USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 652 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 84 HIS : no HD1:sc= -0.07 K(o=-1.6,f=-2.1) USER MOD Set 1.2: A 88 THR OG1 : rot -84:sc= -1.5 USER MOD Set 2.1: A 5 HIS : no HE2:sc= -14.7! C(o=-36!,f=-38!) USER MOD Set 2.2: A 86 GLN : amide:sc= -21.6! C(o=-36!,f=-48!) USER MOD Single : A 6 HIS : no HD1:sc= -0.383 X(o=-0.38,f=0.093) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 31:sc= -4.96! USER MOD Single : A 12 ASN : amide:sc= -0.73 K(o=-0.73,f=-6.3!) USER MOD Single : A 15 SER OG : rot -11:sc= 1.22 USER MOD Single : A 16 SER OG : rot -100:sc= -1.6 USER MOD Single : A 17 ASN : amide:sc=-0.00582 K(o=-0.0058,f=-1.5!) USER MOD Single : A 19 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.057) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.677 K(o=-0.68,f=-2.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 86:sc= 0.101 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -2.18! USER MOD Single : A 47 SER OG : rot -160:sc= -0.67 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.975 K(o=-0.97,f=-4.1!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.0051) USER MOD Single : A 77 SER OG : rot 34:sc= 0.0523 USER MOD Single : A 79 LYS NZ :NH3+ -156:sc= -0.236 (180deg=-1.13!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 89 SER OG : rot 180:sc= -1.97 USER MOD Single : A 92 GLN : amide:sc= -0.0143 X(o=-0.014,f=-0.014) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.205 K(o=-0.21,f=-0.76) USER MOD Single : A 96 SER OG : rot 71:sc= 0.0772 USER MOD Single : A 98 ASN : amide:sc= -8.72! C(o=-8.7!,f=-15!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 93.921 -1.368 -13.968 1.00 0.00 N ATOM 31 CA LEU A 3 93.551 -1.344 -12.524 1.00 0.00 C ATOM 32 C LEU A 3 92.190 -2.028 -12.330 1.00 0.00 C ATOM 33 O LEU A 3 91.231 -1.715 -13.004 1.00 0.00 O ATOM 34 CB LEU A 3 93.471 0.107 -12.038 1.00 0.00 C ATOM 35 CG LEU A 3 94.863 0.740 -12.075 1.00 0.00 C ATOM 36 CD1 LEU A 3 94.771 2.207 -11.651 1.00 0.00 C ATOM 37 CD2 LEU A 3 95.790 -0.011 -11.118 1.00 0.00 C ATOM 0 HA LEU A 3 94.308 -1.876 -11.948 1.00 0.00 H new ATOM 0 HB2 LEU A 3 92.786 0.674 -12.668 1.00 0.00 H new ATOM 0 HB3 LEU A 3 93.073 0.140 -11.024 1.00 0.00 H new ATOM 0 HG LEU A 3 95.261 0.681 -13.088 1.00 0.00 H new ATOM 0 HD11 LEU A 3 95.764 2.656 -11.678 1.00 0.00 H new ATOM 0 HD12 LEU A 3 94.112 2.742 -12.334 1.00 0.00 H new ATOM 0 HD13 LEU A 3 94.372 2.269 -10.638 1.00 0.00 H new ATOM 0 HD21 LEU A 3 96.782 0.440 -11.144 1.00 0.00 H new ATOM 0 HD22 LEU A 3 95.392 0.047 -10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 3 95.858 -1.056 -11.422 1.00 0.00 H new ATOM 49 N PRO A 4 92.102 -2.954 -11.408 1.00 0.00 N ATOM 50 CA PRO A 4 90.836 -3.695 -11.130 1.00 0.00 C ATOM 51 C PRO A 4 89.775 -2.797 -10.488 1.00 0.00 C ATOM 52 O PRO A 4 88.659 -3.213 -10.233 1.00 0.00 O ATOM 53 CB PRO A 4 91.263 -4.812 -10.180 1.00 0.00 C ATOM 54 CG PRO A 4 92.499 -4.312 -9.516 1.00 0.00 C ATOM 55 CD PRO A 4 93.194 -3.399 -10.523 1.00 0.00 C ATOM 0 HA PRO A 4 90.372 -4.070 -12.042 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.483 -5.026 -9.449 1.00 0.00 H new ATOM 0 HB3 PRO A 4 91.455 -5.738 -10.722 1.00 0.00 H new ATOM 0 HG2 PRO A 4 92.256 -3.768 -8.603 1.00 0.00 H new ATOM 0 HG3 PRO A 4 93.148 -5.140 -9.231 1.00 0.00 H new ATOM 0 HD2 PRO A 4 93.678 -2.556 -10.030 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.967 -3.931 -11.078 1.00 0.00 H new ATOM 63 N HIS A 5 90.105 -1.563 -10.228 1.00 0.00 N ATOM 64 CA HIS A 5 89.103 -0.653 -9.615 1.00 0.00 C ATOM 65 C HIS A 5 87.986 -0.380 -10.614 1.00 0.00 C ATOM 66 O HIS A 5 86.873 -0.071 -10.242 1.00 0.00 O ATOM 67 CB HIS A 5 89.763 0.656 -9.196 1.00 0.00 C ATOM 68 CG HIS A 5 90.149 0.554 -7.749 1.00 0.00 C ATOM 69 ND1 HIS A 5 91.420 0.186 -7.345 1.00 0.00 N ATOM 70 CD2 HIS A 5 89.428 0.747 -6.598 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.427 0.165 -5.999 1.00 0.00 C ATOM 72 NE2 HIS A 5 90.237 0.500 -5.493 1.00 0.00 N ATOM 0 H HIS A 5 91.019 -1.149 -10.412 1.00 0.00 H new ATOM 0 HA HIS A 5 88.685 -1.129 -8.728 1.00 0.00 H new ATOM 0 HB2 HIS A 5 90.643 0.850 -9.810 1.00 0.00 H new ATOM 0 HB3 HIS A 5 89.078 1.491 -9.347 1.00 0.00 H new ATOM 0 HD1 HIS A 5 92.208 -0.030 -7.956 1.00 0.00 H new ATOM 0 HD2 HIS A 5 88.391 1.045 -6.556 1.00 0.00 H new ATOM 0 HE1 HIS A 5 92.289 -0.091 -5.401 1.00 0.00 H new ATOM 80 N HIS A 6 88.260 -0.508 -11.880 1.00 0.00 N ATOM 81 CA HIS A 6 87.192 -0.270 -12.884 1.00 0.00 C ATOM 82 C HIS A 6 86.039 -1.230 -12.589 1.00 0.00 C ATOM 83 O HIS A 6 84.888 -0.932 -12.839 1.00 0.00 O ATOM 84 CB HIS A 6 87.735 -0.517 -14.294 1.00 0.00 C ATOM 85 CG HIS A 6 88.683 0.590 -14.675 1.00 0.00 C ATOM 86 ND1 HIS A 6 88.236 1.829 -15.105 1.00 0.00 N ATOM 87 CD2 HIS A 6 90.055 0.658 -14.709 1.00 0.00 C ATOM 88 CE1 HIS A 6 89.317 2.581 -15.377 1.00 0.00 C ATOM 89 NE2 HIS A 6 90.452 1.916 -15.153 1.00 0.00 N ATOM 0 H HIS A 6 89.171 -0.765 -12.260 1.00 0.00 H new ATOM 0 HA HIS A 6 86.845 0.762 -12.828 1.00 0.00 H new ATOM 0 HB2 HIS A 6 88.248 -1.478 -14.333 1.00 0.00 H new ATOM 0 HB3 HIS A 6 86.912 -0.566 -15.007 1.00 0.00 H new ATOM 0 HD2 HIS A 6 90.724 -0.144 -14.433 1.00 0.00 H new ATOM 0 HE1 HIS A 6 89.272 3.599 -15.733 1.00 0.00 H new ATOM 0 HE2 HIS A 6 91.405 2.256 -15.280 1.00 0.00 H new ATOM 97 N ASP A 7 86.345 -2.377 -12.041 1.00 0.00 N ATOM 98 CA ASP A 7 85.282 -3.360 -11.702 1.00 0.00 C ATOM 99 C ASP A 7 84.789 -3.068 -10.282 1.00 0.00 C ATOM 100 O ASP A 7 85.552 -3.063 -9.337 1.00 0.00 O ATOM 101 CB ASP A 7 85.861 -4.773 -11.783 1.00 0.00 C ATOM 102 CG ASP A 7 86.140 -5.115 -13.249 1.00 0.00 C ATOM 103 OD1 ASP A 7 85.542 -4.486 -14.108 1.00 0.00 O ATOM 104 OD2 ASP A 7 86.946 -6.001 -13.491 1.00 0.00 O ATOM 0 H ASP A 7 87.294 -2.674 -11.813 1.00 0.00 H new ATOM 0 HA ASP A 7 84.449 -3.282 -12.400 1.00 0.00 H new ATOM 0 HB2 ASP A 7 86.780 -4.837 -11.200 1.00 0.00 H new ATOM 0 HB3 ASP A 7 85.162 -5.491 -11.355 1.00 0.00 H new ATOM 109 N GLU A 8 83.521 -2.804 -10.125 1.00 0.00 N ATOM 110 CA GLU A 8 82.984 -2.482 -8.777 1.00 0.00 C ATOM 111 C GLU A 8 83.005 -3.738 -7.903 1.00 0.00 C ATOM 112 O GLU A 8 83.218 -3.677 -6.708 1.00 0.00 O ATOM 113 CB GLU A 8 81.549 -1.966 -8.930 1.00 0.00 C ATOM 114 CG GLU A 8 81.160 -1.161 -7.691 1.00 0.00 C ATOM 115 CD GLU A 8 79.681 -0.774 -7.776 1.00 0.00 C ATOM 116 OE1 GLU A 8 79.064 -1.094 -8.779 1.00 0.00 O ATOM 117 OE2 GLU A 8 79.190 -0.166 -6.840 1.00 0.00 O ATOM 0 H GLU A 8 82.832 -2.798 -10.877 1.00 0.00 H new ATOM 0 HA GLU A 8 83.597 -1.717 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 8 81.469 -1.343 -9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.863 -2.803 -9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 8 81.342 -1.748 -6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.777 -0.266 -7.618 1.00 0.00 H new ATOM 124 N LYS A 9 82.778 -4.872 -8.494 1.00 0.00 N ATOM 125 CA LYS A 9 82.769 -6.140 -7.715 1.00 0.00 C ATOM 126 C LYS A 9 84.171 -6.459 -7.167 1.00 0.00 C ATOM 127 O LYS A 9 84.315 -7.188 -6.206 1.00 0.00 O ATOM 128 CB LYS A 9 82.307 -7.258 -8.645 1.00 0.00 C ATOM 129 CG LYS A 9 83.299 -7.389 -9.805 1.00 0.00 C ATOM 130 CD LYS A 9 82.539 -7.368 -11.129 1.00 0.00 C ATOM 131 CE LYS A 9 82.111 -5.933 -11.447 1.00 0.00 C ATOM 132 NZ LYS A 9 81.553 -5.877 -12.828 1.00 0.00 N ATOM 0 H LYS A 9 82.596 -4.978 -9.492 1.00 0.00 H new ATOM 0 HA LYS A 9 82.095 -6.044 -6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 9 82.242 -8.199 -8.098 1.00 0.00 H new ATOM 0 HB3 LYS A 9 81.309 -7.041 -9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 9 84.021 -6.573 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 9 83.863 -8.317 -9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 9 83.169 -7.757 -11.929 1.00 0.00 H new ATOM 0 HD3 LYS A 9 81.664 -8.015 -11.069 1.00 0.00 H new ATOM 0 HE2 LYS A 9 81.365 -5.597 -10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 9 82.964 -5.260 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 81.262 -4.903 -13.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 82.278 -6.182 -13.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 80.729 -6.508 -12.895 1.00 0.00 H new ATOM 146 N THR A 10 85.203 -5.920 -7.757 1.00 0.00 N ATOM 147 CA THR A 10 86.582 -6.201 -7.248 1.00 0.00 C ATOM 148 C THR A 10 86.740 -5.644 -5.829 1.00 0.00 C ATOM 149 O THR A 10 87.418 -6.221 -4.997 1.00 0.00 O ATOM 150 CB THR A 10 87.625 -5.566 -8.178 1.00 0.00 C ATOM 151 OG1 THR A 10 87.211 -4.258 -8.531 1.00 0.00 O ATOM 152 CG2 THR A 10 87.776 -6.415 -9.440 1.00 0.00 C ATOM 0 H THR A 10 85.155 -5.300 -8.565 1.00 0.00 H new ATOM 0 HA THR A 10 86.737 -7.280 -7.226 1.00 0.00 H new ATOM 0 HB THR A 10 88.584 -5.516 -7.663 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.687 -3.872 -7.798 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.517 -5.961 -10.098 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.100 -7.419 -9.166 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.818 -6.471 -9.957 1.00 0.00 H new ATOM 160 N TRP A 11 86.127 -4.531 -5.539 1.00 0.00 N ATOM 161 CA TRP A 11 86.254 -3.955 -4.173 1.00 0.00 C ATOM 162 C TRP A 11 84.889 -3.941 -3.476 1.00 0.00 C ATOM 163 O TRP A 11 84.795 -4.106 -2.278 1.00 0.00 O ATOM 164 CB TRP A 11 86.798 -2.529 -4.268 1.00 0.00 C ATOM 165 CG TRP A 11 86.542 -1.969 -5.632 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.161 -2.370 -6.765 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.622 -0.914 -6.019 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.679 -1.631 -7.829 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.726 -0.707 -7.416 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.714 -0.123 -5.295 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.954 0.265 -8.067 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.938 0.848 -5.945 1.00 0.00 C ATOM 173 CH2 TRP A 11 84.058 1.042 -7.328 1.00 0.00 C ATOM 0 H TRP A 11 85.546 -3.998 -6.186 1.00 0.00 H new ATOM 0 HA TRP A 11 86.941 -4.569 -3.591 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.325 -1.900 -3.514 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.868 -2.525 -4.060 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.912 -3.144 -6.829 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.984 -1.749 -8.795 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.613 -0.264 -4.