USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 736 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 20 HIS : no HD1:sc= -4.68! C(o=-5.8!,f=-6.2!) USER MOD Set 1.2: A 21 SER OG : rot 77:sc= -1.13 USER MOD Single : A 1 ALA N :NH3+ 177:sc= 0 (180deg=-0.0107) USER MOD Single : A 2 GLN : amide:sc= -2.53 K(o=-2.5,f=-3.3!) USER MOD Single : A 4 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.72) USER MOD Single : A 9 SER OG : rot 54:sc= 1.26 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.51) USER MOD Single : A 16 GLN : amide:sc= -0.425 K(o=-0.42,f=-1.7!) USER MOD Single : A 17 TYR OH : rot 171:sc= -3.52! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0633 USER MOD Single : A 32 THR OG1 : rot 86:sc= 0.537 USER MOD Single : A 35 LYS NZ :NH3+ -107:sc= 0.119 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 45:sc= -0.271 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.003) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.067) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= -0.104 (180deg=-0.701) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.019) USER MOD Single : A 68 SER OG : rot 180:sc= 0.186 USER MOD Single : A 70 THR OG1 : rot 42:sc= 1.23 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0421 USER MOD Single : A 95 ASN : amide:sc= 0.396 K(o=0.4,f=-2.3!) USER MOD Single : A 99 HIS : no HD1:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.15) USER MOD Single : A 101 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.065) USER MOD Single : A 102 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.35) USER MOD Single : A 103 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.7) USER MOD Single : A 104 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.436 0.115 -0.369 1.00 0.00 N ATOM 2 CA ALA A 1 2.239 0.051 -1.584 1.00 0.00 C ATOM 3 C ALA A 1 2.370 -1.385 -2.081 1.00 0.00 C ATOM 4 O ALA A 1 3.136 -2.174 -1.528 1.00 0.00 O ATOM 5 CB ALA A 1 3.614 0.656 -1.341 1.00 0.00 C ATOM 0 H1 ALA A 1 1.405 1.096 -0.024 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.470 -0.210 -0.574 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.859 -0.495 0.359 1.00 0.00 H new ATOM 0 HA ALA A 1 1.732 0.629 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.203 0.601 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.505 1.698 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.121 0.102 -0.551 1.00 0.00 H new ATOM 11 N GLN A 2 1.619 -1.716 -3.126 1.00 0.00 N ATOM 12 CA GLN A 2 1.652 -3.058 -3.695 1.00 0.00 C ATOM 13 C GLN A 2 3.057 -3.415 -4.166 1.00 0.00 C ATOM 14 O GLN A 2 3.631 -2.734 -5.016 1.00 0.00 O ATOM 15 CB GLN A 2 0.668 -3.164 -4.862 1.00 0.00 C ATOM 16 CG GLN A 2 0.735 -4.494 -5.595 1.00 0.00 C ATOM 17 CD GLN A 2 0.238 -5.651 -4.751 1.00 0.00 C ATOM 18 OE1 GLN A 2 -0.799 -5.556 -4.095 1.00 0.00 O ATOM 19 NE2 GLN A 2 0.978 -6.754 -4.764 1.00 0.00 N ATOM 0 H GLN A 2 0.981 -1.074 -3.596 1.00 0.00 H new ATOM 0 HA GLN A 2 1.359 -3.763 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.345 -3.016 -4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.867 -2.359 -5.569 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.141 -4.433 -6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.764 -4.686 -5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.831 -6.789 -5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.693 -7.566 -4.216 1.00 0.00 H new ATOM 28 N VAL A 3 3.608 -4.488 -3.607 1.00 0.00 N ATOM 29 CA VAL A 3 4.947 -4.937 -3.970 1.00 0.00 C ATOM 30 C VAL A 3 4.991 -6.450 -4.144 1.00 0.00 C ATOM 31 O VAL A 3 4.654 -7.201 -3.230 1.00 0.00 O ATOM 32 CB VAL A 3 5.985 -4.523 -2.909 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.358 -5.073 -3.262 1.00 0.00 C ATOM 34 CG2 VAL A 3 6.028 -3.009 -2.768 1.00 0.00 C ATOM 0 H VAL A 3 3.148 -5.062 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 3 5.195 -4.458 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 3 5.687 -4.946 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.078 -4.770 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.314 -6.161 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.668 -4.682 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.766 -2.735 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.302 -2.562 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.047 -2.644 -2.464 1.00 0.00 H new ATOM 44 N ASN A 4 5.409 -6.892 -5.326 1.00 0.00 N ATOM 45 CA ASN A 4 5.497 -8.318 -5.622 1.00 0.00 C ATOM 46 C ASN A 4 6.936 -8.722 -5.929 1.00 0.00 C ATOM 47 O ASN A 4 7.496 -8.328 -6.953 1.00 0.00 O ATOM 48 CB ASN A 4 4.593 -8.672 -6.803 1.00 0.00 C ATOM 49 CG ASN A 4 4.543 -7.570 -7.844 1.00 0.00 C ATOM 50 OD1 ASN A 4 3.889 -6.546 -7.649 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.237 -7.777 -8.957 1.00 0.00 N ATOM 0 H ASN A 4 5.692 -6.284 -6.094 1.00 0.00 H new ATOM 0 HA ASN A 4 5.164 -8.867 -4.741 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.950 -9.591 -7.268 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.585 -8.870 -6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.242 -7.071 -9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.765 -8.642 -9.075 1.00 0.00 H new ATOM 58 N ILE A 5 7.527 -9.509 -5.037 1.00 0.00 N ATOM 59 CA ILE A 5 8.900 -9.968 -5.214 1.00 0.00 C ATOM 60 C ILE A 5 8.974 -11.491 -5.220 1.00 0.00 C ATOM 61 O ILE A 5 8.328 -12.157 -4.412 1.00 0.00 O ATOM 62 CB ILE A 5 9.822 -9.424 -4.108 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.786 -7.894 -4.089 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.245 -9.923 -4.311 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.224 -7.295 -2.771 1.00 0.00 C ATOM 0 H ILE A 5 7.077 -9.842 -4.184 1.00 0.00 H new ATOM 0 HA ILE A 5 9.239 -9.587 -6.177 1.00 0.00 H new ATOM 0 HB ILE A 5 9.463 -9.789 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.429 -7.514 -4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.773 -7.560 -4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.885 -9.530 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.257 -11.012 -4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.615 -9.585 -5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.173 -6.208 -2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.567 -7.646 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.248 -7.599 -2.556 1.00 0.00 H new ATOM 77 N ALA A 6 9.768 -12.036 -6.136 1.00 0.00 N ATOM 78 CA ALA A 6 9.931 -13.480 -6.244 1.00 0.00 C ATOM 79 C ALA A 6 11.052 -13.976 -5.337 1.00 0.00 C ATOM 80 O ALA A 6 12.152 -13.422 -5.310 1.00 0.00 O ATOM 81 CB ALA A 6 10.204 -13.874 -7.688 1.00 0.00 C ATOM 0 H ALA A 6 10.308 -11.499 -6.814 1.00 0.00 H new ATOM 0 HA ALA A 6 9.003 -13.950 -5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.324 -14.955 -7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.368 -13.563 -8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.116 -13.387 -8.032 1.00 0.00 H new ATOM 87 N PRO A 7 10.771 -15.043 -4.576 1.00 0.00 N ATOM 88 CA PRO A 7 11.744 -15.637 -3.654 1.00 0.00 C ATOM 89 C PRO A 7 12.884 -16.337 -4.386 1.00 0.00 C ATOM 90 O PRO A 7 13.100 -16.114 -5.576 1.00 0.00 O ATOM 91 CB PRO A 7 10.912 -16.651 -2.865 1.00 0.00 C ATOM 92 CG PRO A 7 9.781 -17.000 -3.770 1.00 0.00 C ATOM 93 CD PRO A 7 9.481 -15.754 -4.557 1.00 0.00 C ATOM 0 HA PRO A 7 12.227 -14.884 -3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.500 -17.532 -2.609 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.552 -16.225 -1.928 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.050 -17.824 -4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.909 -17.321 -3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.136 -15.988 -5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.701 -15.158 -4.084 1.00 0.00 H new ATOM 101 N GLY A 8 13.611 -17.186 -3.665 1.00 0.00 N ATOM 102 CA GLY A 8 14.720 -17.906 -4.263 1.00 0.00 C ATOM 103 C GLY A 8 16.065 -17.331 -3.868 1.00 0.00 C ATOM 104 O GLY A 8 17.103 -17.757 -4.374 1.00 0.00 O ATOM 0 H GLY A 8 13.451 -17.388 -2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.674 -18.953 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.622 -17.881 -5.348 1.00 0.00 H new ATOM 108 N SER A 9 16.048 -16.358 -2.962 1.00 0.00 N ATOM 109 CA SER A 9 17.276 -15.720 -2.503 1.00 0.00 C ATOM 110 C SER A 9 16.973 -14.635 -1.473 1.00 0.00 C ATOM 111 O SER A 9 16.416 -13.587 -1.804 1.00 0.00 O ATOM 112 CB SER A 9 18.036 -15.117 -3.686 1.00 0.00 C ATOM 113 OG SER A 9 18.996 -16.028 -4.193 1.00 0.00 O ATOM 0 H SER A 9 15.198 -15.995 -2.532 1.00 0.00 H new ATOM 0 HA SER A 9 17.897 -16.482 -2.031 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.333 -14.848 -4.475 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.532 -14.198 -3.373 1.00 0.00 H new ATOM 0 HG SER A 9 18.560 -16.880 -4.402 1.00 0.00 H new ATOM 119 N LEU A 10 17.343 -14.895 -0.224 1.00 0.00 N ATOM 120 CA LEU A 10 17.111 -13.941 0.856 1.00 0.00 C ATOM 121 C LEU A 10 17.786 -12.607 0.558 1.00 0.00 C ATOM 122 O LEU A 10 17.178 -11.546 0.704 1.00 0.00 O ATOM 123 CB LEU A 10 17.630 -14.505 2.180 1.00 0.00 C ATOM 124 CG LEU A 10 17.149 -13.795 3.446 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.338 -14.688 4.663 1.00 0.00 C ATOM 126 CD2 LEU A 10 17.884 -12.476 3.630 1.00 0.00 C ATOM 0 H LEU A 10 17.804 -15.757 0.066 1.00 0.00 H new ATOM 0 HA LEU A 10 16.037 -13.773 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.341 -15.554 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.719 -14.475 2.162 1.00 0.00 H new ATOM 0 HG LEU A 10 16.085 -13.582 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 10 16.990 -14.166 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.765 -15.606 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.394 -14.932 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.529 -11.985 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.954 -12.665 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.697 -11.832 2.771 1.00 0.00 H new ATOM 138 N ASP A 11 19.045 -12.667 0.139 1.00 0.00 N ATOM 139 CA ASP A 11 19.803 -11.463 -0.182 1.00 0.00 C ATOM 140 C ASP A 11 19.078 -10.631 -1.235 1.00 0.00 C ATOM 141 O ASP A 11 18.925 -9.418 -1.086 1.00 0.00 O ATOM 142 CB ASP A 11 21.201 -11.832 -0.680 1.00 0.00 C ATOM 143 CG ASP A 11 21.842 -10.720 -1.486 1.00 0.00 C ATOM 144 OD1 ASP A 11 22.099 -9.642 -0.910 1.00 0.00 O ATOM 145 OD2 ASP A 11 22.084 -10.926 -2.694 1.00 0.00 O ATOM 0 H ASP A 11 19.563 -13.537 0.014 1.00 0.00 H new ATOM 0 HA ASP A 11 19.895 -10.868 0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.836 -12.070 0.173 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.139 -12.731 -1.293 1.00 0.00 H new ATOM 150 N LYS A 12 18.635 -11.289 -2.301 1.00 0.00 N ATOM 151 CA LYS A 12 17.927 -10.611 -3.380 1.00 0.00 C ATOM 152 C LYS A 12 16.583 -10.076 -2.896 1.00 0.00 C ATOM 153 O LYS A 12 16.247 -8.915 -3.129 1.00 0.00 O ATOM 154 CB LYS A 12 17.714 -11.566 -4.557 1.00 0.00 C ATOM 155 CG LYS A 12 16.315 -11.503 -5.145 1.00 0.00 C ATOM 156 CD LYS A 12 16.222 -12.284 -6.446 1.00 0.00 C ATOM 157 CE LYS A 12 15.048 -13.251 -6.432 1.00 0.00 C ATOM 158 NZ LYS A 12 14.290 -13.222 -7.714 1.00 0.00 N ATOM 0 H LYS A 12 18.754 -12.292 -2.441 1.00 0.00 H new ATOM 0 HA LYS A 12 18.536 -9.769 -3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.438 -11.334 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.915 -12.585 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.599 -11.903 -4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 12 16.040 -10.463 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.114 -11.591 -7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.148 -12.836 -6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.412 -14.262 -6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.379 -12.999 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.498 -13.894 -7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.921 -12.264 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.921 -13.488 -8.497 1.00 0.00 H new ATOM 172 N ALA A 13 15.819 -10.929 -2.222 1.00 0.00 N ATOM 173 CA ALA A 13 14.514 -10.540 -1.702 1.00 0.00 C ATOM 174 C ALA A 13 14.620 -9.296 -0.828 1.00 0.00 C ATOM 175 O ALA A 13 13.669 -8.520 -0.717 1.00 0.00 O ATOM 176 CB ALA A 13 13.895 -11.688 -0.918 1.00 0.00 C ATOM 0 H ALA A 13 16.081 -11.894 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 13 13.869 -10.303 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.921 -11.384 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.774 -12.552 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.546 -11.952 -0.084 1.00 0.00 H new ATOM 182 N LEU A 14 15.780 -9.110 -0.209 1.00 0.00 N ATOM 183 CA LEU A 14 16.010 -7.959 0.657 1.00 0.00 C ATOM 184 C LEU A 14 16.133 -6.678 -0.161 1.00 0.00 C ATOM 185 O LEU A 14 15.401 -5.715 0.061 1.00 0.00 O ATOM 186 CB LEU A 14 17.275 -8.168 1.492 1.00 0.00 C ATOM 187 CG LEU A 14 18.046 -6.903 1.870 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.178 -5.980 2.711 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.324 -7.260 2.614 1.00 0.00 C ATOM 0 H LEU A 14 16.577 -9.742 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 14 15.154 -7.861 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.999 -8.689 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.946 -8.827 0.940 1.00 0.00 H new ATOM 0 HG LEU A 14 18.317 -6.378 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.744 -5.085 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.291 -5.697 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.876 -6.495 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.860 -6.348 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.075 -7.807 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.954 -7.881 1.978 1.00 0.00 H new ATOM 201 N ASN A 15 17.062 -6.676 -1.111 1.00 0.00 N ATOM 202 CA ASN A 15 17.280 -5.514 -1.965 1.00 0.00 C ATOM 203 C ASN A 15 16.016 -5.170 -2.748 1.00 0.00 C ATOM 204 O ASN A 15 15.757 -4.004 -3.045 1.00 0.00 O ATOM 205 CB ASN A 15 18.437 -5.774 -2.932 1.00 0.00 C ATOM 206 CG ASN A 15 17.959 -6.073 -4.340 1.00 0.00 C ATOM 207 OD1 ASN A 15 17.821 -5.169 -5.165 1.00 0.00 O ATOM 208 ND2 ASN A 15 17.702 -7.345 -4.620 1.00 0.00 N ATOM 0 H ASN A 15 17.676 -7.466 -1.309 1.00 0.00 H new ATOM 0 HA ASN A 15 17.533 -4.668 -1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.093 -4.904 -2.951 1.00 0.00 H new ATOM 0 HB3 ASN A 15 19.030 -6.612 -2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.376 -7.607 -5.550 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.831 -8.061 -3.905 1.00 0.00 H new ATOM 215 N GLN A 16 15.235 -6.193 -3.079 1.00 0.00 N ATOM 216 CA GLN A 16 13.999 -5.998 -3.827 1.00 0.00 C ATOM 217 C GLN A 16 13.041 -5.084 -3.069 1.00 0.00 C ATOM 218 O GLN A 16 12.602 -4.060 -3.591 1.00 0.00 O ATOM 219 CB GLN A 16 13.327 -7.345 -4.102 1.00 0.00 C ATOM 220 CG GLN A 16 14.140 -8.256 -5.007 1.00 0.00 C ATOM 221 CD GLN A 16 13.654 -8.238 -6.443 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.883 -7.363 -6.839 1.00 0.00 O ATOM 223 NE2 GLN A 16 14.103 -9.207 -7.233 1.00 0.00 N ATOM 0 H GLN A 16 15.436 -7.164 -2.841 1.00 0.00 H new ATOM 0 HA GLN A 16 14.250 -5.524 -4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.149 -7.853 -3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.353 -7.169 -4.558 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.186 -7.951 -4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.094 -9.276 -4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.741 -9.912 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.810 -9.246 -8.209 1.00 0.00 H new ATOM 232 N TYR A 17 12.722 -5.462 -1.837 1.00 0.00 N ATOM 233 CA TYR A 17 11.815 -4.678 -1.007 1.00 0.00 C ATOM 234 C TYR A 17 12.500 -3.416 -0.494 1.00 0.00 C ATOM 235 O TYR A 17 11.870 -2.368 -0.353 1.00 0.00 O ATOM 236 CB TYR A 17 11.315 -5.516 0.171 1.00 0.00 C ATOM 237 CG TYR A 17 12.163 -5.378 1.415 1.00 0.00 C ATOM 238 CD1 TYR A 17 11.955 -4.335 2.309 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.171 -6.292 1.697 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.728 -4.205 3.446 1.00 0.00 C ATOM 241 CE2 TYR A 17 13.948 -6.171 2.833 1.00 0.00 C ATOM 242 CZ TYR A 17 13.723 -5.126 3.704 1.00 0.00 C ATOM 243 OH TYR A 17 14.494 -5.000 4.837 1.00 0.00 O ATOM 0 H TYR A 17 13.078 -6.307 -1.390 1.00 0.00 H new ATOM 0 HA TYR A 17 10.964 -4.383 -1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.291 -5.224 0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.288 -6.565 -0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.176 -3.614 2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.350 -7.111 1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.555 -3.387 4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.727 -6.891 3.038 1.00 0.00 H new ATOM 0 HH TYR A 17 15.047 -5.801 4.947 1.00 0.00 H new ATOM 253 N ALA A 18 13.795 -3.524 -0.216 1.00 0.00 N ATOM 254 CA ALA A 18 14.567 -2.392 0.279 1.00 0.00 C ATOM 255 C ALA A 18 14.560 -1.242 -0.723 1.00 0.00 C ATOM 256 O ALA A 18 14.592 -0.073 -0.340 1.00 0.00 O ATOM 257 CB ALA A 18 15.995 -2.820 0.584 1.00 0.00 C ATOM 0 H ALA A 18 14.331 -4.385 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 18 14.100 -2.040 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.560 -1.964 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.986 -3.603 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.463 -3.200 -0.324 1.00 0.00 H new ATOM 263 N ALA A 19 14.519 -1.582 -2.007 1.00 0.00 N ATOM 264 CA ALA A 19 14.507 -0.578 -3.063 1.00 0.00 C ATOM 265 C ALA A 19 13.132 0.069 -3.189 1.00 0.00 C ATOM 266 O ALA A 19 13.016 1.236 -3.566 1.00 0.00 O ATOM 267 CB ALA A 19 14.922 -1.201 -4.388 1.00 0.00 C ATOM 0 H ALA A 19 14.494 -2.545 -2.341 1.00 0.00 H new ATOM 0 HA ALA A 19 15.223 0.200 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.909 -0.440 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.928 -1.611 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.227 -1.999 -4.648 1.00 0.00 H new ATOM 273 N HIS A 20 12.091 -0.695 -2.871 1.00 0.00 N ATOM 274 CA HIS A 20 10.723 -0.195 -2.949 1.00 0.00 C ATOM 275 C HIS A 20 10.404 0.702 -1.756 1.00 0.00 C ATOM 276 O HIS A 20 9.550 1.584 -1.842 1.00 0.00 O ATOM 277 CB HIS A 20 9.735 -1.359 -3.005 1.00 0.00 C ATOM 278 CG HIS A 20 8.912 -1.507 -1.762 1.00 0.00 C ATOM 279 ND1 HIS A 20 7.828 -0.704 -1.477 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.019 -2.374 -0.728 1.00 0.00 C ATOM 281 CE1 HIS A 20 7.305 -1.069 -0.320 1.00 0.00 C ATOM 282 NE2 HIS A 20 8.009 -2.080 0.155 1.00 0.00 N ATOM 0 H HIS A 20 12.169 -1.662 -2.557 1.00 0.00 H new ATOM 0 HA HIS A 20 10.629 0.395 -3.861 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.070 -1.219 -3.857 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.285 -2.284 -3.179 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.760 -3.152 -0.618 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.447 -0.617 0.156 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.832 -2.564 1.035 1.00 0.00 H new ATOM 290 N SER A 21 11.095 0.469 -0.645 1.00 0.00 N ATOM 291 CA SER A 21 10.882 1.252 0.566 1.00 0.00 C ATOM 292 C SER A 21 11.646 2.571 0.501 1.00 0.00 C ATOM 293 O SER A 21 11.056 3.648 0.591 1.00 0.00 O ATOM 294 CB SER A 21 11.321 0.456 1.797 1.00 0.00 C ATOM 295 OG SER A 21 10.441 -0.627 2.044 1.00 0.00 O ATOM 0 H SER A 21 11.807 -0.256 -0.559 1.00 0.00 H new ATOM 0 HA SER A 21 9.817 1.472 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.333 0.080 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.349 1.112 2.667 1.00 0.00 H new ATOM 0 HG SER A 21 10.632 -1.354 1.415 1.00 0.00 H new ATOM 301 N GLY A 22 12.963 2.479 0.344 1.00 0.00 N ATOM 302 CA GLY A 22 13.787 3.671 0.270 1.00 0.00 C ATOM 303 C GLY A 22 14.616 3.882 1.521 1.00 0.00 C ATOM 304 O GLY A 22 14.980 5.011 1.852 1.00 0.00 O ATOM 0 H GLY A 22 13.474 1.600 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.449 3.598 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.149 4.540 0.110 1.00 0.00 H new ATOM 308 N PHE A 23 14.915 2.792 2.221 1.00 0.00 N ATOM 309 CA PHE A 23 15.705 2.863 3.445 1.00 0.00 C ATOM 310 C PHE A 23 16.910 1.930 3.369 1.00 0.00 C ATOM 311 O PHE A 23 17.026 1.119 2.450 1.00 0.00 O ATOM 312 CB PHE A 23 14.842 2.502 4.656 1.00 0.00 C ATOM 313 CG PHE A 23 14.681 1.022 4.857 1.00 0.00 C ATOM 314 CD1 PHE A 23 13.994 0.254 3.931 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.218 0.399 5.972 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.845 -1.108 4.115 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.072 -0.962 6.161 1.00 0.00 C ATOM 318 CZ PHE A 23 14.385 -1.717 5.230 1.00 0.00 C ATOM 0 H PHE A 23 14.622 1.850 1.962 1.00 0.00 H new ATOM 0 HA PHE A 23 16.066 3.886 3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.287 2.936 5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.857 2.954 4.538 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.570 0.724 3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.757 0.984 6.702 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.306 -1.696 3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.494 -1.435 7.035 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.271 -2.781 5.374 1.00 0.00 H new ATOM 328 N THR A 24 17.807 2.052 4.343 1.00 0.00 N ATOM 329 CA THR A 24 19.005 1.222 4.387 1.00 0.00 C ATOM 330 C THR A 24 18.891 0.149 5.464 1.00 0.00 C ATOM 331 O THR A 24 18.250 0.356 6.495 1.00 0.00 O ATOM 332 CB THR A 24 20.265 2.068 4.651 1.00 0.00 C ATOM 333 OG1 THR A 24 20.283 3.205 3.781 1.00 0.00 O ATOM 334 CG2 THR A 24 21.525 1.242 4.441 1.00 0.00 C ATOM 0 H THR A 24 17.726 2.717 5.112 1.00 0.00 H new ATOM 0 HA THR A 24 19.095 0.745 3.411 1.00 0.00 H new ATOM 0 HB THR A 24 20.239 2.405 5.687 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.086 3.738 3.956 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.402 1.860 4.633 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.522 0.394 5.125 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.555 0.879 3.414 1.00 0.00 H new ATOM 342 N LEU A 25 19.518 -0.996 5.220 1.00 0.00 N ATOM 343 CA LEU A 25 19.488 -2.103 6.170 1.00 0.00 C ATOM 344 C LEU A 25 20.859 -2.761 6.283 1.00 0.00 C ATOM 345 O LEU A 25 21.520 -3.018 5.277 1.00 0.00 O ATOM 346 CB LEU A 25 18.446 -3.138 5.745 1.00 0.00 C ATOM 347 CG LEU A 25 18.260 -4.329 6.686 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.994 -4.164 7.512 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.218 -5.630 5.898 1.00 0.00 C ATOM 0 H LEU A 25 20.054 -1.183 4.372 1.00 0.00 H new ATOM 0 HA LEU A 25 19.216 -1.703 7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.486 -2.634 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.721 -3.518 4.761 1.00 0.00 H new ATOM 0 HG LEU A 25 19.111 -4.366 7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.878 -5.021 8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.063 -3.252 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.132 -4.100 6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.085 -6.467 6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.386 -5.602 