SER A 51 -3.088 -11.763 0.996 1.00 0.00 C ATOM 719 C SER A 51 -2.550 -10.402 1.440 1.00 0.00 C ATOM 720 O SER A 51 -1.490 -10.400 2.054 1.00 0.00 O ATOM 721 CB SER A 51 -3.142 -11.951 -0.520 1.00 0.00 C ATOM 722 OG SER A 51 -3.637 -13.247 -0.805 1.00 0.00 O ATOM 0 H SER A 51 -5.134 -12.153 0.927 1.00 0.00 H new ATOM 0 HA SER A 51 -2.374 -12.508 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.785 -11.195 -0.971 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.149 -11.824 -0.951 1.00 0.00 H new ATOM 0 HG SER A 51 -3.677 -13.376 -1.776 1.00 0.00 H new ATOM 728 N VAL A 52 -3.231 -9.266 1.223 1.00 0.00 N ATOM 729 CA VAL A 52 -2.696 -7.988 1.710 1.00 0.00 C ATOM 730 C VAL A 52 -2.660 -7.881 3.225 1.00 0.00 C ATOM 731 O VAL A 52 -1.744 -7.283 3.775 1.00 0.00 O ATOM 732 CB VAL A 52 -3.434 -6.782 1.116 1.00 0.00 C ATOM 733 CG1 VAL A 52 -3.612 -7.038 -0.381 1.00 0.00 C ATOM 734 CG2 VAL A 52 -4.744 -6.278 1.764 1.00 0.00 C ATOM 0 H VAL A 52 -4.122 -9.205 0.731 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.664 -7.971 1.360 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.785 -5.938 1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.135 -6.196 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.634 -7.153 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.193 -7.948 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.119 -5.420 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.488 -7.074 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.550 -5.984 2.796 1.00 0.00 H new ATOM 744 N SER A 53 -3.651 -8.427 3.914 1.00 0.00 N ATOM 745 CA SER A 53 -3.682 -8.352 5.367 1.00 0.00 C ATOM 746 C SER A 53 -2.469 -9.078 5.975 1.00 0.00 C ATOM 747 O SER A 53 -1.962 -8.608 6.990 1.00 0.00 O ATOM 748 CB SER A 53 -5.049 -8.840 5.853 1.00 0.00 C ATOM 749 OG SER A 53 -5.304 -8.587 7.228 1.00 0.00 O ATOM 0 H SER A 53 -4.438 -8.923 3.495 1.00 0.00 H new ATOM 0 HA SER A 53 -3.580 -7.324 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.826 -8.361 5.257 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.124 -9.912 5.673 1.00 0.00 H new ATOM 0 HG SER A 53 -6.193 -8.924 7.463 1.00 0.00 H new ATOM 755 N GLU A 54 -1.942 -10.135 5.347 1.00 0.00 N ATOM 756 CA GLU A 54 -0.621 -10.700 5.630 1.00 0.00 C ATOM 757 C GLU A 54 0.478 -9.663 5.400 1.00 0.00 C ATOM 758 O GLU A 54 1.330 -9.496 6.264 1.00 0.00 O ATOM 759 CB GLU A 54 -0.411 -11.957 4.768 1.00 0.00 C ATOM 760 CG GLU A 54 1.031 -12.254 4.331 1.00 0.00 C ATOM 761 CD GLU A 54 1.943 -12.791 5.429 1.00 0.00 C ATOM 762 OE1 GLU A 54 1.554 -12.824 6.615 1.00 0.00 O ATOM 763 OE2 GLU A 54 3.080 -13.198 5.080 1.00 0.00 O ATOM 0 H GLU A 54 -2.437 -10.634 4.608 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.567 -10.987 6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.784 -12.818 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.027 -11.864 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.005 -12.977 3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.469 -11.339 3.932 1.00 0.00 H new ATOM 770 N ILE A 55 0.493 -8.976 4.253 1.00 0.00 N ATOM 771 CA ILE A 55 1.547 -8.021 3.919 1.00 0.00 C ATOM 772 C ILE A 55 1.648 -6.976 5.040 1.00 0.00 C ATOM 773 O ILE A 55 2.741 -6.629 5.480 1.00 0.00 O ATOM 774 CB ILE A 55 1.268 -7.350 2.551 1.00 0.00 C ATOM 775 CG1 ILE A 55 1.049 -8.373 1.425 1.00 0.00 C ATOM 776 CG2 ILE A 55 2.390 -6.407 2.120 1.00 0.00 C ATOM 777 CD1 ILE A 55 0.989 -7.774 0.022 1.00 0.00 C ATOM 0 H ILE A 55 -0.224 -9.068 3.534 1.00 0.00 H new ATOM 0 HA ILE A 55 2.499 -8.545 3.833 1.00 0.00 H new ATOM 0 HB ILE A 55 0.353 -6.779 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.854 -9.107 1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.120 -8.910 1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.143 -5.964 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.507 -5.617 2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.322 -6.966 2.035 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.832 -8.569 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.165 -7.062 -0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.927 -7.262 -0.196 1.00 0.00 H new ATOM 789 N LEU A 56 0.494 -6.492 5.503 1.00 0.00 N ATOM 790 CA LEU A 56 0.383 -5.460 6.523 1.00 0.00 C ATOM 791 C LEU A 56 0.585 -6.001 7.941 1.00 0.00 C ATOM 792 O LEU A 56 0.747 -5.209 8.870 1.00 0.00 O ATOM 793 CB LEU A 56 -0.988 -4.777 6.397 1.00 0.00 C ATOM 794 CG LEU A 56 -1.271 -4.164 5.008 1.00 0.00 C ATOM 795 CD1 LEU A 56 -2.643 -3.497 4.994 1.00 0.00 C ATOM 796 CD2 LEU A 56 -0.214 -3.143 4.579 1.00 0.00 C ATOM 0 H LEU A 56 -0.411 -6.819 5.166 1.00 0.00 H new ATOM 0 HA LEU A 56 1.182 -4.738 6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.766 -5.506 6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.059 -3.991 7.149 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.241 -4.989 4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.830 -3.069 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.410 -4.238 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.671 -2.707 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.468 -2.748 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.182 -2.327 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.762 -3.626 4.535 1.00 0.00 H new ATOM 808 N ALA A 57 0.551 -7.322 8.112 1.00 0.00 N ATOM 809 CA ALA A 57 0.781 -8.021 9.364 1.00 0.00 C ATOM 810 C ALA A 57 2.269 -8.321 9.526 1.00 0.00 C ATOM 811 O ALA A 57 2.886 -7.890 10.498 1.00 0.00 O ATOM 812 CB ALA A 57 -0.042 -9.313 9.360 1.00 0.00 C ATOM 0 H ALA A 57 0.352 -7.959 7.341 1.00 0.00 H new ATOM 0 HA ALA A 57 0.471 -7.401 10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.120 -9.850 10.294 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.100 -9.070 9.259 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.268 -9.939 8.523 1.00 0.00 H new ATOM 818 N ARG A 58 2.852 -9.047 8.569 1.00 0.00 N ATOM 819 CA ARG A 58 4.245 -9.474 8.573 1.00 0.00 C ATOM 820 C ARG A 58 4.887 -8.988 7.279 1.00 0.00 C ATOM 821 O ARG A 58 5.049 -9.768 6.335 1.00 0.00 O ATOM 822 CB ARG A 58 4.352 -10.991 8.794 1.00 0.00 C ATOM 823 CG ARG A 58 3.618 -11.379 10.083 1.00 0.00 C ATOM 824 CD ARG A 58 4.074 -12.734 10.643 1.00 0.00 C ATOM 825 NE ARG A 58 5.237 -12.629 11.537 