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 85.051 0.412 -9.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 83.244 1.450 -5.377 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.458 1.792 -7.822 1.00 0.00 H new ATOM 184 N ASN A 12 83.832 -3.732 -4.212 1.00 0.00 N ATOM 185 CA ASN A 12 82.483 -3.691 -3.576 1.00 0.00 C ATOM 186 C ASN A 12 81.880 -5.093 -3.507 1.00 0.00 C ATOM 187 O ASN A 12 81.762 -5.785 -4.500 1.00 0.00 O ATOM 188 CB ASN A 12 81.564 -2.781 -4.383 1.00 0.00 C ATOM 189 CG ASN A 12 80.280 -2.514 -3.594 1.00 0.00 C ATOM 190 OD1 ASN A 12 79.612 -3.434 -3.167 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.901 -1.283 -3.379 1.00 0.00 N ATOM 0 H ASN A 12 83.843 -3.588 -5.222 1.00 0.00 H new ATOM 0 HA ASN A 12 82.587 -3.303 -2.563 1.00 0.00 H new ATOM 0 HB2 ASN A 12 82.069 -1.841 -4.603 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.325 -3.246 -5.339 1.00 0.00 H new ATOM 0 HD21 ASN A 12 79.047 -1.097 -2.854 1.00 0.00 H new ATOM 0 HD22 ASN A 12 80.459 -0.508 -3.736 1.00 0.00 H new ATOM 198 N VAL A 13 81.490 -5.504 -2.332 1.00 0.00 N ATOM 199 CA VAL A 13 80.881 -6.852 -2.163 1.00 0.00 C ATOM 200 C VAL A 13 79.380 -6.702 -1.879 1.00 0.00 C ATOM 201 O VAL A 13 78.628 -7.654 -1.941 1.00 0.00 O ATOM 202 CB VAL A 13 81.561 -7.561 -0.989 1.00 0.00 C ATOM 203 CG1 VAL A 13 83.066 -7.654 -1.248 1.00 0.00 C ATOM 204 CG2 VAL A 13 81.316 -6.763 0.295 1.00 0.00 C ATOM 0 H VAL A 13 81.568 -4.958 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 13 81.016 -7.438 -3.072 1.00 0.00 H new ATOM 0 HB VAL A 13 81.149 -8.564 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 13 83.549 -8.159 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.243 -8.218 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.480 -6.651 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.799 -7.265 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 13 81.730 -5.761 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 13 80.244 -6.694 0.482 1.00 0.00 H new ATOM 214 N GLY A 14 78.938 -5.511 -1.571 1.00 0.00 N ATOM 215 CA GLY A 14 77.486 -5.302 -1.288 1.00 0.00 C ATOM 216 C GLY A 14 77.203 -5.572 0.191 1.00 0.00 C ATOM 217 O GLY A 14 78.088 -5.532 1.025 1.00 0.00 O ATOM 0 H GLY A 14 79.518 -4.675 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 14 77.200 -4.281 -1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 14 76.885 -5.966 -1.910 1.00 0.00 H new ATOM 221 N SER A 15 75.976 -5.855 0.523 1.00 0.00 N ATOM 222 CA SER A 15 75.644 -6.138 1.944 1.00 0.00 C ATOM 223 C SER A 15 76.430 -7.369 2.390 1.00 0.00 C ATOM 224 O SER A 15 76.717 -8.250 1.602 1.00 0.00 O ATOM 225 CB SER A 15 74.144 -6.404 2.082 1.00 0.00 C ATOM 226 OG SER A 15 73.429 -5.220 1.751 1.00 0.00 O ATOM 0 H SER A 15 75.191 -5.902 -0.127 1.00 0.00 H new ATOM 0 HA SER A 15 75.907 -5.282 2.566 1.00 0.00 H new ATOM 0 HB2 SER A 15 73.845 -7.220 1.424 1.00 0.00 H new ATOM 0 HB3 SER A 15 73.909 -6.713 3.101 1.00 0.00 H new ATOM 0 HG SER A 15 74.055 -4.469 1.680 1.00 0.00 H new ATOM 232 N SER A 16 76.795 -7.432 3.637 1.00 0.00 N ATOM 233 CA SER A 16 77.576 -8.600 4.127 1.00 0.00 C ATOM 234 C SER A 16 77.634 -8.566 5.658 1.00 0.00 C ATOM 235 O SER A 16 77.292 -7.581 6.280 1.00 0.00 O ATOM 236 CB SER A 16 78.993 -8.532 3.556 1.00 0.00 C ATOM 237 OG SER A 16 79.765 -9.604 4.079 1.00 0.00 O ATOM 0 H SER A 16 76.586 -6.724 4.341 1.00 0.00 H new ATOM 0 HA SER A 16 77.098 -9.525 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 16 78.961 -8.589 2.468 1.00 0.00 H new ATOM 0 HB3 SER A 16 79.455 -7.578 3.812 1.00 0.00 H new ATOM 0 HG SER A 16 80.327 -9.275 4.812 1.00 0.00 H new ATOM 243 N ASN A 17 78.062 -9.636 6.268 1.00 0.00 N ATOM 244 CA ASN A 17 78.141 -9.673 7.754 1.00 0.00 C ATOM 245 C ASN A 17 79.511 -9.152 8.201 1.00 0.00 C ATOM 246 O ASN A 17 80.528 -9.512 7.645 1.00 0.00 O ATOM 247 CB ASN A 17 77.958 -11.121 8.228 1.00 0.00 C ATOM 248 CG ASN A 17 76.553 -11.605 7.853 1.00 0.00 C ATOM 249 OD1 ASN A 17 75.656 -10.809 7.668 1.00 0.00 O ATOM 250 ND2 ASN A 17 76.321 -12.885 7.733 1.00 0.00 N ATOM 0 H ASN A 17 78.362 -10.490 5.798 1.00 0.00 H new ATOM 0 HA ASN A 17 77.360 -9.047 8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 17 78.710 -11.763 7.770 1.00 0.00 H new ATOM 0 HB3 ASN A 17 78.100 -11.183 9.307 1.00 0.00 H new ATOM 0 HD21 ASN A 17 75.388 -13.213 7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 17 77.073 -13.556 7.888 1.00 0.00 H new ATOM 257 N ARG A 18 79.554 -8.301 9.188 1.00 0.00 N ATOM 258 CA ARG A 18 80.869 -7.763 9.645 1.00 0.00 C ATOM 259 C ARG A 18 81.777 -8.906 10.114 1.00 0.00 C ATOM 260 O ARG A 18 82.979 -8.862 9.937 1.00 0.00 O ATOM 261 CB ARG A 18 80.662 -6.774 10.793 1.00 0.00 C ATOM 262 CG ARG A 18 80.165 -5.438 10.237 1.00 0.00 C ATOM 263 CD ARG A 18 79.880 -4.485 11.397 1.00 0.00 C ATOM 264 NE ARG A 18 79.462 -3.143 10.868 1.00 0.00 N ATOM 265 CZ ARG A 18 80.225 -2.460 10.056 1.00 0.00 C ATOM 266 NH1 ARG A 18 81.441 -2.863 9.793 1.00 0.00 N ATOM 267 NH2 ARG A 18 79.785 -1.347 9.537 1.00 0.00 N ATOM 0 H ARG A 18 78.740 -7.955 9.697 1.00 0.00 H new ATOM 0 HA ARG A 18 81.342 -7.250 8.808 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.940 -7.174 11.505 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.597 -6.629 11.334 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.913 -5.007 9.572 1.00 0.00 H new ATOM 0 HG3 ARG A 18 79.262 -5.590 9.645 1.00 0.00 H new ATOM 0 HD2 ARG A 18 79.095 -4.896 12.031 1.00 0.00 H new ATOM 0 HD3 ARG A 18 80.769 -4.379 12.019 1.00 0.00 H new ATOM 0 HE ARG A 18 78.561 -2.755 11.149 1.00 0.00 H new ATOM 0 HH11 ARG A 18 81.800 -3.716 10.223 1.00 0.00 H new ATOM 0 HH12 ARG A 18 82.031 -2.325 9.158 1.00 0.00 H new ATOM 0 HH21 ARG A 18 78.849 -1.013 9.765 1.00 0.00 H new ATOM 0 HH22 ARG A 18 80.377 -0.811 8.903 1.00 0.00 H new ATOM 281 N ASN A 19 81.222 -9.912 10.735 1.00 0.00 N ATOM 282 CA ASN A 19 82.067 -11.034 11.236 1.00 0.00 C ATOM 283 C ASN A 19 82.924 -11.625 10.111 1.00 0.00 C ATOM 284 O ASN A 19 84.113 -11.820 10.274 1.00 0.00 O ATOM 285 CB ASN A 19 81.166 -12.128 11.815 1.00 0.00 C ATOM 286 CG ASN A 19 80.532 -11.639 13.122 1.00 0.00 C ATOM 287 OD1 ASN A 19 79.486 -12.115 13.519 1.00 0.00 O ATOM 288 ND2 ASN A 19 81.122 -10.703 13.811 1.00 0.00 N ATOM 0 H ASN A 19 80.223 -10.005 10.917 1.00 0.00 H new ATOM 0 HA ASN A 19 82.732 -10.646 12.008 1.00 0.00 H new ATOM 0 HB2 ASN A 19 80.388 -12.389 11.098 1.00 0.00 H new ATOM 0 HB3 ASN A 19 81.747 -13.032 11.998 1.00 0.00 H new ATOM 0 HD21 ASN A 19 80.706 -10.371 14.681 1.00 0.00 H new ATOM 0 HD22 ASN A 19 82.000 -10.302 13.480 1.00 0.00 H new ATOM 295 N LYS A 20 82.356 -11.920 8.972 1.00 0.00 N ATOM 296 CA LYS A 20 83.195 -12.497 7.882 1.00 0.00 C ATOM 297 C LYS A 20 84.151 -11.422 7.356 1.00 0.00 C ATOM 298 O LYS A 20 85.214 -11.722 6.851 1.00 0.00 O ATOM 299 CB LYS A 20 82.322 -13.038 6.743 1.00 0.00 C ATOM 300 CG LYS A 20 81.704 -11.888 5.957 1.00 0.00 C ATOM 301 CD LYS A 20 80.951 -12.449 4.744 1.00 0.00 C ATOM 302 CE LYS A 20 79.828 -13.382 5.206 1.00 0.00 C ATOM 303 NZ LYS A 20 78.776 -13.444 4.151 1.00 0.00 N ATOM 0 H LYS A 20 81.369 -11.790 8.751 1.00 0.00 H new ATOM 0 HA LYS A 20 83.770 -13.331 8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 20 82.923 -13.659 6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.535 -13.674 7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 20 81.023 -11.323 6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.481 -11.197 5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 20 80.536 -11.632 4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 20 81.641 -12.991 4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 20 80.224 -14.379 5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 20 79.401 -13.021 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 78.011 -14.077 4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 78.392 -12.491 3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 79.190 -13.807 3.269 1.00 0.00 H new ATOM 317 N ALA A 21 83.790 -10.167 7.476 1.00 0.00 N ATOM 318 CA ALA A 21 84.699 -9.092 6.983 1.00 0.00 C ATOM 319 C ALA A 21 86.039 -9.241 7.692 1.00 0.00 C ATOM 320 O ALA A 21 87.088 -9.162 7.085 1.00 0.00 O ATOM 321 CB ALA A 21 84.110 -7.712 7.289 1.00 0.00 C ATOM 0 H ALA A 21 82.915 -9.846 7.890 1.00 0.00 H new ATOM 0 HA ALA A 21 84.823 -9.182 5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.785 -6.939 6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 21 83.143 -7.612 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.982 -7.602 8.366 1.00 0.00 H new ATOM 327 N GLU A 22 86.013 -9.483 8.973 1.00 0.00 N ATOM 328 CA GLU A 22 87.287 -9.665 9.709 1.00 0.00 C ATOM 329 C GLU A 22 88.016 -10.846 9.080 1.00 0.00 C ATOM 330 O GLU A 22 89.200 -10.796 8.818 1.00 0.00 O ATOM 331 CB GLU A 22 86.989 -9.968 11.176 1.00 0.00 C ATOM 332 CG GLU A 22 88.301 -10.084 11.949 1.00 0.00 C ATOM 333 CD GLU A 22 88.011 -10.559 13.372 1.00 0.00 C ATOM 334 OE1 GLU A 22 86.849 -10.768 13.680 1.00 0.00 O ATOM 335 OE2 GLU A 22 88.954 -10.704 14.129 1.00 0.00 O ATOM 0 H GLU A 22 85.167 -9.562 9.537 1.00 0.00 H new ATOM 0 HA GLU A 22 87.897 -8.764 9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 22 86.371 -9.178 11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 22 86.422 -10.896 11.259 1.00 0.00 H new ATOM 0 HG2 GLU A 22 88.970 -10.785 11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 