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.152 -5.754 5.351 1.00 0.00 H new ATOM 361 N SER A 26 21.280 -3.033 7.514 1.00 0.00 N ATOM 362 CA SER A 26 22.573 -3.660 7.759 1.00 0.00 C ATOM 363 C SER A 26 22.400 -5.017 8.434 1.00 0.00 C ATOM 364 O SER A 26 22.136 -5.097 9.634 1.00 0.00 O ATOM 365 CB SER A 26 23.448 -2.753 8.627 1.00 0.00 C ATOM 366 OG SER A 26 24.690 -2.489 7.999 1.00 0.00 O ATOM 0 H SER A 26 20.744 -2.829 8.357 1.00 0.00 H new ATOM 0 HA SER A 26 23.063 -3.812 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.927 -1.815 8.818 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.619 -3.225 9.594 1.00 0.00 H new ATOM 0 HG SER A 26 25.230 -1.906 8.573 1.00 0.00 H new ATOM 372 N VAL A 27 22.551 -6.083 7.654 1.00 0.00 N ATOM 373 CA VAL A 27 22.412 -7.437 8.176 1.00 0.00 C ATOM 374 C VAL A 27 23.573 -8.319 7.729 1.00 0.00 C ATOM 375 O VAL A 27 24.006 -8.258 6.579 1.00 0.00 O ATOM 376 CB VAL A 27 21.089 -8.081 7.722 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.903 -7.919 6.221 1.00 0.00 C ATOM 378 CG2 VAL A 27 21.047 -9.549 8.117 1.00 0.00 C ATOM 0 H VAL A 27 22.769 -6.035 6.659 1.00 0.00 H new ATOM 0 HA VAL A 27 22.415 -7.359 9.263 1.00 0.00 H new ATOM 0 HB VAL A 27 20.267 -7.570 8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.963 -8.380 5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.884 -6.859 5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.728 -8.402 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.105 -9.987 7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.877 -10.076 7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 27 21.129 -9.637 9.200 1.00 0.00 H new ATOM 388 N ASP A 28 24.072 -9.140 8.647 1.00 0.00 N ATOM 389 CA ASP A 28 25.182 -10.037 8.348 1.00 0.00 C ATOM 390 C ASP A 28 24.804 -11.022 7.248 1.00 0.00 C ATOM 391 O ASP A 28 24.212 -12.068 7.514 1.00 0.00 O ATOM 392 CB ASP A 28 25.605 -10.796 9.607 1.00 0.00 C ATOM 393 CG ASP A 28 25.987 -9.867 10.743 1.00 0.00 C ATOM 394 OD1 ASP A 28 26.200 -8.665 10.480 1.00 0.00 O ATOM 395 OD2 ASP A 28 26.072 -10.343 11.894 1.00 0.00 O ATOM 0 H ASP A 28 23.725 -9.203 9.604 1.00 0.00 H new ATOM 0 HA ASP A 28 26.020 -9.434 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.789 -11.443 9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 28 26.450 -11.443 9.371 1.00 0.00 H new ATOM 400 N ALA A 29 25.147 -10.680 6.010 1.00 0.00 N ATOM 401 CA ALA A 29 24.844 -11.535 4.869 1.00 0.00 C ATOM 402 C ALA A 29 25.771 -12.746 4.829 1.00 0.00 C ATOM 403 O ALA A 29 25.513 -13.713 4.112 1.00 0.00 O ATOM 404 CB ALA A 29 24.950 -10.744 3.574 1.00 0.00 C ATOM 0 H ALA A 29 25.635 -9.817 5.772 1.00 0.00 H new ATOM 0 HA ALA A 29 23.821 -11.896 4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 29 24.721 -11.395 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.243 -9.915 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 29 25.962 -10.354 3.467 1.00 0.00 H new ATOM 410 N SER A 30 26.850 -12.685 5.603 1.00 0.00 N ATOM 411 CA SER A 30 27.817 -13.775 5.652 1.00 0.00 C ATOM 412 C SER A 30 27.130 -15.097 5.979 1.00 0.00 C ATOM 413 O SER A 30 27.340 -16.104 5.302 1.00 0.00 O ATOM 414 CB SER A 30 28.899 -13.478 6.692 1.00 0.00 C ATOM 415 OG SER A 30 29.134 -12.085 6.800 1.00 0.00 O ATOM 0 H SER A 30 27.076 -11.893 6.204 1.00 0.00 H new ATOM 0 HA SER A 30 28.281 -13.861 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 30 28.595 -13.875 7.661 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.823 -13.985 6.415 1.00 0.00 H new ATOM 0 HG SER A 30 29.828 -11.922 7.472 1.00 0.00 H new ATOM 421 N LEU A 31 26.308 -15.087 7.023 1.00 0.00 N ATOM 422 CA LEU A 31 25.589 -16.285 7.442 1.00 0.00 C ATOM 423 C LEU A 31 24.299 -16.452 6.645 1.00 0.00 C ATOM 424 O LEU A 31 23.936 -17.562 6.256 1.00 0.00 O ATOM 425 CB LEU A 31 25.273 -16.216 8.937 1.00 0.00 C ATOM 426 CG LEU A 31 26.347 -15.583 9.822 1.00 0.00 C ATOM 427 CD1 LEU A 31 26.044 -14.112 10.060 1.00 0.00 C ATOM 428 CD2 LEU A 31 26.456 -16.328 11.145 1.00 0.00 C ATOM 0 H LEU A 31 26.123 -14.263 7.595 1.00 0.00 H new ATOM 0 HA LEU A 31 26.227 -17.148 7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 31 24.347 -15.655 9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.086 -17.228 9.295 1.00 0.00 H new ATOM 0 HG LEU A 31 27.305 -15.657 9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 31 26.819 -13.678 10.692 1.00 0.00 H new ATOM 0 HD12 LEU A 31 26.018 -13.587 9.105 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.077 -14.015 10.554 1.00 0.00 H new ATOM 0 HD21 LEU A 31 27.225 -15.863 11.762 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.499 -16.287 11.666 1.00 0.00 H new ATOM 0 HD23 LEU A 31 26.722 -17.368 10.956 1.00 0.00 H new ATOM 440 N THR A 32 23.610 -15.341 6.404 1.00 0.00 N ATOM 441 CA THR A 32 22.361 -15.363 5.653 1.00 0.00 C ATOM 442 C THR A 32 22.555 -16.003 4.283 1.00 0.00 C ATOM 443 O THR A 32 21.734 -16.807 3.841 1.00 0.00 O ATOM 444 CB THR A 32 21.790 -13.945 5.469 1.00 0.00 C ATOM 445 OG1 THR A 32 21.618 -13.316 6.744 1.00 0.00 O ATOM 446 CG2 THR A 32 20.458 -13.988 4.735 1.00 0.00 C ATOM 0 H THR A 32 23.896 -14.414 6.718 1.00 0.00 H new ATOM 0 HA THR A 32 21.655 -15.958 6.232 1.00 0.00 H new ATOM 0 HB THR A 32 22.497 -13.368 4.872 1.00 0.00 H new ATOM 0 HG1 THR A 32 22.456 -12.885 7.012 1.00 0.00 H new ATOM 0 HG21 THR A 32 20.075 -12.974 4.617 1.00 0.00 H new ATOM 0 HG22 THR A 32 20.598 -14.439 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 32 19.746 -14.581 5.309 1.00 0.00 H new ATOM 454 N ARG A 33 23.646 -15.642 3.616 1.00 0.00 N ATOM 455 CA ARG A 33 23.947 -16.181 2.295 1.00 0.00 C ATOM 456 C ARG A 33 23.855 -17.704 2.296 1.00 0.00 C ATOM 457 O ARG A 33 24.377 -18.367 3.191 1.00 0.00 O ATOM 458 CB ARG A 33 25.343 -15.744 1.849 1.00 0.00 C ATOM 459 CG ARG A 33 