1.00 0.00 N ATOM 826 CZ ARG A 58 5.221 -12.215 12.809 1.00 0.00 C ATOM 827 NH1 ARG A 58 4.120 -11.696 13.337 1.00 0.00 N ATOM 828 NH2 ARG A 58 6.315 -12.312 13.561 1.00 0.00 N ATOM 0 H ARG A 58 2.345 -9.363 7.742 1.00 0.00 H new ATOM 0 HA ARG A 58 4.792 -9.033 9.406 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.922 -11.523 7.945 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.399 -11.286 8.858 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.781 -10.607 10.835 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.546 -11.414 9.889 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.247 -13.193 11.185 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.319 -13.398 9.814 1.00 0.00 H new ATOM 0 HE ARG A 58 6.142 -12.897 11.150 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.275 -11.610 12.772 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.118 -11.383 14.308 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.171 -12.703 13.168 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.297 -11.995 14.530 1.00 0.00 H new ATOM 842 N PRO A 59 5.243 -7.697 7.207 1.00 0.00 N ATOM 843 CA PRO A 59 5.948 -7.134 6.075 1.00 0.00 C ATOM 844 C PRO A 59 7.383 -7.651 6.124 1.00 0.00 C ATOM 845 O PRO A 59 8.225 -7.108 6.842 1.00 0.00 O ATOM 846 CB PRO A 59 5.832 -5.616 6.230 1.00 0.00 C ATOM 847 CG PRO A 59 5.651 -5.401 7.731 1.00 0.00 C ATOM 848 CD PRO A 59 5.042 -6.701 8.248 1.00 0.00 C ATOM 0 HA PRO A 59 5.547 -7.415 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.724 -5.109 5.861 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.986 -5.222 5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.604 -5.191 8.217 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.997 -4.552 7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.520 -7.010 9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.981 -6.573 8.462 1.00 0.00 H new ATOM 856 N LYS A 60 7.659 -8.751 5.419 1.00 0.00 N ATOM 857 CA LYS A 60 8.952 -9.375 5.386 1.00 0.00 C ATOM 858 C LYS A 60 9.977 -8.432 4.772 1.00 0.00 C ATOM 859 O LYS A 60 9.610 -7.451 4.115 1.00 0.00 O ATOM 860 CB LYS A 60 8.837 -10.694 4.604 1.00 0.00 C ATOM 861 CG LYS A 60 8.563 -11.843 5.577 1.00 0.00 C ATOM 862 CD LYS A 60 8.615 -13.225 4.923 1.00 0.00 C ATOM 863 CE LYS A 60 7.473 -13.342 3.918 1.00 0.00 C ATOM 864 NZ LYS A 60 7.332 -14.695 3.357 1.00 0.00 N ATOM 0 H LYS A 60 6.963 -9.231 4.848 1.00 0.00 H new ATOM 0 HA LYS A 60 9.295 -9.598 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.034 -10.625 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.758 -10.883 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.293 -11.805 6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.581 -11.700 6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.573 -13.369 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.531 -14.004 5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.539 -13.058 4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.638 -12.634 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.541 -14.710 2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.210 -14.961 2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.145 -15.371 4.125 1.00 0.00 H new ATOM 878 N PRO A 61 11.263 -8.760 4.943 1.00 0.00 N ATOM 879 CA PRO A 61 12.349 -7.958 4.420 1.00 0.00 C ATOM 880 C PRO A 61 12.195 -7.775 2.918 1.00 0.00 C ATOM 881 O PRO A 61 11.872 -8.744 2.233 1.00 0.00 O ATOM 882 CB PRO A 61 13.630 -8.735 4.751 1.00 0.00 C ATOM 883 CG PRO A 61 13.224 -9.741 5.821 1.00 0.00 C ATOM 884 CD PRO A 61 11.745 -9.968 5.589 1.00 0.00 C ATOM 0 HA PRO A 61 12.367 -6.959 4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.025 -9.238 3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.412 -8.068 5.114 1.00 0.00 H new ATOM 0 HG2 PRO A 61 13.787 -10.669 5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.414 -9.354 6.822 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.576 -10.843 4.961 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.223 -10.145 6.529 1.00 0.00 H new ATOM 892 N TRP A 62 12.522 -6.604 2.374 1.00 0.00 N ATOM 893 CA TRP A 62 12.528 -6.396 0.927 1.00 0.00 C ATOM 894 C TRP A 62 13.390 -7.468 0.252 1.00 0.00 C ATOM 895 O TRP A 62 12.927 -8.163 -0.654 1.00 0.00 O ATOM 896 CB TRP A 62 13.026 -4.980 0.629 1.00 0.00 C ATOM 897 CG TRP A 62 13.096 -4.638 -0.825 1.00 0.00 C ATOM 898 CD1 TRP A 62 14.221 -4.630 -1.578 1.00 0.00 C ATOM 899 CD2 TRP A 62 12.010 -4.233 -1.714 1.00 0.00 C ATOM 900 NE1 TRP A 62 13.899 -4.252 -2.866 1.00 0.00 N ATOM 901 CE2 TRP A 62 12.556 -3.994 -3.008 1.00 0.00 C ATOM 902 CE3 TRP A 62 10.624 -4.016 -1.558 1.00 0.00 C ATOM 903 CZ2 TRP A 62 11.776 -3.564 -4.091 1.00 0.00 C ATOM 904 CZ3 TRP A 62 9.820 -3.650 -2.654 1.00 0.00 C ATOM 905 CH2 TRP A 62 10.393 -3.407 -3.915 1.00 0.00 C ATOM 0 H TRP A 62 12.787 -5.782 2.916 1.00 0.00 H new ATOM 0 HA TRP A 62 11.520 -6.491 0.523 1.00 0.00 H new ATOM 0 HB2 TRP A 62 12.369 -4.266 1.126 1.00 0.00 H new ATOM 0 HB3 TRP A 62 14.017 -4.858 1.066 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.212 -4.879 -1.227 1.00 0.00 H new ATOM 0 HE1 TRP A 62 14.578 -4.173 -3.623 1.00 0.00 H new ATOM 0 HE3 TRP A 62 10.174 -4.132 -0.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 12.233 -3.357 -5.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 8.752 -3.555 -2.525 1.00 0.00 H new ATOM 0 HH2 TRP A 62 9.772 -3.101 -4.744 1.00 0.00 H new ATOM 916 N ARG A 63 14.596 -7.703 0.783 1.00 0.00 N ATOM 917 CA ARG A 63 15.496 -8.767 0.340 1.00 0.00 C ATOM 918 C ARG A 63 14.914 -10.185 0.412 1.00 0.00 C ATOM 919 O ARG A 63 15.451 -11.088 -0.231 1.00 0.00 O ATOM 920 CB ARG A 63 16.838 -8.670 1.094 1.00 0.00 C ATOM 921 CG ARG A 63 16.840 -8.899 2.620 1.00 0.00 C ATOM 922 CD ARG A 63 16.736 -7.621 3.473 1.00 0.00 C ATOM 923 NE ARG A 63 18.009 -6.892 3.593 1.00 0.00 N ATOM 924 CZ ARG A 63 18.178 -5.762 4.297 1.00 0.00 C ATOM 925 NH1 ARG A 63 17.157 -5.160 4.895 1.00 0.00 N ATOM 926 NH2 ARG A 63 19.382 -5.227 4.444 1.00 0.00 N ATOM 0 H ARG A 63 14.978 -7.146 1.547 1.00 0.00 H new ATOM 0 HA ARG A 63 15.654 -8.597 -0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 63 17.522 -9.393 0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.254 -7.680 0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.008 -9.555 2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.755 -9.425 2.892 1.00 0.00 H new ATOM 0 HD2 ARG A 63 15.988 -6.961 3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.383 -7.886 4.469 1.00 0.00 H new ATOM 0 HE ARG A 63 18.821 -7.273 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 63 16.219 -5.556 4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 63 17.310 -4.302 5.425 1.00 0.00 H new ATOM 0 HH21 ARG A 63 20.194 -5.675 4.019 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.496 -4.368 4.982 1.00 0.00 H new ATOM 940 N LYS A 64 13.869 -10.436 1.206 1.00 0.00 N ATOM 941 CA LYS A 64 13.215 -11.745 1.290 1.00 0.00 C ATOM 942 C LYS A 64 12.162 -11.921 0.204 1.00 0.00 C ATOM 943 O LYS A 64 11.821 -13.063 -0.121 1.00 0.00 O ATOM 944 CB LYS A 64 12.558 -11.911 2.678 1.00 0.00 C ATOM 945 CG LYS A 64 13.511 -12.597 3.659 1.00 0.00 C ATOM 946 CD LYS A 64 13.513 -14.101 3.396 1.00 0.00 C ATOM 947 CE LYS A 64 14.894 -14.729 3.575 1.00 0.00 C ATOM 948 NZ LYS A 64 14.998 -16.005 2.840 1.00 0.00 N ATOM 0 H LYS A 64 13.450 -9.731 1.813 1.00 0.00 H new ATOM 0 HA LYS A 64 13.979 -12.508 1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.271 -10.934 3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.644 -12.497 2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.518 -12.196 3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.201 -12.396 4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.808 -14.585 4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.162 -14.289 2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.659 -14.038 3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.085 -14.900 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.946 -16.409 2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.282 -16.670 3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.839 -15.836 1.826 1.00 0.00 H new ATOM 962 N LEU A 65 11.608 -10.833 -0.322 1.00 0.00 N ATOM 963 CA LEU A 65 10.552 -10.875 -1.322 1.00 0.00 C ATOM 964 C LEU A 65 11.182 -10.982 -2.714 1.00 0.00 C ATOM 965 O LEU A 65 12.378 -10.755 -2.892 1.00 0.00 O ATOM 966 CB LEU A 65 9.662 -9.624 -1.212 1.00 0.00 C ATOM 967 CG LEU A 65 9.154 -9.278 0.197 1.00 0.00 C ATOM 968 CD1 LEU A 65 8.434 -7.935 0.135 1.00 0.00 C ATOM 969 CD2 LEU A 65 8.260 -10.363 0.810 1.00 0.00 C ATOM 0 H LEU A 65 11.885 -9.887 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 65 9.920 -11.747 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.221 -8.770 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.799 -9.758 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 65 10.016 -9.216 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.066 -7.673 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.126 -7.167 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.594 -8.004 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.939 -10.051 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.386 -10.515 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.819 -11.295 0.886 1.00 0.00 H new ATOM 981 N THR A 66 10.361 -11.291 -3.714 1.00 0.00 N ATOM 982 CA THR A 66 10.722 -11.296 -5.136 1.00 0.00 C ATOM 983 C THR A 66 9.689 -10.480 -5.903 1.00 0.00 C ATOM 984 O THR A 66 8.856 -9.872 -5.242 1.00 0.00 O ATOM 985 CB THR A 66 10.864 -12.737 -5.629 1.00 0.00 C ATOM 986 OG1 THR A 66 9.636 -13.435 -5.497 1.00 0.00 O ATOM 987 CG2 THR A 66 11.927 -13.485 -4.830 1.00 0.00 C ATOM 0 H THR A 66 9.389 -11.555 -3.554 1.00 0.00 H new ATOM 0 HA THR A 66 11.691 -10.826 -5.303 1.00 0.00 H new ATOM 0 HB THR A 66 11.156 -12.692 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.746 -14.354 -5.819 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.008 -14.507 -5.200 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.887 -12.981 -4.941 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.646 -13.502 -3.777 1.00 0.00 H new ATOM 995 N VAL A 67 9.696 -10.451 -7.238 1.00 0.00 N ATOM 996 CA VAL A 67 8.795 -9.621 -8.043 1.00 0.00 C ATOM 997 C VAL A 67 7.355 -9.666 -7.509 1.00 0.00 C ATOM 998 O VAL A 67 6.821 -8.628 -7.134 1.00 0.00 O ATOM 999 CB VAL A 67 8.901 -9.991 -9.540 1.00 0.00 C ATOM 1000 CG1 VAL A 67 8.039 -9.075 -10.423 1.00 0.00 C ATOM 1001 CG2 VAL A 67 10.359 -9.909 -10.019 1.00 0.00 C ATOM 0 H VAL A 67 10.337 -11.012 -7.799 1.00 0.00 H new ATOM 0 HA VAL A 67 9.111 -8.582 -7.954 1.00 0.00 H new ATOM 0 HB VAL A 67 8.534 -11.013 -9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.144 -9.371 -11.467 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.994 -9.161 -10.125 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.366 -8.042 -10.304 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.410 -10.173 -11.075 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.731 -8.894 -9.881 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.971 -10.602 -9.441 1.00 0.00 H new ATOM 1011 N LYS A 68 6.720 -10.836 -7.377 1.00 0.00 N ATOM 1012 CA LYS A 68 5.333 -10.889 -6.896 1.00 0.00 C ATOM 1013 C LYS A 68 5.194 -10.636 -5.394 1.00 0.00 C ATOM 1014 O LYS A 68 4.090 -10.343 -4.935 1.00 0.00 O ATOM 1015 CB LYS A 68 4.696 -12.223 -7.296 1.00 0.00 C ATOM 1016 CG LYS A 68 4.290 -12.252 -8.774 1.00 0.00 C ATOM 1017 CD LYS A 68 3.122 -11.320 -9.173 1.00 0.00 C ATOM 1018 CE LYS A 68 3.478 -10.620 -10.492 1.00 0.00 C ATOM 1019 NZ LYS A 68 2.478 -9.635 -10.960 1.00 0.00 N ATOM 0 H LYS A 68 7.134 -11.743 -7.592 1.00 0.00 H new ATOM 0 HA LYS A 68 4.798 -10.070 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.398 -13.033 -7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.818 -12.404 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.161 -11.989 -9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.019 -13.275 -9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.202 -11.894 -9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.943 -10.583 -8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.436 -10.115 -10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.611 -11.377 -11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.650 -9.415 -11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.523 -10.032 -10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.557 -8.765 -10.396 1.00 0.00 H new ATOM 1033 N GLY A 69 