22 88.809 -9.120 11.972 1.00 0.00 H new ATOM 342 N ASN A 23 87.296 -11.900 8.809 1.00 0.00 N ATOM 343 CA ASN A 23 87.911 -13.089 8.166 1.00 0.00 C ATOM 344 C ASN A 23 88.482 -12.670 6.815 1.00 0.00 C ATOM 345 O ASN A 23 89.616 -12.960 6.487 1.00 0.00 O ATOM 346 CB ASN A 23 86.838 -14.158 7.949 1.00 0.00 C ATOM 347 CG ASN A 23 86.380 -14.700 9.303 1.00 0.00 C ATOM 348 OD1 ASN A 23 85.199 -14.842 9.544 1.00 0.00 O ATOM 349 ND2 ASN A 23 87.272 -15.014 10.202 1.00 0.00 N ATOM 0 H ASN A 23 86.299 -11.986 9.008 1.00 0.00 H new ATOM 0 HA ASN A 23 88.701 -13.491 8.800 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.991 -13.735 7.409 1.00 0.00 H new ATOM 0 HB3 ASN A 23 87.234 -14.968 7.336 1.00 0.00 H new ATOM 0 HD21 ASN A 23 86.977 -15.379 11.108 1.00 0.00 H new ATOM 0 HD22 ASN A 23 88.264 -14.895 9.999 1.00 0.00 H new ATOM 356 N LEU A 24 87.703 -11.975 6.030 1.00 0.00 N ATOM 357 CA LEU A 24 88.207 -11.528 4.706 1.00 0.00 C ATOM 358 C LEU A 24 89.383 -10.573 4.930 1.00 0.00 C ATOM 359 O LEU A 24 90.347 -10.573 4.193 1.00 0.00 O ATOM 360 CB LEU A 24 87.087 -10.812 3.944 1.00 0.00 C ATOM 361 CG LEU A 24 85.954 -11.799 3.655 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.768 -11.050 3.041 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.438 -12.871 2.675 1.00 0.00 C ATOM 0 H LEU A 24 86.745 -11.700 6.249 1.00 0.00 H new ATOM 0 HA LEU A 24 88.535 -12.386 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.712 -9.973 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.473 -10.401 3.011 1.00 0.00 H new ATOM 0 HG LEU A 24 85.646 -12.273 4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 24 83.961 -11.753 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.418 -10.289 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 24 85.080 -10.574 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 24 85.628 -13.571 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 24 86.750 -12.398 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.281 -13.408 3.110 1.00 0.00 H new ATOM 375 N LEU A 25 89.314 -9.766 5.954 1.00 0.00 N ATOM 376 CA LEU A 25 90.433 -8.816 6.236 1.00 0.00 C ATOM 377 C LEU A 25 91.547 -9.550 6.994 1.00 0.00 C ATOM 378 O LEU A 25 92.590 -8.993 7.271 1.00 0.00 O ATOM 379 CB LEU A 25 89.904 -7.672 7.102 1.00 0.00 C ATOM 380 CG LEU A 25 88.958 -6.783 6.276 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.765 -6.334 7.123 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.711 -5.536 5.797 1.00 0.00 C ATOM 0 H LEU A 25 88.533 -9.722 6.608 1.00 0.00 H new ATOM 0 HA LEU A 25 90.829 -8.423 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 25 89.377 -8.073 7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.735 -7.078 7.483 1.00 0.00 H new ATOM 0 HG LEU A 25 88.601 -7.362 5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 25 87.107 -5.706 6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 25 87.215 -7.209 7.469 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.122 -5.767 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 25 89.039 -4.908 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 25 90.073 -4.976 6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.557 -5.837 5.179 1.00 0.00 H new ATOM 394 N ARG A 26 91.326 -10.792 7.341 1.00 0.00 N ATOM 395 CA ARG A 26 92.362 -11.565 8.091 1.00 0.00 C ATOM 396 C ARG A 26 93.268 -12.335 7.118 1.00 0.00 C ATOM 397 O ARG A 26 92.802 -13.022 6.229 1.00 0.00 O ATOM 398 CB ARG A 26 91.658 -12.539 9.053 1.00 0.00 C ATOM 399 CG ARG A 26 92.137 -13.979 8.818 1.00 0.00 C ATOM 400 CD ARG A 26 91.523 -14.902 9.875 1.00 0.00 C ATOM 401 NE ARG A 26 92.007 -14.504 11.226 1.00 0.00 N ATOM 402 CZ ARG A 26 91.372 -14.915 12.289 1.00 0.00 C ATOM 403 NH1 ARG A 26 90.346 -15.711 12.167 1.00 0.00 N ATOM 404 NH2 ARG A 26 91.768 -14.536 13.474 1.00 0.00 N ATOM 0 H ARG A 26 90.469 -11.306 7.136 1.00 0.00 H new ATOM 0 HA ARG A 26 92.988 -10.877 8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 26 91.859 -12.248 10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 26 90.579 -12.482 8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 26 91.850 -14.310 7.820 1.00 0.00 H new ATOM 0 HG3 ARG A 26 93.225 -14.024 8.868 1.00 0.00 H new ATOM 0 HD2 ARG A 26 90.435 -14.844 9.835 1.00 0.00 H new ATOM 0 HD3 ARG A 26 91.795 -15.938 9.670 1.00 0.00 H new ATOM 0 HE ARG A 26 92.832 -13.912 11.320 1.00 0.00 H new ATOM 0 HH11 ARG A 26 90.041 -16.012 11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 26 89.849 -16.033 12.997 1.00 0.00 H new ATOM 0 HH21 ARG A 26 92.574 -13.918 13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 26 91.271 -14.858 14.305 1.00 0.00 H new ATOM 418 N GLY A 27 94.560 -12.234 7.289 1.00 0.00 N ATOM 419 CA GLY A 27 95.490 -12.968 6.388 1.00 0.00 C ATOM 420 C GLY A 27 95.742 -12.138 5.127 1.00 0.00 C ATOM 421 O GLY A 27 96.447 -12.555 4.227 1.00 0.00 O ATOM 0 H GLY A 27 95.009 -11.675 8.014 1.00 0.00 H new ATOM 0 HA2 GLY A 27 96.431 -13.164 6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 27 95.066 -13.936 6.120 1.00 0.00 H new ATOM 425 N LYS A 28 95.170 -10.967 5.051 1.00 0.00 N ATOM 426 CA LYS A 28 95.376 -10.121 3.849 1.00 0.00 C ATOM 427 C LYS A 28 96.428 -9.051 4.134 1.00 0.00 C ATOM 428 O LYS A 28 96.348 -8.315 5.097 1.00 0.00 O ATOM 429 CB LYS A 28 94.061 -9.446 3.458 1.00 0.00 C ATOM 430 CG LYS A 28 93.065 -10.506 2.993 1.00 0.00 C ATOM 431 CD LYS A 28 93.568 -11.132 1.691 1.00 0.00 C ATOM 432 CE LYS A 28 92.381 -11.450 0.781 1.00 0.00 C ATOM 433 NZ LYS A 28 92.875 -12.119 -0.457 1.00 0.00 N ATOM 0 H LYS A 28 94.570 -10.563 5.770 1.00 0.00 H new ATOM 0 HA LYS A 28 95.719 -10.753 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.655 -8.897 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 28 94.234 -8.720 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.949 -11.273 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.083 -10.057 2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 28 94.252 -10.448 1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 28 94.128 -12.042 1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 28 91.673 -12.096 1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 28 91.848 -10.534 0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 92.070 -12.337 -1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 93.535 -11.487 -0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 93.365 -13.001 -0.203 1.00 0.00 H new ATOM 447 N ARG A 29 97.406 -8.963 3.285 1.00 0.00 N ATOM 448 CA ARG A 29 98.478 -7.946 3.461 1.00 0.00 C ATOM 449 C ARG A 29 97.859 -6.548 3.385 1.00 0.00 C ATOM 450 O ARG A 29 96.896 -6.324 2.678 1.00 0.00 O ATOM 451 CB ARG A 29 99.500 -8.113 2.335 1.00 0.00 C ATOM 452 CG ARG A 29 100.709 -7.215 2.592 1.00 0.00 C ATOM 453 CD ARG A 29 101.697 -7.355 1.433 1.00 0.00 C ATOM 454 NE ARG A 29 102.268 -8.733 1.424 1.00 0.00 N ATOM 455 CZ ARG A 29 102.900 -9.165 0.365 1.00 0.00 C ATOM 456 NH1 ARG A 29 103.037 -8.386 -0.672 1.00 0.00 N ATOM 457 NH2 ARG A 29 103.391 -10.375 0.341 1.00 0.00 N ATOM 0 H ARG A 29 97.512 -9.559 2.464 1.00 0.00 H new ATOM 0 HA ARG A 29 98.966 -8.075 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 29 99.817 -9.154 2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.044 -7.859 1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 29 100.391 -6.177 2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 29 101.190 -7.492 3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 29 101.194 -7.153 0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 29 102.496 -6.620 1.533 1.00 0.00 H new ATOM 0 HE ARG A 29 102.166 -9.335 2.241 1.00 0.00 H new ATOM 0 HH11 ARG A 29 102.651 -7.442 -0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 29 103.530 -8.721 -1.500 1.00 0.00 H new ATOM 0 HH21 ARG A 29 103.282 -10.986 1.150 1.00 0.00 H new ATOM 0 HH22 ARG A 29 103.884 -10.709 -0.487 1.00 0.00 H new ATOM 471 N ASP A 30 98.399 -5.602 4.101 1.00 0.00 N ATOM 472 CA ASP A 30 97.828 -4.224 4.051 1.00 0.00 C ATOM 473 C ASP A 30 97.611 -3.833 2.585 1.00 0.00 C ATOM 474 O ASP A 30 98.252 -4.358 1.697 1.00 0.00 O ATOM 475 CB ASP A 30 98.802 -3.236 4.698 1.00 0.00 C ATOM 476 CG ASP A 30 100.089 -3.177 3.873 1.00 0.00 C ATOM 477 OD1 ASP A 30 100.202 -3.945 2.931 1.00 0.00 O ATOM 478 OD2 ASP A 30 100.937 -2.359 4.194 1.00 0.00 O ATOM 0 H ASP A 30 99.205 -5.720 4.715 1.00 0.00 H new ATOM 0 HA ASP A 30 96.881 -4.199 4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.349 -2.247 4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 30 99.025 -3.545 5.719 1.00 0.00 H new ATOM 483 N GLY A 31 96.716 -2.920 2.324 1.00 0.00 N ATOM 484 CA GLY A 31 96.466 -2.506 0.911 1.00 0.00 C ATOM 485 C GLY A 31 95.221 -3.219 0.380 1.00 0.00 C ATOM 486 O GLY A 31 94.471 -2.673 -0.406 1.00 0.00 O ATOM 0 H GLY A 31 96.148 -2.443 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.330 -1.426 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.329 -2.750 0.292 1.00 0.00 H new ATOM 490 N THR A 32 94.987 -4.430 0.807 1.00 0.00 N ATOM 491 CA THR A 32 93.785 -5.162 0.324 1.00 0.00 C ATOM 492 C THR A 32 92.543 -4.551 0.970 1.00 0.00 C ATOM 493 O THR A 32 92.445 -4.474 2.178 1.00 0.00 O ATOM 494 CB THR A 32 93.887 -6.632 0.722 1.00 0.00 C ATOM 495 OG1 THR A 32 95.099 -7.173 0.215 1.00 0.00 O ATOM 496 CG2 THR A 32 92.698 -7.399 0.143 1.00 0.00 C ATOM 0 H THR A 32 95.574 -4.941 1.466 1.00 0.00 H new ATOM 0 HA THR A 32 93.719 -5.085 -0.761 1.00 0.00 H new ATOM 0 HB THR A 32 93.878 -6.720 1.808 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.826 -6.996 0.848 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.770 -8.449 0.426 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.770 -6.980 0.533 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.705 -7.315 -0.944 1.00 0.00 H new ATOM 504 N PHE A 33 91.587 -4.112 0.194 1.00 0.00 N ATOM 505 CA PHE A 33 90.384 -3.517 0.825 1.00 0.00 C ATOM 506 C PHE A 33 89.130 -3.832 0.018 1.00 0.00 C ATOM 507 O PHE A 33 89.185 -4.353 -1.080 1.00 0.00 O ATOM 508 CB PHE A 33 90.550 -2.000 0.936 1.00 0.00 C ATOM 509 CG PHE A 33 89.726 -1.298 -0.115 1.00 0.00 C ATOM 510 CD1 PHE A 33 88.390 -0.994 0.158 1.00 0.00 C ATOM 511 CD2 PHE A 33 90.288 -0.944 -1.346 1.00 0.00 C ATOM 512 CE1 PHE A 33 87.614 -0.341 -0.798 1.00 0.00 C ATOM 513 CE2 PHE A 33 89.505 -0.289 -2.304 1.00 0.00 C ATOM 514 CZ PHE A 33 88.166 0.010 -2.025 1.00 0.00 C ATOM 0 H PHE A 33 91.589 -4.140 -0.826 1.00 0.00 H new ATOM 0 HA PHE A 33 90.275 -3.949 1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.245 -1.667 1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.601 -1.734 0.820 1.00 0.00 H new ATOM 0 HD1 PHE A 33 87.958 -1.265 1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 33 91.322 -1.175 -1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 33 86.581 -0.107 -0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 33 89.933 -0.015 -3.257 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.561 0.514 -2.764 1.00 0.00 H new ATOM 524 N LEU A 34 88.001 -3.491 0.566 1.00 0.00 N ATOM 525 CA LEU A 34 86.713 -3.733 -0.138 1.00 0.00 C ATOM 526 C LEU A 34 85.708 -2.644 0.252 1.00 0.00 C ATOM 527 O LEU A 34 85.844 -2.008 1.278 1.00 0.00 O ATOM 528 CB LEU A 34 86.167 -5.100 0.279 1.00 0.00 C ATOM 529 CG LEU A 34 85.874 -5.105 1.785 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.482 -5.685 2.030 1.00 0.00 C ATOM 531 CD2 LEU A 34 86.916 -5.965 2.503 1.00 0.00 C ATOM 0 H LEU A 34 87.914 -3.050 1.482 1.00 0.00 H new ATOM 0 HA LEU A 34 86.871 -3.711 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.258 -5.324 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 34 86.889 -5.880 0.037 1.00 0.00 H new ATOM 0 HG LEU A 34 85.916 -4.085 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.273 -5.689 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 34 83.738 -5.075 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.441 -6.705 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.709 -5.969 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 34 86.872 -6.985 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.910 -5.554 2.327 1.00 0.00 H new ATOM 543 N VAL A 35 84.688 -2.443 -0.539 1.00 0.00 N ATOM 544 CA VAL A 35 83.670 -1.421 -0.183 1.00 0.00 C ATOM 545 C VAL A 35 82.459 -2.147 0.395 1.00 0.00 C ATOM 546 O VAL A 35 82.066 -3.195 -0.077 1.00 0.00 O ATOM 547 CB VAL A 35 83.259 -0.620 -1.423 1.00 0.00 C ATOM 548 CG1 VAL A 35 81.926 0.084 -1.157 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.322 0.435 -1.726 1.00 0.00 C ATOM 0 H VAL A 35 84.519 -2.942 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 35 84.080 -0.723 0.547 1.00 0.00 H new ATOM 0 HB VAL A 35 83.158 -1.298 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.633 0.654 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.160 -0.659 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.034 0.759 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.029 1.004 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.419 1.109 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.278 -0.055 -1.911 1.00 0.00 H new ATOM 559 N ARG A 36 81.880 -1.616 1.429 1.00 0.00 N ATOM 560 CA ARG A 36 80.716 -2.289 2.054 1.00 0.00 C ATOM 561 C ARG A 36 79.803 -1.243 2.689 1.00 0.00 C ATOM 562 O ARG A 36 80.218 -0.141 2.972 1.00 0.00 O ATOM 563 CB ARG A 36 81.221 -3.245 3.132 1.00 0.00 C ATOM 564 CG ARG A 36 80.035 -3.752 3.944 1.00 0.00 C ATOM 565 CD ARG A 36 80.460 -4.961 4.771 1.00 0.00 C ATOM 566 NE ARG A 36 81.030 -5.999 3.872 1.00 0.00 N ATOM 567 CZ ARG A 36 81.710 -6.990 4.378 1.00 0.00 C ATOM 568 NH1 ARG A 36 81.828 -7.098 5.672 1.00 0.00 N ATOM 569 NH2 ARG A 36 82.249 -7.881 3.592 1.00 0.00 N ATOM 0 H ARG A 36 82.164 -0.741 1.870 1.00 0.00 H new ATOM 0 HA ARG A 36 80.158 -2.842 1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 36 81.749 -4.082 2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.932 -2.736 3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 36 79.666 -2.963 4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 36 79.216 -4.024 3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 36 81.198 -4.664 5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 36 79.604 -5.364 5.313 1.00 0.00 H new ATOM 0 HE ARG A 36 80.890 -5.936 2.864 1.00 0.00 H new ATOM 0 HH11 ARG A 36 81.389 -6.409 6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 36 82.359 -7.871 6.073 1.00 0.00 H new ATOM 0 HH21 ARG A 36 82.139 -7.803 2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 36 82.781 -8.656 3.988 1.00 0.00 H new ATOM 583 N GLU A 37 78.569 -1.571 2.939 1.00 0.00 N ATOM 584 CA GLU A 37 77.677 -0.570 3.571 1.00 0.00 C ATOM 585 C GLU A 37 77.526 -0.893 5.046 1.00 0.00 C ATOM 586 O GLU A 37 77.981 -1.915 5.522 1.00 0.00 O ATOM 587 CB GLU A 37 76.298 -0.590 2.893 1.00 0.00 C ATOM 588 CG GLU A 37 75.737 -2.010 2.906 1.00 0.00 C ATOM 589 CD GLU A 37 76.138 -2.730 1.617 1.00 0.00 C ATOM 590 OE1 GLU A 37 77.210 -2.443 1.110 1.00 0.00 O ATOM 591 OE2 GLU A 37 75.365 -3.556 1.157 1.00 0.00 O ATOM 0 H GLU A 37 78.145 -2.476 2.736 1.00 0.00 H new ATOM 0 HA GLU A 37 78.112 0.423 3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.617 0.085 3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.382 -0.231 1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.116 -2.554 3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 37 74.651 -1.982 2.997 1.00 0.00 H new ATOM 677 N TYR A 44 77.060 3.867 3.189 1.00 0.00 N ATOM 678 CA TYR A 44 78.192 3.143 2.536 1.00 0.00 C ATOM 679 C TYR A 44 79.415 3.147 3.461 1.00 0.00 C ATOM 680 O TYR A 44 79.496 3.917 4.396 1.00 0.00 O ATOM 681 CB TYR A 44 78.557 3.813 1.209 1.00 0.00 C ATOM 682 CG TYR A 44 77.440 3.625 0.210 1.00 0.00 C ATOM 683 CD1 TYR A 44 77.018 2.336 -0.144 1.00 0.00 C ATOM 684 CD2 TYR A 44 76.829 4.744 -0.371 1.00 0.00 C ATOM 685 CE1 TYR A 44 75.986 2.169 -1.077 1.00 0.00 C ATOM 686 CE2 TYR A 44 75.798 4.575 -1.303 1.00 0.00 C ATOM 687 CZ TYR A 44 75.376 3.289 -1.656 1.00 0.00 C ATOM 688 OH TYR A 44 74.357 3.126 -2.574 1.00 0.00 O ATOM 0 HA TYR A 44 77.883 2.116 2.343 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.739 4.876 1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.481 3.386 0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 44 77.488 1.472 0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 44 77.154 5.738 -0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 44 75.661 1.176 -1.350 1.00 0.00 H new ATOM 0 HE2 TYR A 44 75.328 5.439 -1.750 1.00 0.00 H new ATOM 0 HH TYR A 44 74.045 4.005 -2.876 1.00 0.00 H new ATOM 698 N ALA A 45 80.372 2.289 3.204 1.00 0.00 N ATOM 699 CA ALA A 45 81.592 2.240 4.064 1.00 0.00 C ATOM 700 C ALA A 45 82.618 1.304 3.420 1.00 0.00 C ATOM 701 O ALA A 45 82.272 0.431 2.656 1.00 0.00 O ATOM 702 CB ALA A 45 81.217 1.720 5.454 1.00 0.00 C ATOM 0 H ALA A 45 80.359 1.620 2.434 1.00 0.00 H new ATOM 0 HA ALA A 45 82.018 3.239 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.108 1.684 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.481 2.386 5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 45 80.795 0.719 5.366 1.00 0.00 H new ATOM 708 N CYS A 46 83.878 1.468 3.710 1.00 0.00 N ATOM 709 CA CYS A 46 84.886 0.569 3.091 1.00 0.00 C ATOM 710 C CYS A 46 85.846 0.072 4.167 1.00 0.00 C ATOM 711 O CYS A 46 86.205 0.790 5.081 1.00 0.00 O ATOM 712 CB CYS A 46 85.667 1.334 2.014 1.00 0.00 C ATOM 713 SG CYS A 46 86.704 2.592 2.801 1.00 0.00 S ATOM 0 H CYS A 46 84.249 2.178 4.342 1.00 0.00 H new ATOM 0 HA CYS A 46 84.383 -0.282 2.631 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.286 0.645 1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 46 84.977 1.803 1.313 1.00 0.00 H new ATOM 0 HG CYS A 46 87.368 3.239 1.890 1.00 0.00 H new ATOM 719 N SER A 47 86.260 -1.154 4.064 1.00 0.00 N ATOM 720 CA SER A 47 87.191 -1.716 5.078 1.00 0.00 C ATOM 721 C SER A 47 88.512 -2.080 4.417 1.00 0.00 C ATOM 722 O SER A 47 88.549 -2.622 3.331 1.00 0.00 O ATOM 723 CB SER A 47 86.577 -2.980 5.678 1.00 0.00 C ATOM 724 OG SER A 47 86.411 -3.945 4.650 1.00 0.00 O ATOM 0 H SER A 47 85.993 -1.796 3.318 1.00 0.00 H new ATOM 0 HA SER A 47 87.363 -0.974 5.858 1.00 0.00 H new ATOM 0 HB2 SER A 47 87.220 -3.374 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 47 85.616 -2.750 6.138 1.00 0.00 H new ATOM 0 HG SER A 47 85.751 -4.612 4.931 1.00 0.00 H new ATOM 730 N VAL A 48 89.600 -1.807 5.072 1.00 0.00 N ATOM 731 CA VAL A 48 90.913 -2.159 4.486 1.00 0.00 C ATOM 732 C VAL A 48 91.768 -2.843 5.539 1.00 0.00 C ATOM 733 O VAL A 48 91.478 -2.804 6.719 1.00 0.00 O ATOM 734 CB VAL A 48 91.636 -0.904 4.006 1.00 0.00 C ATOM 735 CG1 VAL A 48 91.945 0.009 5.192 1.00 0.00 C ATOM 736 CG2 VAL A 48 92.941 -1.302 3.313 1.00 0.00 C ATOM 0 H VAL A 48 89.635 -1.356 5.986 1.00 0.00 H new ATOM 0 HA VAL A 48 90.749 -2.826 3.639 1.00 0.00 H new ATOM 0 HB VAL A 48 90.996 -0.370 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 48 92.461 0.902 4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 48 91.015 0.297 5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.580 -0.520 5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.458 -0.406 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.576 -1.841 4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 48 92.719 -1.942 2.459 1.00 0.00 H new ATOM 746 N VAL A 49 92.831 -3.447 5.120 1.00 0.00 N ATOM 747 CA VAL A 49 93.734 -4.112 6.089 1.00 0.00 C ATOM 748 C VAL A 49 94.958 -3.233 6.281 1.00 0.00 C ATOM 749 O VAL A 49 95.498 -2.699 5.337 1.00 0.00 O ATOM 750 CB VAL A 49 94.175 -5.471 5.562 1.00 0.00 C ATOM 751 CG1 VAL A 49 95.282 -6.029 6.462 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.984 -6.428 5.565 1.00 0.00 C ATOM 0 H VAL A 49 93.118 -3.511 4.143 1.00 0.00 H new ATOM 0 HA