26.468 -16.470 2.568 1.00 0.00 C ATOM 460 CD ARG A 33 27.019 -17.613 1.730 1.00 0.00 C ATOM 461 NE ARG A 33 28.149 -17.191 0.906 1.00 0.00 N ATOM 462 CZ ARG A 33 29.362 -16.948 1.391 1.00 0.00 C ATOM 463 NH1 ARG A 33 29.600 -17.083 2.688 1.00 0.00 N ATOM 464 NH2 ARG A 33 30.339 -16.568 0.578 1.00 0.00 N ATOM 0 H ARG A 33 24.336 -14.979 3.968 1.00 0.00 H new ATOM 0 HA ARG A 33 23.210 -15.790 1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.441 -15.911 0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.449 -14.672 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 33 27.269 -15.767 2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.103 -16.858 3.519 1.00 0.00 H new ATOM 0 HD2 ARG A 33 27.332 -18.426 2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 33 26.230 -18.006 1.089 1.00 0.00 H new ATOM 0 HE ARG A 33 27.999 -17.077 -0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 33 28.851 -17.374 3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 33 30.532 -16.896 3.058 1.00 0.00 H new ATOM 0 HH21 ARG A 33 30.159 -16.462 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 33 31.270 -16.382 0.951 1.00 0.00 H new ATOM 478 N GLY A 34 23.187 -18.252 1.285 1.00 0.00 N ATOM 479 CA GLY A 34 23.039 -19.693 1.189 1.00 0.00 C ATOM 480 C GLY A 34 21.612 -20.146 1.431 1.00 0.00 C ATOM 481 O GLY A 34 21.218 -21.233 1.008 1.00 0.00 O ATOM 0 H GLY A 34 22.746 -17.724 0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.359 -20.023 0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 34 23.697 -20.172 1.914 1.00 0.00 H new ATOM 485 N LYS A 35 20.836 -19.312 2.114 1.00 0.00 N ATOM 486 CA LYS A 35 19.445 -19.632 2.413 1.00 0.00 C ATOM 487 C LYS A 35 18.500 -18.831 1.524 1.00 0.00 C ATOM 488 O LYS A 35 18.936 -17.987 0.741 1.00 0.00 O ATOM 489 CB LYS A 35 19.141 -19.348 3.886 1.00 0.00 C ATOM 490 CG LYS A 35 19.328 -20.554 4.789 1.00 0.00 C ATOM 491 CD LYS A 35 20.795 -20.788 5.110 1.00 0.00 C ATOM 492 CE LYS A 35 21.322 -19.754 6.094 1.00 0.00 C ATOM 493 NZ LYS A 35 22.475 -20.274 6.880 1.00 0.00 N ATOM 0 H LYS A 35 21.147 -18.409 2.471 1.00 0.00 H new ATOM 0 HA LYS A 35 19.291 -20.693 2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.787 -18.541 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.114 -18.994 3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 35 18.771 -20.407 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 35 18.915 -21.439 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.922 -21.787 5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.380 -20.749 4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.626 -18.859 5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.523 -19.459 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 22.171 -20.466 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.823 -21.153 6.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.237 -19.566 6.888 1.00 0.00 H new ATOM 507 N GLN A 36 17.205 -19.100 1.651 1.00 0.00 N ATOM 508 CA GLN A 36 16.198 -18.403 0.859 1.00 0.00 C ATOM 509 C GLN A 36 15.190 -17.697 1.759 1.00 0.00 C ATOM 510 O GLN A 36 15.274 -17.777 2.984 1.00 0.00 O ATOM 511 CB GLN A 36 15.475 -19.385 -0.064 1.00 0.00 C ATOM 512 CG GLN A 36 14.539 -20.333 0.668 1.00 0.00 C ATOM 513 CD GLN A 36 14.575 -21.740 0.106 1.00 0.00 C ATOM 514 OE1 GLN A 36 13.736 -22.115 -0.714 1.00 0.00 O ATOM 515 NE2 GLN A 36 15.549 -22.528 0.544 1.00 0.00 N ATOM 0 H GLN A 36 16.828 -19.796 2.295 1.00 0.00 H new ATOM 0 HA GLN A 36 16.705 -17.652 0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.904 -18.823 -0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 36 16.215 -19.969 -0.611 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.809 -20.361 1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 36 13.521 -19.949 0.610 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.223 -22.176 1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.624 -23.486 0.201 1.00 0.00 H new ATOM 524 N SER A 37 14.237 -17.005 1.143 1.00 0.00 N ATOM 525 CA SER A 37 13.214 -16.281 1.889 1.00 0.00 C ATOM 526 C SER A 37 11.978 -16.044 1.026 1.00 0.00 C ATOM 527 O SER A 37 12.080 -15.863 -0.186 1.00 0.00 O ATOM 528 CB SER A 37 13.767 -14.944 2.386 1.00 0.00 C ATOM 529 OG SER A 37 12.723 -14.091 2.822 1.00 0.00 O ATOM 0 H SER A 37 14.152 -16.930 0.129 1.00 0.00 H new ATOM 0 HA SER A 37 12.926 -16.889 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.465 -15.117 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.327 -14.459 1.587 1.00 0.00 H new ATOM 0 HG SER A 37 12.095 -14.600 3.377 1.00 0.00 H new ATOM 535 N ASN A 38 10.811 -16.046 1.662 1.00 0.00 N ATOM 536 CA ASN A 38 9.554 -15.832 0.954 1.00 0.00 C ATOM 537 C ASN A 38 9.419 -14.378 0.514 1.00 0.00 C ATOM 538 O ASN A 38 9.445 -13.464 1.338 1.00 0.00 O ATOM 539 CB ASN A 38 8.371 -16.221 1.844 1.00 0.00 C ATOM 540 CG ASN A 38 7.036 -15.901 1.201 1.00 0.00 C ATOM 541 OD1 ASN A 38 6.218 -15.177 1.769 1.00 0.00 O ATOM 542 ND2 ASN A 38 6.808 -16.442 0.010 1.00 0.00 N ATOM 0 H ASN A 38 10.710 -16.193 2.666 1.00 0.00 H new ATOM 0 HA ASN A 38 9.553 -16.463 0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.420 -17.288 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.448 -15.696 2.796 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.926 -16.263 -0.471 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.514 -17.036 -0.424 1.00 0.00 H new ATOM 549 N GLY A 39 9.273 -14.171 -0.791 1.00 0.00 N ATOM 550 CA GLY A 39 9.134 -12.826 -1.318 1.00 0.00 C ATOM 551 C GLY A 39 7.919 -12.109 -0.765 1.00 0.00 C ATOM 552 O GLY A 39 7.296 -12.573 0.191 1.00 0.00 O ATOM 0 H GLY A 39 9.248 -14.911 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.030 -12.252 -1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.062 -12.871 -2.405 1.00 0.00 