6.282 -10.719 -4.637 1.00 0.00 N ATOM 1034 CA GLY A 69 6.387 -10.261 -3.261 1.00 0.00 C ATOM 1035 C GLY A 69 6.421 -8.737 -3.181 1.00 0.00 C ATOM 1036 O GLY A 69 5.788 -8.152 -2.309 1.00 0.00 O ATOM 0 H GLY A 69 7.151 -11.125 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.542 -10.638 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.290 -10.671 -2.808 1.00 0.00 H new ATOM 1040 N LYS A 70 7.170 -8.093 -4.074 1.00 0.00 N ATOM 1041 CA LYS A 70 7.466 -6.667 -4.106 1.00 0.00 C ATOM 1042 C LYS A 70 6.383 -5.885 -4.832 1.00 0.00 C ATOM 1043 O LYS A 70 6.169 -4.732 -4.496 1.00 0.00 O ATOM 1044 CB LYS A 70 8.802 -6.463 -4.838 1.00 0.00 C ATOM 1045 CG LYS A 70 9.992 -6.981 -4.016 1.00 0.00 C ATOM 1046 CD LYS A 70 11.277 -6.933 -4.843 1.00 0.00 C ATOM 1047 CE LYS A 70 12.487 -7.291 -3.978 1.00 0.00 C ATOM 1048 NZ LYS A 70 13.726 -7.288 -4.783 1.00 0.00 N ATOM 0 H LYS A 70 7.615 -8.590 -4.846 1.00 0.00 H new ATOM 0 HA LYS A 70 7.517 -6.302 -3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.772 -6.979 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.941 -5.403 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.109 -6.378 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.800 -8.004 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.203 -7.627 -5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.407 -5.937 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.578 -6.578 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.341 -8.274 -3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.535 -7.533 -4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.644 -7.986 -5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.873 -6.342 -5.190 1.00 0.00 H new ATOM 1062 N GLU A 71 5.660 -6.518 -5.753 1.00 0.00 N ATOM 1063 CA GLU A 71 4.561 -5.985 -6.548 1.00 0.00 C ATOM 1064 C GLU A 71 3.628 -5.119 -5.703 1.00 0.00 C ATOM 1065 O GLU A 71 3.456 -3.944 -6.028 1.00 0.00 O ATOM 1066 CB GLU A 71 3.805 -7.162 -7.195 1.00 0.00 C ATOM 1067 CG GLU A 71 4.220 -7.405 -8.645 1.00 0.00 C ATOM 1068 CD GLU A 71 3.368 -6.560 -9.580 1.00 0.00 C ATOM 1069 OE1 GLU A 71 2.291 -7.052 -9.974 1.00 0.00 O ATOM 1070 OE2 GLU A 71 3.766 -5.417 -9.902 1.00 0.00 O ATOM 0 H GLU A 71 5.844 -7.495 -5.979 1.00 0.00 H new ATOM 0 HA GLU A 71 4.960 -5.338 -7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.984 -8.067 -6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.734 -6.965 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.273 -7.157 -8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.107 -8.461 -8.892 1.00 0.00 H new ATOM 1077 N PRO A 72 3.041 -5.642 -4.611 1.00 0.00 N ATOM 1078 CA PRO A 72 2.162 -4.856 -3.776 1.00 0.00 C ATOM 1079 C PRO A 72 2.940 -3.700 -3.156 1.00 0.00 C ATOM 1080 O PRO A 72 2.490 -2.570 -3.263 1.00 0.00 O ATOM 1081 CB PRO A 72 1.567 -5.824 -2.753 1.00 0.00 C ATOM 1082 CG PRO A 72 2.581 -6.963 -2.702 1.00 0.00 C ATOM 1083 CD PRO A 72 3.187 -6.985 -4.076 1.00 0.00 C ATOM 0 HA PRO A 72 1.349 -4.389 -4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.446 -5.352 -1.778 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.583 -6.177 -3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.337 -6.788 -1.937 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.101 -7.912 -2.464 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.237 -7.274 -4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.682 -7.713 -4.711 1.00 0.00 H new ATOM 1091 N PHE A 73 4.103 -3.937 -2.544 1.00 0.00 N ATOM 1092 CA PHE A 73 4.879 -2.885 -1.898 1.00 0.00 C ATOM 1093 C PHE A 73 5.243 -1.744 -2.847 1.00 0.00 C ATOM 1094 O PHE A 73 5.159 -0.603 -2.420 1.00 0.00 O ATOM 1095 CB PHE A 73 6.133 -3.472 -1.251 1.00 0.00 C ATOM 1096 CG PHE A 73 5.850 -4.223 0.029 1.00 0.00 C ATOM 1097 CD1 PHE A 73 5.628 -3.505 1.217 1.00 0.00 C ATOM 1098 CD2 PHE A 73 5.802 -5.627 0.045 1.00 0.00 C ATOM 1099 CE1 PHE A 73 5.359 -4.190 2.411 1.00 0.00 C ATOM 1100 CE2 PHE A 73 5.623 -6.311 1.256 1.00 0.00 C ATOM 1101 CZ PHE A 73 5.400 -5.592 2.441 1.00 0.00 C ATOM 0 H PHE A 73 4.529 -4.862 -2.484 1.00 0.00 H new ATOM 0 HA PHE A 73 4.244 -2.452 -1.125 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.618 -4.144 -1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.837 -2.666 -1.043 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.665 -2.426 1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.903 -6.180 -0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.120 -3.638 3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.657 -7.390 1.277 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.260 -6.117 3.374 1.00 0.00 H new ATOM 1111 N ILE A 74 5.594 -2.024 -4.102 1.00 0.00 N ATOM 1112 CA ILE A 74 5.851 -1.022 -5.134 1.00 0.00 C ATOM 1113 C ILE A 74 4.598 -0.157 -5.289 1.00 0.00 C ATOM 1114 O ILE A 74 4.661 1.063 -5.154 1.00 0.00 O ATOM 1115 CB ILE A 74 6.270 -1.738 -6.445 1.00 0.00 C ATOM 1116 CG1 ILE A 74 7.686 -2.323 -6.278 1.00 0.00 C ATOM 1117 CG2 ILE A 74 6.177 -0.817 -7.674 1.00 0.00 C ATOM 1118 CD1 ILE A 74 8.097 -3.319 -7.371 1.00 0.00 C ATOM 0 H ILE A 74 5.710 -2.980 -4.437 1.00 0.00 H new ATOM 0 HA ILE A 74 6.674 -0.361 -4.861 1.00 0.00 H new ATOM 0 HB ILE A 74 5.567 -2.551 -6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.404 -1.503 -6.263 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.748 -2.820 -5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.481 -1.367 -8.565 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.150 -0.472 -7.793 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.834 0.042 -7.536 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.107 -3.679 -7.174 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.405 -4.161 -7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.072 -2.825 -8.342 1.00 0.00 H new ATOM 1130 N LYS A 75 3.453 -0.794 -5.555 1.00 0.00 N ATOM 1131 CA LYS A 75 2.188 -0.099 -5.774 1.00 0.00 C ATOM 1132 C LYS A 75 1.832 0.723 -4.532 1.00 0.00 C ATOM 1133 O LYS A 75 1.490 1.892 -4.658 1.00 0.00 O ATOM 1134 CB LYS A 75 1.084 -1.123 -6.132 1.00 0.00 C ATOM 1135 CG LYS A 75 1.360 -1.940 -7.416 1.00 0.00 C ATOM 1136 CD LYS A 75 0.646 -3.306 -7.445 1.00 0.00 C ATOM 1137 CE LYS A 75 1.202 -4.238 -8.531 1.00 0.00 C ATOM 1138 NZ LYS A 75 0.704 -3.937 -9.892 1.00 0.00 N ATOM 0 H LYS A 75 3.381 -1.809 -5.624 1.00 0.00 H new ATOM 0 HA LYS A 75 2.279 0.591 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.961 -1.813 -5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.139 -0.593 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.046 -1.357 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.434 -2.099 -7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.748 -3.786 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.420 -3.152 -7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.290 -4.172 -8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.944 -5.267 -8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.122 -4.606 -10.