VAL A 49 93.209 -4.258 7.033 1.00 0.00 H new ATOM 0 HB VAL A 49 94.552 -5.364 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.600 -7.002 6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 49 96.131 -5.345 6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.904 -6.138 7.479 1.00 0.00 H new ATOM 0 HG21 VAL A 49 93.298 -7.401 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.608 -6.537 6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 49 92.195 -6.029 4.927 1.00 0.00 H new ATOM 762 N VAL A 50 95.407 -3.077 7.483 1.00 0.00 N ATOM 763 CA VAL A 50 96.604 -2.235 7.702 1.00 0.00 C ATOM 764 C VAL A 50 97.723 -3.096 8.270 1.00 0.00 C ATOM 765 O VAL A 50 97.485 -4.093 8.923 1.00 0.00 O ATOM 766 CB VAL A 50 96.276 -1.092 8.665 1.00 0.00 C ATOM 767 CG1 VAL A 50 97.575 -0.437 9.133 1.00 0.00 C ATOM 768 CG2 VAL A 50 95.424 -0.048 7.939 1.00 0.00 C ATOM 0 H VAL A 50 95.001 -3.493 8.321 1.00 0.00 H new ATOM 0 HA VAL A 50 96.924 -1.804 6.753 1.00 0.00 H new ATOM 0 HB VAL A 50 95.730 -1.483 9.523 1.00 0.00 H new ATOM 0 HG11 VAL A 50 97.345 0.378 9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 50 98.193 -1.177 9.642 1.00 0.00 H new ATOM 0 HG13 VAL A 50 98.115 -0.044 8.272 1.00 0.00 H new ATOM 0 HG21 VAL A 50 95.188 0.768 8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 50 95.977 0.342 7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 50 94.499 -0.510 7.593 1.00 0.00 H new ATOM 778 N ASP A 51 98.937 -2.715 8.009 1.00 0.00 N ATOM 779 CA ASP A 51 100.110 -3.489 8.504 1.00 0.00 C ATOM 780 C ASP A 51 100.002 -3.710 10.009 1.00 0.00 C ATOM 781 O ASP A 51 100.888 -4.269 10.627 1.00 0.00 O ATOM 782 CB ASP A 51 101.383 -2.695 8.210 1.00 0.00 C ATOM 783 CG ASP A 51 102.613 -3.517 8.590 1.00 0.00 C ATOM 784 OD1 ASP A 51 102.445 -4.661 8.979 1.00 0.00 O ATOM 785 OD2 ASP A 51 103.707 -2.986 8.485 1.00 0.00 O ATOM 0 H ASP A 51 99.173 -1.886 7.464 1.00 0.00 H new ATOM 0 HA ASP A 51 100.138 -4.457 8.003 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.422 -2.435 7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 51 101.374 -1.759 8.769 1.00 0.00 H new ATOM 790 N GLY A 52 98.947 -3.263 10.612 1.00 0.00 N ATOM 791 CA GLY A 52 98.831 -3.441 12.082 1.00 0.00 C ATOM 792 C GLY A 52 97.431 -3.903 12.502 1.00 0.00 C ATOM 793 O GLY A 52 97.290 -4.614 13.477 1.00 0.00 O ATOM 0 H GLY A 52 98.166 -2.787 10.161 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.568 -4.171 12.417 1.00 0.00 H new ATOM 0 HA3 GLY A 52 99.065 -2.500 12.580 1.00 0.00 H new ATOM 797 N GLU A 53 96.393 -3.505 11.818 1.00 0.00 N ATOM 798 CA GLU A 53 95.036 -3.948 12.263 1.00 0.00 C ATOM 799 C GLU A 53 94.019 -3.864 11.122 1.00 0.00 C ATOM 800 O GLU A 53 94.226 -3.192 10.132 1.00 0.00 O ATOM 801 CB GLU A 53 94.560 -3.045 13.408 1.00 0.00 C ATOM 802 CG GLU A 53 95.458 -3.220 14.637 1.00 0.00 C ATOM 803 CD GLU A 53 94.796 -2.555 15.845 1.00 0.00 C ATOM 804 OE1 GLU A 53 94.186 -1.515 15.664 1.00 0.00 O ATOM 805 OE2 GLU A 53 94.908 -3.097 16.931 1.00 0.00 O ATOM 0 H GLU A 53 96.419 -2.908 10.991 1.00 0.00 H new ATOM 0 HA GLU A 53 95.110 -4.985 12.590 1.00 0.00 H new ATOM 0 HB2 GLU A 53 94.572 -2.003 13.087 1.00 0.00 H new ATOM 0 HB3 GLU A 53 93.529 -3.287 13.666 1.00 0.00 H new ATOM 0 HG2 GLU A 53 95.621 -4.279 14.835 1.00 0.00 H new ATOM 0 HG3 GLU A 53 96.436 -2.776 14.453 1.00 0.00 H new ATOM 812 N VAL A 54 92.900 -4.524 11.284 1.00 0.00 N ATOM 813 CA VAL A 54 91.833 -4.470 10.248 1.00 0.00 C ATOM 814 C VAL A 54 91.114 -3.130 10.372 1.00 0.00 C ATOM 815 O VAL A 54 90.834 -2.673 11.461 1.00 0.00 O ATOM 816 CB VAL A 54 90.835 -5.594 10.487 1.00 0.00 C ATOM 817 CG1 VAL A 54 89.635 -5.409 9.559 1.00 0.00 C ATOM 818 CG2 VAL A 54 91.513 -6.935 10.201 1.00 0.00 C ATOM 0 H VAL A 54 92.682 -5.101 12.096 1.00 0.00 H new ATOM 0 HA VAL A 54 92.269 -4.580 9.255 1.00 0.00 H new ATOM 0 HB VAL A 54 90.494 -5.575 11.522 1.00 0.00 H new ATOM 0 HG11 VAL A 54 88.918 -6.212 9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.160 -4.450 9.765 1.00 0.00 H new ATOM 0 HG13 VAL A 54 89.970 -5.433 8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 54 90.803 -7.745 10.370 1.00 0.00 H new ATOM 0 HG22 VAL A 54 91.850 -6.959 9.165 1.00 0.00 H new ATOM 0 HG23 VAL A 54 92.369 -7.058 10.864 1.00 0.00 H new ATOM 828 N LYS A 55 90.826 -2.480 9.282 1.00 0.00 N ATOM 829 CA LYS A 55 90.154 -1.156 9.387 1.00 0.00 C ATOM 830 C LYS A 55 88.748 -1.196 8.786 1.00 0.00 C ATOM 831 O LYS A 55 88.459 -1.944 7.873 1.00 0.00 O ATOM 832 CB LYS A 55 90.997 -0.121 8.647 1.00 0.00 C ATOM 833 CG LYS A 55 92.433 -0.184 9.159 1.00 0.00 C ATOM 834 CD LYS A 55 92.430 -0.045 10.676 1.00 0.00 C ATOM 835 CE LYS A 55 93.839 0.288 11.172 1.00 0.00 C ATOM 836 NZ LYS A 55 93.774 0.733 12.595 1.00 0.00 N ATOM 0 H LYS A 55 91.023 -2.802 8.334 1.00 0.00 H new ATOM 0 HA LYS A 55 90.060 -0.892 10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 55 90.972 -0.314 7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.587 0.877 8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.894 -1.128 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 55 93.027 0.612 8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 55 91.735 0.739 10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 55 92.083 -0.971 11.134 1.00 0.00 H new ATOM 0 HE2 LYS A 55 94.484 -0.586 11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 55 94.278 1.072 10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 94.731 0.959 12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 93.173 1.578 12.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 93.372 -0.028 13.179 1.00 0.00 H new ATOM 850 N HIS A 56 87.877 -0.372 9.301 1.00 0.00 N ATOM 851 CA HIS A 56 86.481 -0.312 8.785 1.00 0.00 C ATOM 852 C HIS A 56 86.098 1.152 8.542 1.00 0.00 C ATOM 853 O HIS A 56 85.286 1.715 9.248 1.00 0.00 O ATOM 854 CB HIS A 56 85.519 -0.921 9.811 1.00 0.00 C ATOM 855 CG HIS A 56 85.693 -2.417 9.869 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.786 -3.200 8.727 1.00 0.00 N ATOM 857 CD2 HIS A 56 85.765 -3.287 10.927 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.907 -4.481 9.125 1.00 0.00 C ATOM 859 NE2 HIS A 56 85.902 -4.590 10.457 1.00 0.00 N ATOM 0 H HIS A 56 88.077 0.270 10.068 1.00 0.00 H new ATOM 0 HA HIS A 56 86.416 -0.874 7.854 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.704 -0.488 10.794 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.491 -0.678 9.544 1.00 0.00 H new ATOM 0 HD2 HIS A 56 85.722 -3.004 11.968 1.00 0.00 H new ATOM 0 HE1 HIS A 56 85.997 -5.319 8.449 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.981 -5.444 11.010 1.00 0.00 H new ATOM 867 N CYS A 57 86.678 1.773 7.550 1.00 0.00 N ATOM 868 CA CYS A 57 86.345 3.198 7.262 1.00 0.00 C ATOM 869 C CYS A 57 84.866 3.314 6.896 1.00 0.00 C ATOM 870 O CYS A 57 84.299 2.457 6.247 1.00 0.00 O ATOM 871 CB CYS A 57 87.208 3.691 6.101 1.00 0.00 C ATOM 872 SG CYS A 57 88.947 3.703 6.606 1.00 0.00 S ATOM 0 H CYS A 57 87.368 1.355 6.926 1.00 0.00 H new ATOM 0 HA CYS A 57 86.542 3.807 8.144 1.00 0.00 H new ATOM 0 HB2 CYS A 57 87.074 3.044 5.234 1.00 0.00 H new ATOM 0 HB3 CYS A 57 86.898 4.692 5.803 1.00 0.00 H new ATOM 0 HG CYS A 57 89.683 4.120 5.619 1.00 0.00 H new ATOM 878 N VAL A 58 84.236 4.373 7.324 1.00 0.00 N ATOM 879 CA VAL A 58 82.791 4.568 7.024 1.00 0.00 C ATOM 880 C VAL A 58 82.633 5.656 5.970 1.00 0.00 C ATOM 881 O VAL A 58 83.291 6.676 6.019 1.00 0.00 O ATOM 882 CB VAL A 58 82.071 4.999 8.296 1.00 0.00 C ATOM 883 CG1 VAL A 58 82.427 6.455 8.603 1.00 0.00 C ATOM 884 CG2 VAL A 58 80.555 4.880 8.098 1.00 0.00 C ATOM 0 H VAL A 58 84.665 5.118 7.873 1.00 0.00 H new ATOM 0 HA VAL A 58 82.366 3.635 6.653 1.00 0.00 H new ATOM 0 HB VAL A 58 82.378 4.359 9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 58 81.915 6.771 9.512 1.00 0.00 H new ATOM 0 HG12 VAL A 58 83.504 6.544 8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 58 82.115 7.089 7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 58 80.044 5.189 9.010 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.244 5.521 7.273 1.00 0.00 H new ATOM 0 HG23 VAL A 58 80.298 3.845 7.871 1.00 0.00 H new ATOM 894 N ILE A 59 81.759 5.460 5.025 1.00 0.00 N ATOM 895 CA ILE A 59 81.563 6.495 3.983 1.00 0.00 C ATOM 896 C ILE A 59 80.091 6.921 3.967 1.00 0.00 C ATOM 897 O ILE A 59 79.201 6.100 4.042 1.00 0.00 O ATOM 898 CB ILE A 59 81.956 5.914 2.626 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.448 5.565 2.640 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.684 6.946 1.531 1.00 0.00 C ATOM 901 CD1 ILE A 59 83.777 4.691 1.431 1.00 0.00 C ATOM 0 H ILE A 59 81.175 4.629 4.932 1.00 0.00 H new ATOM 0 HA ILE A 59 82.184 7.366 4.196 1.00 0.00 H new ATOM 0 HB ILE A 59 81.371 5.015 2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 59 84.046 6.476 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.701 5.040 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.964 6.532 0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.624 7.199 1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.270 7.845 1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 59 84.838 4.442 1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 59 83.189 3.774 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.539 5.232 0.515 1.00 0.00 H new ATOM 913 N ASN A 60 79.821 8.196 3.871 1.00 0.00 N ATOM 914 CA ASN A 60 78.397 8.650 3.851 1.00 0.00 C ATOM 915 C ASN A 60 77.995 8.993 2.413 1.00 0.00 C ATOM 916 O ASN A 60 78.829 9.089 1.545 1.00 0.00 O ATOM 917 CB ASN A 60 78.240 9.879 4.749 1.00 0.00 C ATOM 918 CG ASN A 60 78.456 9.475 6.211 1.00 0.00 C ATOM 919 OD1 ASN A 60 78.880 10.275 7.021 1.00 0.00 O ATOM 920 ND2 ASN A 60 78.175 8.257 6.586 1.00 0.00 N ATOM 0 H ASN A 60 80.518 8.938 3.806 1.00 0.00 H new ATOM 0 HA ASN A 60 77.751 7.855 4.223 1.00 0.00 H new ATOM 0 HB2 ASN A 60 78.959 10.646 4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.247 