H new ATOM 556 N LEU A 40 7.581 -10.972 -1.364 1.00 0.00 N ATOM 557 CA LEU A 40 6.432 -10.188 -0.925 1.00 0.00 C ATOM 558 C LEU A 40 5.301 -10.259 -1.945 1.00 0.00 C ATOM 559 O LEU A 40 5.530 -10.538 -3.123 1.00 0.00 O ATOM 560 CB LEU A 40 6.841 -8.731 -0.700 1.00 0.00 C ATOM 561 CG LEU A 40 5.769 -7.817 -0.106 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.260 -8.378 1.213 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.315 -6.409 0.087 1.00 0.00 C ATOM 0 H LEU A 40 8.086 -10.573 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 40 6.074 -10.609 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.709 -8.716 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.159 -8.312 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 40 4.933 -7.769 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.498 -7.714 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.830 -9.366 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.087 -8.457 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.538 -5.772 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.169 -6.439 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.630 -6.006 -0.875 1.00 0.00 H new ATOM 575 N HIS A 41 4.080 -10.002 -1.487 1.00 0.00 N ATOM 576 CA HIS A 41 2.913 -10.034 -2.361 1.00 0.00 C ATOM 577 C HIS A 41 1.751 -9.261 -1.744 1.00 0.00 C ATOM 578 O HIS A 41 1.061 -9.761 -0.858 1.00 0.00 O ATOM 579 CB HIS A 41 2.493 -11.478 -2.633 1.00 0.00 C ATOM 580 CG HIS A 41 2.127 -11.737 -4.062 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.997 -12.434 -4.436 1.00 0.00 N ATOM 582 CD2 HIS A 41 2.748 -11.385 -5.213 1.00 0.00 C ATOM 583 CE1 HIS A 41 0.940 -12.501 -5.754 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.991 -11.872 -6.249 1.00 0.00 N ATOM 0 H HIS A 41 3.873 -9.769 -0.516 1.00 0.00 H new ATOM 0 HA HIS A 41 3.183 -9.558 -3.304 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.308 -12.144 -2.349 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.642 -11.726 -1.998 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.668 -10.825 -5.299 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.166 -12.987 -6.329 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.205 -11.766 -7.241 1.00 0.00 H new ATOM 592 N GLY A 42 1.542 -8.037 -2.220 1.00 0.00 N ATOM 593 CA GLY A 42 0.464 -7.214 -1.703 1.00 0.00 C ATOM 594 C GLY A 42 0.938 -5.840 -1.274 1.00 0.00 C ATOM 595 O GLY A 42 2.074 -5.455 -1.547 1.00 0.00 O ATOM 0 H GLY A 42 2.100 -7.601 -2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.306 -7.107 -2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.002 -7.717 -0.854 1.00 0.00 H new ATOM 599 N ASP A 43 0.064 -5.098 -0.601 1.00 0.00 N ATOM 600 CA ASP A 43 0.399 -3.758 -0.134 1.00 0.00 C ATOM 601 C ASP A 43 0.931 -3.799 1.296 1.00 0.00 C ATOM 602 O ASP A 43 0.219 -4.188 2.222 1.00 0.00 O ATOM 603 CB ASP A 43 -0.827 -2.847 -0.210 1.00 0.00 C ATOM 604 CG ASP A 43 -2.046 -3.460 0.451 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.749 -4.248 -0.216 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.296 -3.153 1.635 1.00 0.00 O ATOM 0 H ASP A 43 -0.881 -5.402 -0.367 1.00 0.00 H new ATOM 0 HA ASP A 43 1.179 -3.358 -0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.598 -1.895 0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.053 -2.633 -1.255 1.00 0.00 H new ATOM 611 N TYR A 44 2.185 -3.395 1.467 1.00 0.00 N ATOM 612 CA TYR A 44 2.812 -3.389 2.783 1.00 0.00 C ATOM 613 C TYR A 44 3.891 -2.313 2.866 1.00 0.00 C ATOM 614 O TYR A 44 4.767 -2.229 2.005 1.00 0.00 O ATOM 615 CB TYR A 44 3.418 -4.759 3.089 1.00 0.00 C ATOM 616 CG TYR A 44 2.412 -5.887 3.056 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.570 -6.126 4.135 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.301 -6.714 1.944 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.650 -7.156 4.110 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.383 -7.745 1.909 1.00 0.00 C ATOM 621 CZ TYR A 44 0.560 -7.962 2.994 1.00 0.00 C ATOM 622 OH TYR A 44 -0.357 -8.988 2.964 1.00 0.00 O ATOM 0 H TYR A 44 2.787 -3.068 0.711 1.00 0.00 H new ATOM 0 HA TYR A 44 2.043 -3.166 3.523 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.208 -4.967 2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.885 -4.729 4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.636 -5.495 5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.944 -6.547 1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.005 -7.329 4.959 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.310 -8.378 1.037 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.293 -9.459 2.107 1.00 0.00 H new ATOM 632 N ASP A 45 3.821 -1.494 3.909 1.00 0.00 N ATOM 633 CA ASP A 45 4.792 -0.424 4.108 1.00 0.00 C ATOM 634 C ASP A 45 6.207 -0.985 4.202 1.00 0.00 C ATOM 635 O ASP A 45 6.424 -2.184 4.028 1.00 0.00 O ATOM 636 CB ASP A 45 4.458 0.368 5.373 1.00 0.00 C ATOM 637 CG ASP A 45 4.675 1.859 5.197 1.00 0.00 C ATOM 638 OD1 ASP A 45 5.376 2.247 4.239 1.00 0.00 O ATOM 639 OD2 ASP A 45 4.144 2.636 6.017 1.00 0.00 O ATOM 0 H ASP A 45 3.102 -1.550 4.630 1.00 0.00 H new ATOM 0 HA ASP A 45 4.742 0.243 3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.420 0.185 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.075 0.009 6.197 1.00 0.00 H new ATOM 644 N VAL A 46 7.168 -0.109 4.479 1.00 0.00 N ATOM 645 CA VAL A 46 8.563 -0.517 4.597 1.00 0.00 C ATOM 646 C VAL A 46 8.747 -1.528 5.723 1.00 0.00 C ATOM 647 O VAL A 46 9.412 -2.549 5.551 1.00 0.00 O ATOM 648 CB VAL A 46 9.482 0.693 4.853 1.00 0.00 C ATOM 649 CG1 VAL A 46 8.994 1.489 6.054 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.919 0.237 5.054 1.00 0.00 C ATOM 0 H VAL A 46 7.006 0.887 4.626 1.00 0.00 H new ATOM 0 HA VAL A 46 8.839 -0.979 3.649 1.00 0.00 H new ATOM 0 HB VAL