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.332 -4.027 -9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.972 -2.967 -10.153 1.00 0.00 H new ATOM 1152 N MET A 76 1.966 0.154 -3.328 1.00 0.00 N ATOM 1153 CA MET A 76 1.747 0.866 -2.070 1.00 0.00 C ATOM 1154 C MET A 76 2.658 2.081 -1.963 1.00 0.00 C ATOM 1155 O MET A 76 2.196 3.161 -1.638 1.00 0.00 O ATOM 1156 CB MET A 76 2.004 -0.014 -0.840 1.00 0.00 C ATOM 1157 CG MET A 76 1.061 -1.192 -0.690 1.00 0.00 C ATOM 1158 SD MET A 76 0.932 -1.994 0.931 1.00 0.00 S ATOM 1159 CE MET A 76 2.479 -2.898 0.947 1.00 0.00 C ATOM 0 H MET A 76 2.232 -0.823 -3.202 1.00 0.00 H new ATOM 0 HA MET A 76 0.699 1.166 -2.083 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.026 -0.389 -0.887 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.933 0.606 0.054 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.064 -0.857 -0.975 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.361 -1.951 -1.413 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.608 -3.382 1.915 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.467 -3.654 0.162 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.305 -2.208 0.773 1.00 0.00 H new ATOM 1169 N LYS A 77 3.957 1.916 -2.196 1.00 0.00 N ATOM 1170 CA LYS A 77 4.904 3.006 -2.027 1.00 0.00 C ATOM 1171 C LYS A 77 4.538 4.180 -2.955 1.00 0.00 C ATOM 1172 O LYS A 77 4.492 5.330 -2.524 1.00 0.00 O ATOM 1173 CB LYS A 77 6.337 2.496 -2.232 1.00 0.00 C ATOM 1174 CG LYS A 77 7.315 3.401 -1.473 1.00 0.00 C ATOM 1175 CD LYS A 77 8.735 3.314 -1.982 1.00 0.00 C ATOM 1176 CE LYS A 77 9.603 4.485 -1.506 1.00 0.00 C ATOM 1177 NZ LYS A 77 9.200 5.784 -2.084 1.00 0.00 N ATOM 0 H LYS A 77 4.375 1.037 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 77 4.851 3.389 -1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.424 1.469 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.583 2.487 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.974 4.434 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.299 3.134 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.180 2.377 -1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.726 3.292 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.552 4.547 -0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.643 4.287 -1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.965 6.476 -1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.012 5.668 -3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.339 6.123 -1.609 1.00 0.00 H new ATOM 1191 N GLN A 78 4.199 3.897 -4.218 1.00 0.00 N ATOM 1192 CA GLN A 78 3.868 4.928 -5.196 1.00 0.00 C ATOM 1193 C GLN A 78 2.495 5.540 -4.943 1.00 0.00 C ATOM 1194 O GLN A 78 2.256 6.694 -5.305 1.00 0.00 O ATOM 1195 CB GLN A 78 3.924 4.326 -6.601 1.00 0.00 C ATOM 1196 CG GLN A 78 5.370 4.012 -6.995 1.00 0.00 C ATOM 1197 CD GLN A 78 5.581 3.876 -8.499 1.00 0.00 C ATOM 1198 OE1 GLN A 78 5.026 4.604 -9.319 1.00 0.00 O ATOM 1199 NE2 GLN A 78 6.465 2.980 -8.905 1.00 0.00 N ATOM 0 H GLN A 78 4.148 2.947 -4.586 1.00 0.00 H new ATOM 0 HA GLN A 78 4.600 5.730 -5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.326 3.416 -6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.489 5.022 -7.318 1.00 0.00 H new ATOM 0 HG2 GLN A 78 6.020 4.801 -6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.676 3.086 -6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.927 2.375 -8.226 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.685 2.894 -9.897 1.00 0.00 H new ATOM 1208 N PHE A 79 1.584 4.776 -4.343 1.00 0.00 N ATOM 1209 CA PHE A 79 0.308 5.248 -3.833 1.00 0.00 C ATOM 1210 C PHE A 79 0.590 6.299 -2.757 1.00 0.00 C ATOM 1211 O PHE A 79 0.132 7.434 -2.852 1.00 0.00 O ATOM 1212 CB PHE A 79 -0.465 4.011 -3.349 1.00 0.00 C ATOM 1213 CG PHE A 79 -1.744 4.233 -2.581 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -1.717 4.431 -1.185 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -2.972 4.133 -3.250 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -2.918 4.523 -0.459 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -4.169 4.270 -2.539 1.00 0.00 C ATOM 1218 CZ PHE A 79 -4.147 4.427 -1.144 1.00 0.00 C ATOM 0 H PHE A 79 1.724 3.776 -4.196 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.316 5.742 -4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.701 3.402 -4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.204 3.423 -2.721 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.770 4.512 -0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.994 3.950 -4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.899 4.666 0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.112 4.255 -3.065 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.075 4.474 -0.593 1.00 0.00 H new ATOM 1228 N LEU A 80 1.412 5.953 -1.770 1.00 0.00 N ATOM 1229 CA LEU A 80 1.739 6.807 -0.636 1.00 0.00 C ATOM 1230 C LEU A 80 2.499 8.071 -1.031 1.00 0.00 C ATOM 1231 O LEU A 80 2.444 9.048 -0.286 1.00 0.00 O ATOM 1232 CB LEU A 80 2.590 6.009 0.353 1.00 0.00 C ATOM 1233 CG LEU A 80 1.836 4.864 1.043 1.00 0.00 C ATOM 1234 CD1 LEU A 80 2.837 3.934 1.718 1.00 0.00 C ATOM 1235 CD2 LEU A 80 0.812 5.392 2.037 1.00 0.00 C ATOM 0 H LEU A 80 1.880 5.047 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 80 0.796 7.125 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.451 5.598 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.976 6.687 1.114 1.00 0.00 H new ATOM 0 HG LEU A 80 1.283 4.302 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.304 3.120 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.515 