10.310 4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 60 78.311 7.978 7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 60 77.819 7.584 5.907 1.00 0.00 H new ATOM 1167 N SER A 77 81.803 11.192 -6.851 1.00 0.00 N ATOM 1168 CA SER A 77 81.310 9.780 -6.947 1.00 0.00 C ATOM 1169 C SER A 77 82.160 8.847 -6.074 1.00 0.00 C ATOM 1170 O SER A 77 83.284 9.154 -5.726 1.00 0.00 O ATOM 1171 CB SER A 77 81.385 9.319 -8.405 1.00 0.00 C ATOM 1172 OG SER A 77 80.514 10.120 -9.195 1.00 0.00 O ATOM 0 HA SER A 77 80.279 9.743 -6.594 1.00 0.00 H new ATOM 0 HB2 SER A 77 82.408 9.402 -8.773 1.00 0.00 H new ATOM 0 HB3 SER A 77 81.102 8.269 -8.482 1.00 0.00 H new ATOM 0 HG SER A 77 80.491 11.031 -8.835 1.00 0.00 H new ATOM 1178 N LEU A 78 81.629 7.700 -5.727 1.00 0.00 N ATOM 1179 CA LEU A 78 82.401 6.736 -4.890 1.00 0.00 C ATOM 1180 C LEU A 78 83.598 6.226 -5.691 1.00 0.00 C ATOM 1181 O LEU A 78 84.676 6.036 -5.161 1.00 0.00 O ATOM 1182 CB LEU A 78 81.509 5.553 -4.504 1.00 0.00 C ATOM 1183 CG LEU A 78 80.383 6.038 -3.587 1.00 0.00 C ATOM 1184 CD1 LEU A 78 79.440 4.873 -3.282 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.979 6.567 -2.282 1.00 0.00 C ATOM 0 H LEU A 78 80.693 7.391 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 78 82.745 7.236 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 78 81.090 5.093 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 78 82.100 4.789 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 78 79.829 6.836 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.637 5.216 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 78 79.015 4.496 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.995 4.076 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 78 80.177 6.912 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 78 81.533 5.770 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.652 7.396 -2.499 1.00 0.00 H new ATOM 1197 N LYS A 79 83.423 6.014 -6.968 1.00 0.00 N ATOM 1198 CA LYS A 79 84.560 5.530 -7.797 1.00 0.00 C ATOM 1199 C LYS A 79 85.742 6.479 -7.601 1.00 0.00 C ATOM 1200 O LYS A 79 86.869 6.058 -7.428 1.00 0.00 O ATOM 1201 CB LYS A 79 84.154 5.535 -9.274 1.00 0.00 C ATOM 1202 CG LYS A 79 83.176 4.393 -9.544 1.00 0.00 C ATOM 1203 CD LYS A 79 82.850 4.338 -11.039 1.00 0.00 C ATOM 1204 CE LYS A 79 82.090 3.044 -11.342 1.00 0.00 C ATOM 1205 NZ LYS A 79 82.933 1.875 -10.963 1.00 0.00 N ATOM 0 H LYS A 79 82.546 6.155 -7.469 1.00 0.00 H new ATOM 0 HA LYS A 79 84.833 4.517 -7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 79 83.694 6.489 -9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.037 5.427 -9.904 1.00 0.00 H new ATOM 0 HG2 LYS A 79 83.609 3.446 -9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.263 4.539 -8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 79 82.249 5.202 -11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 79 83.768 4.380 -11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 79 81.150 3.023 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 79 81.838 2.997 -12.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 82.636 1.041 -11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 83.931 2.086 -11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 82.821 1.681 -9.947 1.00 0.00 H new ATOM 1219 N GLU A 80 85.489 7.763 -7.617 1.00 0.00 N ATOM 1220 CA GLU A 80 86.595 8.743 -7.424 1.00 0.00 C ATOM 1221 C GLU A 80 87.092 8.692 -5.980 1.00 0.00 C ATOM 1222 O GLU A 80 88.278 8.731 -5.716 1.00 0.00 O ATOM 1223 CB GLU A 80 86.089 10.153 -7.715 1.00 0.00 C ATOM 1224 CG GLU A 80 85.828 10.294 -9.208 1.00 0.00 C ATOM 1225 CD GLU A 80 85.333 11.710 -9.505 1.00 0.00 C ATOM 1226 OE1 GLU A 80 85.219 12.484 -8.569 1.00 0.00 O ATOM 1227 OE2 GLU A 80 85.076 11.995 -10.663 1.00 0.00 O ATOM 0 H GLU A 80 84.565 8.173 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 80 87.409 8.490 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.175 10.347 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 80 86.824 10.890 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 80 86.740 10.091 -9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 80 85.086 9.563 -9.530 1.00 0.00 H new ATOM 1234 N LEU A 81 86.192 8.613 -5.040 1.00 0.00 N ATOM 1235 CA LEU A 81 86.607 8.573 -3.614 1.00 0.00 C ATOM 1236 C LEU A 81 87.499 7.356 -3.381 1.00 0.00 C ATOM 1237 O LEU A 81 88.541 7.441 -2.760 1.00 0.00 O ATOM 1238 CB LEU A 81 85.357 8.475 -2.736 1.00 0.00 C ATOM 1239 CG LEU A 81 85.761 8.426 -1.262 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.554 8.786 -0.394 1.00 0.00 C ATOM 1241 CD2 LEU A 81 86.247 7.017 -0.903 1.00 0.00 C ATOM 0 H LEU A 81 85.185 8.574 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 81 87.161 9.477 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.707 9.331 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.788 7.583 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 81 86.566 9.139 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 81 84.839 8.752 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.212 9.790 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.750 8.073 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.534 6.988 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.446 6.300 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 81 87.108 6.761 -1.521 1.00 0.00 H new ATOM 1253 N VAL A 82 87.099 6.223 -3.881 1.00 0.00 N ATOM 1254 CA VAL A 82 87.915 4.994 -3.698 1.00 0.00 C ATOM 1255 C VAL A 82 89.275 5.171 -4.389 1.00 0.00 C ATOM 1256 O VAL A 82 90.307 4.864 -3.831 1.00 0.00 O ATOM 1257 CB VAL A 82 87.162 3.817 -4.317 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.037 2.567 -4.285 1.00 0.00 C ATOM 1259 CG2 VAL A 82 85.878 3.569 -3.516 1.00 0.00 C ATOM 0 H VAL A 82 86.237 6.095 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 82 88.084 4.808 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 82 86.912 4.047 -5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 82 87.494 1.732 -4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 82 88.950 2.748 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.292 2.328 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.334 2.730 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.133 3.339 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.253 4.461 -3.545 1.00 0.00 H new ATOM 1269 N LEU A 83 89.273 5.668 -5.601 1.00 0.00 N ATOM 1270 CA LEU A 83 90.554 5.874 -6.348 1.00 0.00 C ATOM 1271 C LEU A 83 91.448 6.863 -5.604 1.00 0.00 C ATOM 1272 O LEU A 83 92.650 6.702 -5.535 1.00 0.00 O ATOM 1273 CB LEU A 83 90.236 6.439 -7.737 1.00 0.00 C ATOM 1274 CG LEU A 83 89.606 5.350 -8.606 1.00 0.00 C ATOM 1275 CD1 LEU A 83 88.984 5.984 -9.851 1.00 0.00 C ATOM 1276 CD2 LEU A 83 90.687 4.350 -9.038 1.00 0.00 C ATOM 0 H LEU A 83 88.432 5.942 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 83 91.073 4.919 -6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.555 7.286 -7.648 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.147 6.810 -8.206 1.00 0.00 H new ATOM 0 HG LEU A 83 88.835 4.834 -8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 83 88.535 5.207 -10.470 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.216 6.697 -9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.756 6.500 -10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 83 90.238 3.574 -9.657 1.00 0.00 H new ATOM 0 HD22 LEU A 83 91.456 4.870 -9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.136 3.895 -8.155 1.00 0.00 H new ATOM 1288 N HIS A 84 90.875 7.895 -5.059 1.00 0.00 N ATOM 1289 CA HIS A 84 91.693 8.906 -4.339 1.00 0.00 C ATOM 1290 C HIS A 84 92.586 8.221 -3.300 1.00 0.00 C ATOM 1291 O HIS A 84 93.767 8.487 -3.220 1.00 0.00 O ATOM 1292 CB HIS A 84 90.762 9.894 -3.637 1.00 0.00 C ATOM 1293 CG HIS A 84 91.572 11.013 -3.037 1.00 0.00 C ATOM 1294 ND1 HIS A 84 92.090 10.946 -1.752 1.00 0.00 N ATOM 1295 CD2 HIS A 84 91.968 12.228 -3.535 1.00 0.00 C ATOM 1296 CE1 HIS A 84 92.764 12.089 -1.525 1.00 0.00 C ATOM 1297 NE2 HIS A 84 92.719 12.907 -2.580 1.00 0.00 N ATOM 0 H HIS A 84 89.873 8.083 -5.081 1.00 0.00 H new ATOM 0 HA HIS A 84 92.324 9.433 -5.055 1.00 0.00 H new ATOM 0 HB2 HIS A 84 90.039 10.295 -4.347 1.00 0.00 H new ATOM 0 HB3 HIS A 84 90.195 9.384 -2.858 1.00 0.00 H new ATOM 0 HD2 HIS A 84 91.732 12.602 -4.520 1.00 0.00 H new ATOM 0 HE1 HIS A 84 93.278 12.317 -0.603 1.00 0.00 H new ATOM 0 HE2 HIS A 84 93.144 13.830 -2.667 1.00 0.00 H new ATOM 1305 N TYR A 85 92.034 7.355 -2.496 1.00 0.00 N ATOM 1306 CA TYR A 85 92.862 6.675 -1.452 1.00 0.00 C ATOM 1307 C TYR A 85 93.829 5.652 -2.061 1.00 0.00 C ATOM 1308 O TYR A 85 94.803 5.280 -1.439 1.00 0.00 O ATOM 1309 CB TYR A 85 91.950 5.977 -0.450 1.00 0.00 C ATOM 1310 CG TYR A 85 91.428 6.993 0.529 1.00 0.00 C ATOM 1311 CD1 TYR A 85 92.329 7.709 1.327 1.00 0.00 C ATOM 1312 CD2 TYR A 85 90.050 7.228 0.640 1.00 0.00 C ATOM 1313 CE1 TYR A 85 91.857 8.659 2.233 1.00 0.00 C ATOM 1314 CE2 TYR A 85 89.577 8.178 1.552 1.00 0.00 C ATOM 1315 CZ TYR A 85 90.484 8.895 2.347 1.00 0.00 C ATOM 1316 OH TYR A 85 90.026 9.842 3.238 1.00 0.00 O ATOM 0 H TYR A 85 91.050 7.087 -2.514 1.00 0.00 H new ATOM 0 HA TYR A 85 93.457 7.440 -0.953 1.00 0.00 H new ATOM 0 HB2 TYR A 85 91.122 5.494 -0.968 1.00 0.00 H new ATOM 0 HB3 TYR A 85 92.497 5.195 0.076 1.00 0.00 H new ATOM 0 HD1 TYR A 85 93.390 7.526 1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 85 89.355 6.677 0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 85 92.553 9.212 2.846 1.00 0.00 H new ATOM 0 HE2 TYR A 85 88.516 8.359 1.644 1.00 0.00 H new ATOM 0 HH TYR A 85 89.048 9.886 3.195 1.00 0.00 H new ATOM 1326 N GLN A 86 93.580 5.180 -3.250 1.00 0.00 N ATOM 1327 CA GLN A 86 94.514 4.173 -3.842 1.00 0.00 C ATOM 1328 C GLN A 86 95.904 4.796 -3.992 1.00 0.00 C ATOM 1329 O GLN A 86 96.915 4.142 -3.817 1.00 0.00 O ATOM 1330 CB GLN A 86 94.004 3.735 -5.220 1.00 0.00 C ATOM 1331 CG GLN A 86 92.639 3.070 -5.075 1.00 0.00 C ATOM 1332 CD GLN A 86 92.078 2.738 -6.459 1.00 0.00 C ATOM 1333 OE1 GLN A 86 90.880 2.760 -6.661 1.00 0.00 O ATOM 1334 NE2 GLN A 86 92.895 2.432 -7.426 1.00 0.00 N ATOM 0 H GLN A 86 92.784 5.440 -3.833 1.00 0.00 H new ATOM 0 HA GLN A 86 94.568 3.305 -3.185 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.931 4.598 -5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 86 94.710 3.042 -5.677 1.00 0.00 H new ATOM 0 HG2 GLN A 86 92.728 2.161 -4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 86 91.955 3.733 -4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.901 2.413 -7.257 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.529 2.211 -8.352 1.00 0.00 H new ATOM 1343 N HIS A 87 95.958 6.058 -4.315 1.00 0.00 N ATOM 1344 CA HIS A 87 97.270 6.741 -4.480 1.00 0.00 C ATOM 1345 C HIS A 87 97.657 7.403 -3.158 1.00 0.00 C ATOM 1346 O HIS A 87 98.812 7.443 -2.776 1.00 0.00 O ATOM 1347 CB HIS A 87 97.137 7.810 -5.569 1.00 0.00 C ATOM 1348 CG HIS A 87 98.477 8.429 -5.859 1.00 0.00 C ATOM 1349 ND1 HIS A 87 98.936 9.552 -5.188 1.00 0.00 N ATOM 1350 CD2 HIS A 87 99.465 8.099 -6.754 1.00 0.00 C ATOM 1351 CE1 HIS A 87 100.149 9.856 -5.688 1.00 0.00 C ATOM 1352 NE2 HIS A 87 100.519 9.000 -6.646 1.00 0.00 N ATOM 0 H HIS A 87 95.142 6.650 -4.473 1.00 0.00 H new ATOM 0 HA HIS A 87 98.037 6.020 -4.764 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.730 7.365 -6.477 1.00 0.00 H new ATOM 0 HB3 HIS A 87 96.435 8.580 -5.249 1.00 0.00 H new ATOM 0 HD2 HIS A 87 99.429 7.265 -7.439 1.00 0.00 H new ATOM 0 HE1 HIS A 87 100.750 10.690 -5.356 1.00 0.00 H new ATOM 0 HE2 HIS A 87 101.387 9.006 -7.182 1.00 0.00 H new ATOM 1360 N THR A 88 96.691 7.933 -2.460 1.00 0.00 N ATOM 1361 CA THR A 88 96.975 8.605 -1.169 1.00 0.00 C ATOM 1362 C THR A 88 96.901 7.598 -0.019 1.00 0.00 C ATOM 1363 O THR A 88 96.043 6.737 0.019 1.00 0.00 O ATOM 1364 CB THR A 88 95.935 9.705 -0.963 1.00 0.00 C ATOM 1365 OG1 THR A 88 94.651 9.211 -1.318 1.00 0.00 O ATOM 1366 CG2 THR A 88 96.286 10.910 -1.837 1.00 0.00 C ATOM 0 H THR A 88 95.709 7.927 -2.735 1.00 0.00 H new ATOM 0 HA THR A 88 97.978 9.031 -1.186 1.00 0.00 H new ATOM 0 HB THR A 88 95.928 10.011 0.083 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.521 9.302 -2.285 1.00 0.00 H new ATOM 0 HG21 THR A 88 95.544 11.695 -1.690 1.00 0.00 H new ATOM 0 HG22 THR A 88 97.271 11.286 -1.560 1.00 0.00 H new ATOM 0 HG23 THR A 88 96.294 10.610 -2.885 1.00 0.00 H new ATOM 1374 N SER A 89 97.801 7.707 0.919 1.00 0.00 N ATOM 1375 CA SER A 89 97.804 6.771 2.074 1.00 0.00 C ATOM 1376 C SER A 89 96.777 7.233 3.107 1.00 0.00 C ATOM 1377 O SER A 89 96.662 8.407 3.400 1.00 0.00 O ATOM 1378 CB SER A 89 99.194 6.755 2.704 1.00 0.00 C ATOM 1379 OG SER A 89 99.165 5.988 3.901 1.00 0.00 O ATOM 0 H SER A 89 98.539 8.411 0.933 1.00 0.00 H new ATOM 0 HA SER A 89 97.546 5.768 1.734 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.916 6.332 2.006 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.518 7.773 2.920 1.00 0.00 H new ATOM 0 HG SER A 89 100.058 5.977 4.304 1.00 0.00 H new ATOM 1385 N LEU A 90 96.022 6.319 3.651 1.00 0.00 N ATOM 1386 CA LEU A 90 94.994 6.703 4.657 1.00 0.00 C ATOM 1387 C LEU A 90 95.642 7.350 5.885 1.00 0.00 C ATOM 1388 O LEU A 90 95.140 8.324 6.398 1.00 0.00 O ATOM 1389 CB LEU A 90 94.213 5.462 5.080 1.00 0.00 C ATOM 1390 CG LEU A 90 93.048 5.247 4.114 1.00 0.00 C ATOM 1391 CD1 LEU A 90 92.637 3.777 4.132 1.00 0.00 C ATOM 1392 CD2 LEU A 90 91.860 6.104 4.552 1.00 0.00 C ATOM 0 H LEU A 90 96.073 5.322 3.442 1.00 0.00 H new ATOM 0 HA LEU A 90 94.319 7.430 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 90 94.866 4.589 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.840 5.582 6.097 1.00 0.00 H new ATOM 0 HG LEU A 90 93.355 5.530 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 90 91.806 3.623 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 90 93.481 3.159 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 90 92.330 3.497 5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.028 5.952 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 90 91.556 5.817 5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.148 7.155 4.546 1.00 0.00 H new ATOM 1404 N VAL A 91 96.747 6.825 6.359 1.00 0.00 N ATOM 1405 CA VAL A 91 97.408 7.427 7.560 1.00 0.00 C ATOM 1406 C VAL A 91 96.330 7.841 8.578 1.00 0.00 C ATOM 1407 O VAL A 91 96.051 7.137 9.527 1.00 0.00 O ATOM 1408 CB VAL A 91 98.176 8.669 7.122 1.00 0.00 C ATOM 1409 CG1 VAL A 91 98.718 9.393 8.352 1.00 0.00 C ATOM 1410 CG2 VAL A 91 99.337 8.290 6.196 1.00 0.00 C ATOM 0 H VAL A 91 97.218 6.009 5.968 1.00 0.00 H new ATOM 0 HA VAL A 91 98.085 6.704 8.014 1.00 0.00 H new ATOM 0 HB VAL A 91 97.497 9.325 6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 91 99.267 10.281 8.039 1.00 0.00 H new ATOM 0 HG12 VAL A 91 97.889 9.687 8.996 1.00 0.00 H new ATOM 0 HG13 VAL A 91 99.385 8.728 8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 91 99.872 9.191 5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 91 100.019 7.622 6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 91 98.947 7.787 5.311 1.00 0.00 H new ATOM 1420 N GLN A 92 95.720 8.985 8.375 1.00 0.00 N ATOM 1421 CA GLN A 92 94.653 9.457 9.304 1.00 0.00 C ATOM 1422 C GLN A 92 95.269 10.176 10.505 1.00 0.00 C ATOM 1423 O GLN A 92 96.468 10.169 10.702 1.00 0.00 O ATOM 1424 CB GLN A 92 93.845 8.263 9.804 1.00 0.00 C ATOM 1425 CG GLN A 92 92.396 8.692 10.029 1.00 0.00 C ATOM 1426 CD GLN A 92 91.634 8.647 8.703 1.00 0.00 C ATOM 1427 OE1 GLN A 92 91.306 9.673 8.143 1.00 0.00 O ATOM 1428 NE2 GLN A 92 91.330 7.491 8.178 1.00 0.00 N ATOM 0 H GLN A 92 95.920 9.615 7.598 1.00 0.00 H new ATOM 0 HA GLN A 92 94.005 10.149 8.765 1.00 0.00 H new ATOM 0 HB2 GLN A 92 93.887 7.451 9.078 1.00 0.00 H new ATOM 0 HB3 GLN A 92 94.272 7.883 10.732 1.00 0.00 H new ATOM 0 HG2 GLN A 92 91.920 8.034 10.756 1.00 0.00 H new ATOM 0 HG3 GLN A 92 92.365 9.700 10.444 1.00 0.00 H new ATOM 0 HE21 GLN A 92 91.606 6.629 8.648 1.00 0.00 H new ATOM 0 HE22 GLN A 92 90.817 7.450 7.297 1.00 0.00 H new ATOM 1437 N HIS A 93 94.448 10.787 11.321 1.00 0.00 N ATOM 1438 CA HIS A 93 94.981 11.488 12.522 1.00 0.00 C ATOM 1439 C HIS A 93 95.688 10.465 13.410 1.00 0.00 C ATOM 1440 O HIS A 93 96.717 10.742 13.994 1.00 0.00 O ATOM 1441 CB HIS A 93 93.840 12.149 13.302 1.00 0.00 C ATOM 1442 CG HIS A 93 93.314 13.325 12.523 1.00 0.00 C ATOM 1443 ND1 HIS A 93 92.183 13.243 11.726 1.00 0.00 N ATOM 1444 CD2 HIS A 93 93.756 14.621 12.411 1.00 0.00 C ATOM 1445 CE1 HIS A 93 91.985 14.455 11.173 1.00 0.00 C ATOM 1446 NE2 HIS A 93 92.916 15.333 11.559 1.00 0.00 N ATOM 0 H HIS A 93 93.435 10.829 11.206 1.00 0.00 H new ATOM 0 HA HIS A 93 95.681 12.263 12.211 1.00 0.00 H new ATOM 0 HB2 HIS A 93 93.041 11.429 13.478 1.00 0.00 H new ATOM 0 HB3 HIS A 93 94.195 12.476 14.279 1.00 0.00 H new ATOM 0 HD2 HIS A 93 94.624 15.026 12.909 1.00 0.00 H new ATOM 0 HE1 HIS A 93 91.173 14.689 10.500 1.00 0.00 H new ATOM 0 HE2 HIS A 93 92.994 16.313 11.288 1.00 0.00 H new ATOM 1454 N ASN A 94 95.152 9.271 13.505 1.00 0.00 N ATOM 1455 CA ASN A 94 95.808 8.231 14.343 1.00 0.00 C ATOM 1456 C ASN A 94 97.223 8.036 13.815 1.00 0.00 C ATOM 1457 O ASN A 94 98.086 7.512 14.488 1.00 0.00 O ATOM 1458 CB ASN A 94 95.044 6.908 14.244 1.00 0.00 C ATOM 1459 CG ASN A 94 93.664 7.061 14.876 1.00 0.00 C ATOM 1460 OD1 ASN A 94 93.525 7.674 15.915 1.00 0.00 O ATOM 1461 ND2 ASN A 94 92.630 6.519 14.291 1.00 0.00 N ATOM 0 H ASN A 94 94.293 8.978 13.039 1.00 0.00 H new ATOM 0 HA ASN A 94 95.819 8.545 15.387 1.00 0.00 H new ATOM 0 HB2 ASN A 94 94.945 6.612 13.200 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.600 6.118 14.749 1.00 0.00 H new ATOM 0 HD21 ASN A 94 91.703 6.610 14.707 1.00 0.00 H new ATOM 0 HD22 ASN A 94 92.749 6.005 13.418 1.00 0.00 H new ATOM 1468 N ASP A 95 97.454 8.475 12.606 1.00 0.00 N ATOM 1469 CA ASP A 95 98.805 8.358 11.993 1.00 0.00 C ATOM 1470 C ASP A 95 99.223 6.891 11.874 1.00 0.00 C ATOM 1471 O ASP A 95 100.398 6.589 11.805 1.00 0.00 O ATOM 1472 CB ASP A 95 99.820 9.103 12.866 1.00 0.00 C ATOM 1473 CG ASP A 95 99.571 10.607 12.765 1.00 0.00 C ATOM 1474 OD1 ASP A 95 98.873 11.011 11.849 1.00 0.00 O ATOM 1475 OD2 ASP A 95 100.081 11.329 13.604 1.00 0.00 O ATOM 0 H ASP A 95 96.752 8.915 12.011 1.00 0.00 H new ATOM 0 HA ASP A 95 98.774 8.793 10.994 1.00 0.00 H new ATOM 0 HB2 ASP A 95 99.732 8.778 13.903 1.00 0.00 H new ATOM 0 HB3 ASP A 95 100.834 8.869 12.543 1.00 0.00 H new ATOM 1480 N SER A 96 98.296 5.968 11.847 1.00 0.00 N ATOM 1481 CA SER A 96 98.712 4.544 11.731 1.00 0.00 C ATOM 1482 C SER A 96 97.874 3.806 10.683 1.00 0.00 C ATOM 1483 O SER A 96 97.952 2.601 10.555 1.00 0.00 O ATOM 1484 CB SER A 96 98.581 3.859 13.090 1.00 0.00 C ATOM 1485 OG SER A 96 99.342 4.578 14.053 1.00 0.00 O ATOM 0 H SER A 96 97.291 6.135 11.899 1.00 0.00 H new ATOM 0 HA SER A 96 99.753 4.514 11.408 1.00 0.00 H new ATOM 0 HB2 SER A 96 97.534 3.821 13.392 1.00 0.00 H new ATOM 0 HB3 SER A 96 98.933 2.829 13.027 1.00 0.00 H new ATOM 0 HG SER A 96 98.900 5.431 14.249 1.00 0.00 H new ATOM 1491 N LEU A 97 97.117 4.512 9.901 1.00 0.00 N ATOM 1492 CA LEU A 97 96.324 3.840 8.834 1.00 0.00 C ATOM 1493 C LEU A 97 97.045 4.119 7.533 1.00 0.00 C ATOM 1494 O LEU A 97 96.464 4.517 6.543 1.00 0.00 O ATOM 1495 CB LEU A 97 94.898 4.397 8.781 1.00 0.00 C ATOM 1496 CG LEU A 97 94.155 4.018 10.063 1.00 0.00 C ATOM 1497 CD1 LEU A 97 94.096 5.222 11.007 1.00 0.00 C ATOM 1498 CD2 LEU A 97 92.733 3.573 9.711 1.00 0.00 C ATOM 0 H LEU A 97 97.010 5.525 9.951 1.00 0.00 H new ATOM 0 HA LEU A 97 96.241 2.770 9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 97 94.923 5.481 8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 97 94.373 4.000 7.912 1.00 0.00 H new ATOM 0 HG LEU A 97 94.683 3.203 