3.524 0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.409 4.492 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.296 4.555 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.318 5.982 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.088 6.018 1.515 1.00 0.00 H new ATOM 1247 N SER A 81 3.182 8.107 -2.181 1.00 0.00 N ATOM 1248 CA SER A 81 3.861 9.317 -2.632 1.00 0.00 C ATOM 1249 C SER A 81 2.856 10.452 -2.881 1.00 0.00 C ATOM 1250 O SER A 81 3.235 11.620 -2.785 1.00 0.00 O ATOM 1251 CB SER A 81 4.691 9.038 -3.892 1.00 0.00 C ATOM 1252 OG SER A 81 5.872 8.300 -3.602 1.00 0.00 O ATOM 0 H SER A 81 3.276 7.311 -2.812 1.00 0.00 H new ATOM 0 HA SER A 81 4.540 9.637 -1.841 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.085 8.485 -4.609 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.961 9.983 -4.364 1.00 0.00 H new ATOM 0 HG SER A 81 6.371 8.142 -4.431 1.00 0.00 H new ATOM 1258 N ASP A 82 1.570 10.171 -3.104 1.00 0.00 N ATOM 1259 CA ASP A 82 0.580 11.172 -3.493 1.00 0.00 C ATOM 1260 C ASP A 82 -0.768 10.852 -2.845 1.00 0.00 C ATOM 1261 O ASP A 82 -1.356 9.802 -3.104 1.00 0.00 O ATOM 1262 CB ASP A 82 0.502 11.208 -5.020 1.00 0.00 C ATOM 1263 CG ASP A 82 -0.766 11.891 -5.521 1.00 0.00 C ATOM 1264 OD1 ASP A 82 -1.223 12.867 -4.882 1.00 0.00 O ATOM 1265 OD2 ASP A 82 -1.278 11.452 -6.568 1.00 0.00 O ATOM 0 H ASP A 82 1.185 9.230 -3.018 1.00 0.00 H new ATOM 0 HA ASP A 82 0.869 12.163 -3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.373 11.732 -5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.540 10.190 -5.407 1.00 0.00 H new ATOM 1270 N GLU A 83 -1.239 11.738 -1.966 1.00 0.00 N ATOM 1271 CA GLU A 83 -2.470 11.569 -1.197 1.00 0.00 C ATOM 1272 C GLU A 83 -3.715 11.516 -2.109 1.00 0.00 C ATOM 1273 O GLU A 83 -4.761 11.006 -1.705 1.00 0.00 O ATOM 1274 CB GLU A 83 -2.557 12.704 -0.155 1.00 0.00 C ATOM 1275 CG GLU A 83 -3.679 12.540 0.892 1.00 0.00 C ATOM 1276 CD GLU A 83 -3.164 12.373 2.329 1.00 0.00 C ATOM 1277 OE1 GLU A 83 -2.954 13.392 3.033 1.00 0.00 O ATOM 1278 OE2 GLU A 83 -3.028 11.223 2.800 1.00 0.00 O ATOM 0 H GLU A 83 -0.761 12.616 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.446 10.610 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.602 12.774 0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.704 13.648 -0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.334 13.410 0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.285 11.673 0.630 1.00 0.00 H new ATOM 1285 N GLN A 84 -3.650 11.980 -3.361 1.00 0.00 N ATOM 1286 CA GLN A 84 -4.783 11.843 -4.262 1.00 0.00 C ATOM 1287 C GLN A 84 -5.096 10.377 -4.579 1.00 0.00 C ATOM 1288 O GLN A 84 -6.247 10.084 -4.910 1.00 0.00 O ATOM 1289 CB GLN A 84 -4.552 12.686 -5.514 1.00 0.00 C ATOM 1290 CG GLN A 84 -4.775 14.182 -5.237 1.00 0.00 C ATOM 1291 CD GLN A 84 -6.166 14.624 -5.682 1.00 0.00 C ATOM 1292 OE1 GLN A 84 -6.357 15.102 -6.798 1.00 0.00 O ATOM 1293 NE2 GLN A 84 -7.174 14.530 -4.832 1.00 0.00 N ATOM 0 H GLN A 84 -2.836 12.445 -3.763 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.674 12.224 -3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.536 12.530 -5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.226 12.357 -6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.651 14.380 -4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.020 14.768 -5.760 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.023 14.134 -3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.102 14.853 -5.104 1.00 0.00 H new ATOM 1302 N ASN A 85 -4.152 9.443 -4.412 1.00 0.00 N ATOM 1303 CA ASN A 85 -4.432 8.029 -4.594 1.00 0.00 C ATOM 1304 C ASN A 85 -5.385 7.538 -3.502 1.00 0.00 C ATOM 1305 O ASN A 85 -6.432 6.967 -3.802 1.00 0.00 O ATOM 1306 CB ASN A 85 -3.142 7.212 -4.585 1.00 0.00 C ATOM 1307 CG ASN A 85 -2.212 7.528 -5.739 1.00 0.00 C ATOM 1308 OD1 ASN A 85 -2.473 7.140 -6.876 1.00 0.00 O ATOM 1309 ND2 ASN A 85 -1.090 8.161 -5.468 1.00 0.00 N ATOM 0 H ASN A 85 -3.188 9.650 -4.151 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.909 7.894 -5.565 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.616 7.390 -3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.394 6.152 -4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.413 8.340 -6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -0.897 8.473 -4.516 1.00 0.00 H new ATOM 1316 N VAL A 86 -5.063 7.760 -2.224 1.00 0.00 N ATOM 1317 CA VAL A 86 -5.939 7.352 -1.129 1.00 0.00 C ATOM 1318 C VAL A 86 -7.303 8.050 -1.222 1.00 0.00 C ATOM 1319 O VAL A 86 -8.321 7.417 -0.941 1.00 0.00 O ATOM 1320 CB VAL A 86 -5.210 7.513 0.225 1.00 0.00 C ATOM 1321 CG1 VAL A 86 -4.813 8.949 0.558 1.00 0.00 C ATOM 1322 CG2 VAL A 86 -5.960 6.879 1.402 1.00 0.00 C ATOM 0 H VAL A 86 -4.203 8.220 -1.926 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.170 6.290 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.285 6.955 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.308 8.972 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.142 9.329 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.706 9.573 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.391 7.030 2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.940 7.345 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.082 5.811 1.223 1.00 0.00 H new ATOM 1332 N LEU A 87 -7.351 9.308 -1.679 1.00 0.00 N ATOM 1333 CA LEU A 87 -8.597 10.070 -1.809 1.00 0.00 C ATOM 1334 C LEU A 87 -9.518 9.432 -2.843 1.00 0.00 C ATOM 1335 O LEU A 87 -10.731 9.396 -2.646 1.00 0.00 O ATOM 1336 CB LEU A 87 -8.297 11.544 -2.145 1.00 0.00 C ATOM 1337 CG LEU A 87 -7.646 12.310 -0.972 1.00 0.00 C ATOM 1338 CD1 LEU A 87 -7.032 13.638 -1.433 1.00 0.00 C ATOM 1339 CD2 LEU A 87 -8.644 12.619 0.145 1.00 0.00 C ATOM 0 H LEU A 87 -6.522 9.827 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.119 10.048 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.636 11.586 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.224 12.043 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.867 11.649 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.584 14.147 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.265 13.443 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.810 14.268 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.138 