10.558 1.00 0.00 H new ATOM 0 HD11 LEU A 97 93.565 4.945 11.918 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.109 5.537 11.259 1.00 0.00 H new ATOM 0 HD13 LEU A 97 93.572 6.043 10.517 1.00 0.00 H new ATOM 0 HD21 LEU A 97 92.200 3.302 10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 97 92.209 4.389 9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 97 92.776 2.711 9.046 1.00 0.00 H new ATOM 1510 N ASN A 98 98.331 3.942 7.558 1.00 0.00 N ATOM 1511 CA ASN A 98 99.153 4.223 6.366 1.00 0.00 C ATOM 1512 C ASN A 98 99.018 3.075 5.375 1.00 0.00 C ATOM 1513 O ASN A 98 99.953 2.345 5.113 1.00 0.00 O ATOM 1514 CB ASN A 98 100.598 4.353 6.815 1.00 0.00 C ATOM 1515 CG ASN A 98 100.703 5.427 7.896 1.00 0.00 C ATOM 1516 OD1 ASN A 98 100.256 6.537 7.713 1.00 0.00 O ATOM 1517 ND2 ASN A 98 101.275 5.133 9.031 1.00 0.00 N ATOM 0 H ASN A 98 98.852 3.609 8.369 1.00 0.00 H new ATOM 0 HA ASN A 98 98.826 5.143 5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 98 100.957 3.399 7.200 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.231 4.613 5.967 1.00 0.00 H new ATOM 0 HD21 ASN A 98 101.346 5.838 9.764 1.00 0.00 H new ATOM 0 HD22 ASN A 98 101.652 4.198 9.185 1.00 0.00 H new ATOM 1524 N VAL A 99 97.855 2.926 4.820 1.00 0.00 N ATOM 1525 CA VAL A 99 97.623 1.844 3.838 1.00 0.00 C ATOM 1526 C VAL A 99 96.921 2.443 2.626 1.00 0.00 C ATOM 1527 O VAL A 99 96.315 3.492 2.706 1.00 0.00 O ATOM 1528 CB VAL A 99 96.735 0.773 4.468 1.00 0.00 C ATOM 1529 CG1 VAL A 99 95.440 1.417 4.954 1.00 0.00 C ATOM 1530 CG2 VAL A 99 96.408 -0.307 3.436 1.00 0.00 C ATOM 0 H VAL A 99 97.045 3.517 5.008 1.00 0.00 H new ATOM 0 HA VAL A 99 98.569 1.392 3.538 1.00 0.00 H new ATOM 0 HB VAL A 99 97.260 0.318 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 99 94.802 0.657 5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 99 95.670 2.183 5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 99 94.921 1.872 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 99 95.774 -1.067 3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 99 95.884 0.143 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 99 97.332 -0.767 3.086 1.00 0.00 H new ATOM 1540 N THR A 100 96.995 1.792 1.507 1.00 0.00 N ATOM 1541 CA THR A 100 96.328 2.336 0.299 1.00 0.00 C ATOM 1542 C THR A 100 95.144 1.442 -0.053 1.00 0.00 C ATOM 1543 O THR A 100 95.142 0.260 0.216 1.00 0.00 O ATOM 1544 CB THR A 100 97.316 2.345 -0.871 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.613 1.007 -1.244 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.608 3.054 -0.461 1.00 0.00 C ATOM 0 H THR A 100 97.487 0.908 1.375 1.00 0.00 H new ATOM 0 HA THR A 100 95.986 3.353 0.493 1.00 0.00 H new ATOM 0 HB THR A 100 96.869 2.875 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 100 98.244 1.009 -1.994 1.00 0.00 H new ATOM 0 HG21 THR A 100 99.304 3.055 -1.300 1.00 0.00 H new ATOM 0 HG22 THR A 100 98.384 4.081 -0.174 1.00 0.00 H new ATOM 0 HG23 THR A 100 99.058 2.531 0.383 1.00 0.00 H new ATOM 1554 N LEU A 101 94.150 1.985 -0.677 1.00 0.00 N ATOM 1555 CA LEU A 101 92.983 1.152 -1.069 1.00 0.00 C ATOM 1556 C LEU A 101 93.242 0.677 -2.495 1.00 0.00 C ATOM 1557 O LEU A 101 92.339 0.498 -3.284 1.00 0.00 O ATOM 1558 CB LEU A 101 91.718 2.014 -1.048 1.00 0.00 C ATOM 1559 CG LEU A 101 91.479 2.576 0.353 1.00 0.00 C ATOM 1560 CD1 LEU A 101 90.234 3.469 0.329 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.262 1.430 1.344 1.00 0.00 C ATOM 0 H LEU A 101 94.090 2.970 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 101 92.850 0.311 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.815 2.831 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 101 90.860 1.419 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 101 92.348 3.157 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 101 90.057 3.874 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 101 90.387 4.288 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.371 2.881 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 101 91.092 1.838 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.395 0.845 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.144 0.790 1.359 1.00 0.00 H new ATOM 1573 N ALA A 102 94.495 0.516 -2.828 1.00 0.00 N ATOM 1574 CA ALA A 102 94.883 0.116 -4.216 1.00 0.00 C ATOM 1575 C ALA A 102 94.650 -1.373 -4.494 1.00 0.00 C ATOM 1576 O ALA A 102 94.782 -1.813 -5.619 1.00 0.00 O ATOM 1577 CB ALA A 102 96.365 0.440 -4.413 1.00 0.00 C ATOM 0 H ALA A 102 95.279 0.646 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 102 94.255 0.671 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 102 96.669 0.156 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 102 96.525 1.509 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 102 96.958 -0.114 -3.685 1.00 0.00 H new ATOM 1583 N TYR A 103 94.333 -2.166 -3.509 1.00 0.00 N ATOM 1584 CA TYR A 103 94.139 -3.618 -3.794 1.00 0.00 C ATOM 1585 C TYR A 103 92.734 -4.090 -3.393 1.00 0.00 C ATOM 1586 O TYR A 103 92.457 -4.315 -2.237 1.00 0.00 O ATOM 1587 CB TYR A 103 95.184 -4.416 -3.010 1.00 0.00 C ATOM 1588 CG TYR A 103 96.552 -4.195 -3.612 1.00 0.00 C ATOM 1589 CD1 TYR A 103 96.908 -4.849 -4.796 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.466 -3.343 -2.983 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.177 -4.649 -5.354 1.00 0.00 C ATOM 1592 CE2 TYR A 103 98.735 -3.142 -3.539 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.091 -3.795 -4.724 1.00 0.00 C ATOM 1594 OH TYR A 103 100.341 -3.598 -5.274 1.00 0.00 O ATOM 0 H TYR A 103 94.202 -1.882 -2.538 1.00 0.00 H new ATOM 0 HA TYR A 103 94.253 -3.778 -4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.182 -4.107 -1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 103 94.935 -5.477 -3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.204 -5.509 -5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.192 -2.840 -2.067 1.00 0.00 H new ATOM 0 HE1 TYR A 103 98.450 -5.153 -6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.439 -2.483 -3.053 1.00 0.00 H new ATOM 0 HH TYR A 103 100.851 -2.976 -4.714 1.00 0.00 H new ATOM 1604 N PRO A 104 91.856 -4.281 -4.344 1.00 0.00 N ATOM 1605 CA PRO A 104 90.484 -4.786 -4.062 1.00 0.00 C ATOM 1606 C PRO A 104 90.537 -6.174 -3.420 1.00 0.00 C ATOM 1607 O PRO A 104 91.534 -6.864 -3.499 1.00 0.00 O ATOM 1608 CB PRO A 104 89.806 -4.861 -5.429 1.00 0.00 C ATOM 1609 CG PRO A 104 90.643 -4.040 -6.351 1.00 0.00 C ATOM 1610 CD PRO A 104 92.059 -4.028 -5.776 1.00 0.00 C ATOM 0 HA PRO A 104 89.948 -4.140 -3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.741 -5.892 -5.776 1.00 0.00 H new ATOM 0 HB3 PRO A 104 88.787 -4.476 -5.381 1.00 0.00 H new ATOM 0 HG2 PRO A 104 90.638 -4.463 -7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 104 90.250 -3.026 -6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 104 92.683 -4.795 -6.234 1.00 0.00 H new ATOM 0 HD3 PRO A 104 92.553 -3.071 -5.947 1.00 0.00 H new ATOM 1618 N VAL A 105 89.483 -6.584 -2.778 1.00 0.00 N ATOM 1619 CA VAL A 105 89.487 -7.922 -2.126 1.00 0.00 C ATOM 1620 C VAL A 105 89.121 -9.003 -3.155 1.00 0.00 C ATOM 1621 O VAL A 105 89.454 -10.162 -2.999 1.00 0.00 O ATOM 1622 CB VAL A 105 88.489 -7.910 -0.966 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.065 -7.814 -1.509 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.633 -9.187 -0.140 1.00 0.00 C ATOM 0 H VAL A 105 88.619 -6.052 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 105 90.480 -8.148 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 105 88.695 -7.047 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.359 -7.806 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 105 86.957 -6.896 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.861 -8.672 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.919 -9.170 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 105 88.437 -10.053 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.645 -9.250 0.259 1.00 0.00 H new ATOM 1634 N TYR A 106 88.445 -8.630 -4.213 1.00 0.00 N ATOM 1635 CA TYR A 106 88.068 -9.631 -5.256 1.00 0.00 C ATOM 1636 C TYR A 106 88.848 -9.371 -6.546 1.00 0.00 C ATOM 1637 O TYR A 106 88.355 -9.584 -7.635 1.00 0.00 O ATOM 1638 CB TYR A 106 86.566 -9.563 -5.534 1.00 0.00 C ATOM 1639 CG TYR A 106 85.839 -10.439 -4.542 1.00 0.00 C ATOM 1640 CD1 TYR A 106 85.904 -11.832 -4.672 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.107 -9.869 -3.494 1.00 0.00 C ATOM 1642 CE1 TYR A 106 85.236 -12.653 -3.755 1.00 0.00 C ATOM 1643 CE2 TYR A 106 84.442 -10.690 -2.577 1.00 0.00 C ATOM 1644 CZ TYR A 106 84.504 -12.081 -2.708 1.00 0.00 C ATOM 1645 OH TYR A 106 83.849 -12.891 -1.801 1.00 0.00 O ATOM 0 H TYR A 106 88.138 -7.675 -4.399 1.00 0.00 H new ATOM 0 HA TYR A 106 88.316 -10.627 -4.888 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.215 -8.534 -5.455 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.357 -9.893 -6.551 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.469 -12.273 -5.480 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.056 -8.795 -3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.286 -13.727 -3.856 1.00 0.00 H new ATOM 0 HE2 TYR A 106 83.880 -10.249 -1.767 1.00 0.00 H new ATOM 0 HH TYR A 106 83.390 -12.335 -1.138 1.00 0.00 H new ATOM 1655 N ALA A 107 90.068 -8.923 -6.431 1.00 0.00 N ATOM 1656 CA ALA A 107 90.888 -8.661 -7.648 1.00 0.00 C ATOM 1657 C ALA A 107 91.199 -9.991 -8.346 1.00 0.00 C ATOM 1658 O ALA A 107 91.258 -11.030 -7.721 1.00 0.00 O ATOM 1659 CB ALA A 107 92.197 -7.987 -7.238 1.00 0.00 C ATOM 0 H ALA A 107 90.533 -8.727 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 107 90.338 -8.011 -8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.800 -7.793 -8.125 1.00 0.00 H new ATOM 0 HB2 ALA A 107 91.979 -7.045 -6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.747 -8.641 -6.561 1.00 0.00 H new