13.158 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.454 13.232 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.052 11.687 0.536 1.00 0.00 H new ATOM 1351 N ALA A 88 -8.956 8.854 -3.902 1.00 0.00 N ATOM 1352 CA ALA A 88 -9.728 8.085 -4.862 1.00 0.00 C ATOM 1353 C ALA A 88 -10.254 6.786 -4.248 1.00 0.00 C ATOM 1354 O ALA A 88 -11.402 6.397 -4.469 1.00 0.00 O ATOM 1355 CB ALA A 88 -8.834 7.794 -6.059 1.00 0.00 C ATOM 0 H ALA A 88 -7.960 8.907 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.601 8.660 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -9.391 7.216 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.506 8.733 -6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.964 7.224 -5.733 1.00 0.00 H new ATOM 1361 N LEU A 89 -9.434 6.110 -3.440 1.00 0.00 N ATOM 1362 CA LEU A 89 -9.803 4.867 -2.777 1.00 0.00 C ATOM 1363 C LEU A 89 -10.944 5.094 -1.795 1.00 0.00 C ATOM 1364 O LEU A 89 -11.717 4.165 -1.548 1.00 0.00 O ATOM 1365 CB LEU A 89 -8.584 4.271 -2.057 1.00 0.00 C ATOM 1366 CG LEU A 89 -7.780 3.216 -2.828 1.00 0.00 C ATOM 1367 CD1 LEU A 89 -8.438 1.850 -2.671 1.00 0.00 C ATOM 1368 CD2 LEU A 89 -7.547 3.561 -4.296 1.00 0.00 C ATOM 0 H LEU A 89 -8.485 6.418 -3.228 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.145 4.161 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.911 5.087 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.925 3.824 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.784 3.194 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.863 1.104 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.468 1.580 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.454 1.888 -3.065 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.972 2.766 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.507 3.666 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.996 4.499 -4.366 1.00 0.00 H new ATOM 1380 N ARG A 90 -11.097 6.312 -1.264 1.00 0.00 N ATOM 1381 CA ARG A 90 -12.262 6.642 -0.467 1.00 0.00 C ATOM 1382 C ARG A 90 -13.538 6.477 -1.288 1.00 0.00 C ATOM 1383 O ARG A 90 -14.445 5.781 -0.841 1.00 0.00 O ATOM 1384 CB ARG A 90 -12.208 8.062 0.079 1.00 0.00 C ATOM 1385 CG ARG A 90 -11.158 8.385 1.137 1.00 0.00 C ATOM 1386 CD ARG A 90 -11.293 9.834 1.630 1.00 0.00 C ATOM 1387 NE ARG A 90 -12.553 10.052 2.367 1.00 0.00 N ATOM 1388 CZ ARG A 90 -13.724 10.363 1.807 1.00 0.00 C ATOM 1389 NH1 ARG A 90 -13.777 10.859 0.574 1.00 0.00 N ATOM 1390 NH2 ARG A 90 -14.846 10.184 2.486 1.00 0.00 N ATOM 0 H ARG A 90 -10.429 7.074 -1.376 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.266 5.951 0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.052 8.737 -0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.187 8.296 0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.264 7.700 1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.162 8.230 0.723 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.449 10.078 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.249 10.512 0.778 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.527 9.958 3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.917 11.005 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.678 11.093 0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.814 9.809 3.434 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.743 10.421 2.061 1.00 0.00 H new ATOM 1404 N THR A 91 -13.618 7.063 -2.490 1.00 0.00 N ATOM 1405 CA THR A 91 -14.764 6.881 -3.383 1.00 0.00 C ATOM 1406 C THR A 91 -15.079 5.392 -3.540 1.00 0.00 C ATOM 1407 O THR A 91 -16.235 4.983 -3.422 1.00 0.00 O ATOM 1408 CB THR A 91 -14.488 7.562 -4.736 1.00 0.00 C ATOM 1409 OG1 THR A 91 -14.308 8.949 -4.526 1.00 0.00 O ATOM 1410 CG2 THR A 91 -15.612 7.371 -5.761 1.00 0.00 C ATOM 0 H THR A 91 -12.893 7.673 -2.867 1.00 0.00 H new ATOM 0 HA THR A 91 -15.645 7.355 -2.950 1.00 0.00 H new ATOM 0 HB THR A 91 -13.594 7.091 -5.144 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.130 9.389 -5.383 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.348 7.878 -6.689 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.751 6.307 -5.955 1.00 0.00 H new ATOM 0 HG23 THR A 91 -16.538 7.792 -5.369 1.00 0.00 H new ATOM 1418 N ILE A 92 -14.059 4.564 -3.761 1.00 0.00 N ATOM 1419 CA ILE A 92 -14.253 3.141 -3.958 1.00 0.00 C ATOM 1420 C ILE A 92 -14.814 2.481 -2.696 1.00 0.00 C ATOM 1421 O ILE A 92 -15.586 1.535 -2.799 1.00 0.00 O ATOM 1422 CB ILE A 92 -12.926 2.504 -4.400 1.00 0.00 C ATOM 1423 CG1 ILE A 92 -12.358 3.200 -5.655 1.00 0.00 C ATOM 1424 CG2 ILE A 92 -13.119 1.017 -4.699 1.00 0.00 C ATOM 1425 CD1 ILE A 92 -10.953 2.718 -6.002 1.00 0.00 C ATOM 0 H ILE A 92 -13.085 4.864 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 92 -14.991 2.982 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 92 -12.219 2.626 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -13.021 3.016 -6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -12.340 4.278 -5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -12.169 0.582 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -13.474 0.509 -3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -13.851 0.899 -5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.599 3.238 -6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -10.281 2.926 -5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -10.973 1.645 -6.193 1.00 0.00 H new ATOM 1437 N GLN A 93 -14.461 2.957 -1.502 1.00 0.00 N ATOM 1438 CA GLN A 93 -15.000 2.421 -0.265 1.00 0.00 C ATOM 1439 C GLN A 93 -16.500 2.681 -0.153 1.00 0.00 C ATOM 1440 O GLN A 93 -17.231 1.797 0.289 1.00 0.00 O ATOM 1441 CB GLN A 93 -14.247 3.043 0.916 1.00 0.00 C ATOM 1442 CG GLN A 93 -14.602 2.395 2.256 1.00 0.00 C ATOM 1443 CD GLN A 93 -14.231 0.916 2.377 1.00 0.00 C ATOM 1444 OE1 GLN A 93 -13.268 0.408 1.623 1.00 0.00 O flip ATOM 1445 NE2 GLN A 93 -14.800 0.187 3.180 1.00 0.00 N flip ATOM 0 H GLN A 93 -13.797 3.720 -1.372 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.863 1.340 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -13.174 2.950 0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -14.471 4.109 0.963 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -14.102 2.946 3.053 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -15.674 2.500 2.420 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -15.544 0.560 3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.530 -0.793 3.259 1.00 0.00 H new ATOM 1454 N VAL A 94 -16.973 3.864 -0.544 1.00 0.00 N ATOM 1455 CA VAL A 94 -18.407 4.158 -0.529 1.00 0.00 C ATOM 1456 C VAL A 94 -19.102 3.241 -1.548 1.00 0.00 C ATOM 1457 O VAL A 94 -20.178 2.698 -1.287 1.00 0.00 O ATOM 1458 CB VAL A 94 -18.686 5.678 -0.699 1.00 0.00 C ATOM 1459 CG1 VAL A 94 -17.467 6.560 -0.371 1.00 0.00 C ATOM 1460 CG2 VAL A 94 -19.205 6.105 -2.080 1.00 0.00 C ATOM 0 H VAL A 94 -16.388 4.632 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 94 -18.840 3.934 0.446 1.00 0.00 H new ATOM 0 HB VAL A 94 -19.483 5.838 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.729 7.609 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.166 6.395 0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.642 6.301 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.367 7.183 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -18.472 5.840 -2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -20.145 5.595 -2.289 1.00 0.00 H new ATOM 1470 N ARG A 95 -18.427 2.985 -2.674 1.00 0.00 N ATOM 1471 CA ARG A 95 -18.795 2.012 -3.696 1.00 0.00 C ATOM 1472 C ARG A 95 -18.317 0.600 -3.317 1.00 0.00 C ATOM 1473 O ARG A 95 -17.933 -0.177 -4.191 1.00 0.00 O ATOM 1474 CB ARG A 95 -18.255 2.481 -5.062 1.00 0.00 C ATOM 1475 CG ARG A 95 -18.731 3.897 -5.453 1.00 0.00 C ATOM 1476 CD ARG A 95 -19.287 3.974 -6.875 1.00 0.00 C ATOM 1477 NE ARG A 95 -20.617 3.343 -7.004 1.00 0.00 N ATOM 1478 CZ ARG A 95 -21.793 3.979 -7.133 1.00 0.00 C ATOM 1479 NH1 ARG A 95 -21.912 5.280 -6.893 1.00 0.00 N ATOM 1480 NH2 ARG A 95 -22.862 3.310 -7.547 1.00 0.00 N ATOM 0 H ARG A 95 -17.565 3.479 -2.904 1.00 0.00 H new ATOM 0 HA ARG A 95 -19.881 1.949 -3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -17.165 2.465 -5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -18.568 1.775 -5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -19.499 4.222 -4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.897 4.593 -5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -19.355 5.019 -7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -18.591 3.488 -7.559 1.00 0.00 H new ATOM 0 HE ARG A 95 -20.645 2.323 -6.994 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -21.098 5.822 -6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -22.818 5.737 -6.999 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -22.789 2.316 -7.766 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -23.757 3.789 -7.646 1.00 0.00 H new ATOM 1494 N SER A 96 -18.290 0.266 -2.024 1.00 0.00 N ATOM 1495 CA SER A 96 -18.050 -1.080 -1.507 1.00 0.00 C ATOM 1496 C SER A 96 -19.234 -1.518 -0.629 1.00 0.00 C ATOM 1497 O SER A 96 -19.412 -2.718 -0.394 1.00 0.00 O ATOM 1498 CB SER A 96 -16.710 -1.108 -0.751 1.00 0.00 C ATOM 1499 OG SER A 96 -16.211 -2.417 -0.525 1.00 0.00 O ATOM 0 H SER A 96 -18.440 0.951 -1.284 1.00 0.00 H new ATOM 0 HA SER A 96 -17.977 -1.795 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 96 -15.972 -0.540 -1.317 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.833 -0.605 0.208 1.00 0.00 H new ATOM 0 HG SER A 96 -16.960 -3.035 -0.393 1.00 0.00 H new ATOM 1505 N GLY A 97 -20.072 -0.580 -0.173 1.00 0.00 N ATOM 1506 CA GLY A 97 -21.254 -0.823 0.637 1.00 0.00 C ATOM 1507 C GLY A 97 -21.628 0.438 1.413 1.00 0.00 C ATOM 1508 O GLY A 97 -20.965 1.466 1.260 1.00 0.00 O ATOM 0 H GLY A 97 -19.932 0.411 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -22.085 -1.127 -0.000 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -21.067 -1.643 1.330 1.00 0.00 H new ATOM 1512 N PRO A 98 -22.689 0.392 2.233 1.00 0.00 N ATOM 1513 CA PRO A 98 -23.168 1.545 2.978 1.00 0.00 C ATOM 1514 C PRO A 98 -22.156 1.894 4.070 1.00 0.00 C ATOM 1515 O PRO A 98 -22.095 1.234 5.109 1.00 0.00 O ATOM 1516 CB PRO A 98 -24.545 1.143 3.519 1.00 0.00 C ATOM 1517 CG PRO A 98 -24.470 -0.381 3.619 1.00 0.00 C ATOM 1518 CD PRO A 98 -23.516 -0.777 2.492 1.00 0.00 C ATOM 0 HA PRO A 98 -23.269 2.446 2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -24.741 1.598 4.490 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -25.345 1.461 2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -24.094 -0.700 4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -25.451 -0.839 3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -22.904 -1.631 2.782 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -24.068 -1.069 1.599 1.00 0.00 H new ATOM 1526 N SER A 99 -21.317 2.894 3.821 1.00 0.00 N ATOM 1527 CA SER A 99 -20.438 3.611 4.740 1.00 0.00 C ATOM 1528 C SER A 99 -19.989 4.891 4.015 1.00 0.00 C ATOM 1529 O SER A 99 -20.172 4.993 2.797 1.00 0.00 O ATOM 1530 CB SER A 99 -19.226 2.736 5.096 1.00 0.00 C ATOM 1531 OG SER A 99 -19.618 1.635 5.900 1.00 0.00 O ATOM 0 H SER A 99 -21.226 3.260 2.873 1.00 0.00 H new ATOM 0 HA SER A 99 -20.950 3.855 5.671 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.752 2.375 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 99 -18.484 3.333 5.626 1.00 0.00 H new ATOM 0 HG SER A 99 -20.595 1.618 5.977 1.00 0.00 H new ATOM 1537 N SER A 100 -19.363 5.833 4.728 1.00 0.00 N ATOM 1538 CA SER A 100 -18.797 7.062 4.172 1.00 0.00 C ATOM 1539 C SER A 100 -19.855 7.888 3.432 1.00 0.00 C ATOM 1540 O SER A 100 -19.927 7.873 2.201 1.00 0.00 O ATOM 1541 CB SER A 100 -17.580 6.698 3.308 1.00 0.00 C ATOM 1542 OG SER A 100 -16.748 7.812 3.038 1.00 0.00 O ATOM 0 H SER A 100 -19.233 5.757 5.737 1.00 0.00 H new ATOM 0 HA SER A 100 -18.453 7.712 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 100 -16.997 5.929 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 100 -17.923 6.269 2.366 1.00 0.00 H new ATOM 0 HG SER A 100 -15.989 7.527 2.487 1.00 0.00 H new ATOM 1548 N GLY A 101 -20.660 8.640 4.182 1.00 0.00 N ATOM 1549 CA GLY A 101 -21.635 9.571 3.634 1.00 0.00 C ATOM 1550 C GLY A 101 -21.509 10.889 4.360 1.00 0.00 C ATOM 1551 O GLY A 101 -20.420 11.500 4.287 1.00 0.00 O ATOM 0 H GLY A 101 -20.650 8.616 5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -21.466 9.710 2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -22.643 9.172 3.747 1.00 0.00 H new TER 1555 GLY A 101