A 46 9.450 1.343 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.655 2.340 6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.982 1.847 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.995 0.851 6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.554 1.104 5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.971 -0.435 5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.263 -0.286 4.162 1.00 0.00 H new ATOM 660 N GLU A 47 8.151 -1.237 6.875 1.00 0.00 N ATOM 661 CA GLU A 47 8.250 -2.122 8.030 1.00 0.00 C ATOM 662 C GLU A 47 7.390 -3.367 7.836 1.00 0.00 C ATOM 663 O GLU A 47 7.871 -4.493 7.964 1.00 0.00 O ATOM 664 CB GLU A 47 7.823 -1.387 9.302 1.00 0.00 C ATOM 665 CG GLU A 47 8.749 -0.244 9.684 1.00 0.00 C ATOM 666 CD GLU A 47 7.995 0.992 10.134 1.00 0.00 C ATOM 667 OE1 GLU A 47 6.861 0.844 10.638 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.537 2.107 9.983 1.00 0.00 O ATOM 0 H GLU A 47 7.595 -0.396 7.033 1.00 0.00 H new ATOM 0 HA GLU A 47 9.290 -2.432 8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.815 -0.996 9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.780 -2.099 10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.413 -0.571 10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.378 0.009 8.831 1.00 0.00 H new ATOM 675 N SER A 48 6.114 -3.156 7.528 1.00 0.00 N ATOM 676 CA SER A 48 5.185 -4.260 7.321 1.00 0.00 C ATOM 677 C SER A 48 5.708 -5.218 6.254 1.00 0.00 C ATOM 678 O SER A 48 5.777 -6.427 6.469 1.00 0.00 O ATOM 679 CB SER A 48 3.809 -3.728 6.914 1.00 0.00 C ATOM 680 OG SER A 48 2.774 -4.429 7.580 1.00 0.00 O ATOM 0 H SER A 48 5.700 -2.230 7.416 1.00 0.00 H new ATOM 0 HA SER A 48 5.093 -4.805 8.260 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.742 -2.666 7.149 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.683 -3.825 5.836 1.00 0.00 H new ATOM 0 HG SER A 48 1.905 -4.069 7.304 1.00 0.00 H new ATOM 686 N GLY A 49 6.075 -4.666 5.101 1.00 0.00 N ATOM 687 CA GLY A 49 6.587 -5.483 4.017 1.00 0.00 C ATOM 688 C GLY A 49 7.870 -6.200 4.388 1.00 0.00 C ATOM 689 O GLY A 49 8.034 -7.386 4.096 1.00 0.00 O ATOM 0 H GLY A 49 6.027 -3.667 4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.833 -6.217 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.765 -4.854 3.145 1.00 0.00 H new ATOM 693 N LEU A 50 8.783 -5.481 5.030 1.00 0.00 N ATOM 694 CA LEU A 50 10.060 -6.055 5.440 1.00 0.00 C ATOM 695 C LEU A 50 9.850 -7.341 6.232 1.00 0.00 C ATOM 696 O LEU A 50 10.410 -8.385 5.899 1.00 0.00 O ATOM 697 CB LEU A 50 10.848 -5.048 6.280 1.00 0.00 C ATOM 698 CG LEU A 50 11.824 -5.641 7.298 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.807 -6.576 6.612 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.563 -4.534 8.035 1.00 0.00 C ATOM 0 H LEU A 50 8.663 -4.499 5.278 1.00 0.00 H new ATOM 0 HA LEU A 50 10.629 -6.293 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.407 -4.401 5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.138 -4.415 6.813 1.00 0.00 H new ATOM 0 HG LEU A 50 11.254 -6.218 8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.493 -6.988 7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.262 -7.388 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.372 -6.023 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.253 -4.974 8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.121 -3.930 7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.845 -3.903 8.559 1.00 0.00 H new ATOM 712 N GLN A 51 9.037 -7.258 7.280 1.00 0.00 N ATOM 713 CA GLN A 51 8.751 -8.417 8.119 1.00 0.00 C ATOM 714 C GLN A 51 8.036 -9.503 7.321 1.00 0.00 C ATOM 715 O GLN A 51 8.097 -10.682 7.669 1.00 0.00 O ATOM 716 CB GLN A 51 7.899 -8.005 9.321 1.00 0.00 C ATOM 717 CG GLN A 51 8.507 -6.879 10.141 1.00 0.00 C ATOM 718 CD GLN A 51 9.165 -7.374 11.414 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.634 -7.195 12.510 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.328 -8.000 11.275 1.00 0.00 N ATOM 0 H GLN A 51 8.565 -6.401 7.569 1.00 0.00 H new ATOM 0 HA GLN A 51 9.699 -8.819 8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.915 -7.696 8.969 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.750 -8.872 9.964 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.245 -6.352 9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.729 -6.159 10.395 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.732 -8.126 10.347 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.818 -8.355 12.096 1.00 0.00 H new ATOM 729 N GLN A 52 7.359 -9.096 6.252 1.00 0.00 N ATOM 730 CA GLN A 52 6.632 -10.035 5.407 1.00 0.00 C ATOM 731 C GLN A 52 7.589 -10.819 4.515 1.00 0.00 C ATOM 732 O GLN A 52 7.289 -11.938 4.096 1.00 0.00 O ATOM 733 CB GLN A 52 5.608 -9.293 4.547 1.00 0.00 C ATOM 734 CG GLN A 52 4.220 -9.913 4.582 1.00 0.00 C ATOM 735 CD GLN A 52 4.165 -11.258 3.884 1.00 0.00 C ATOM 736 OE1 GLN A 52 4.459 -11.365 2.693 1.00 0.00 O ATOM 737 NE2 GLN A 52 3.786 -12.294 4.624 1.00 0.00 N ATOM 0 H GLN A 52 7.299 -8.123 5.951 1.00 0.00 H new ATOM 0 HA GLN A 52 6.110 -10.738 6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.543 -8.259 4.885 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.961 -9.270 3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.905 -10.033 5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.510 -9.233 4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.551 -12.160 5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.730 -13.224 4.209 1.00 0.00 H new ATOM 746 N LEU A 53 8.742 -10.225 4.228 1.00 0.00 N ATOM 747 CA LEU A 53 9.744 -10.867 3.385 1.00 0.00 C ATOM 748 C LEU A 53 10.449 -11.992 4.137 1.00 0.00 C ATOM 749 O LEU A 53 10.471 -13.137 3.685 1.00 0.00 O ATOM 750 CB LEU A 53 10.770 -9.839 2.904 1.00 0.00 C ATOM 751 CG LEU A 53 10.533 -9.256 1.510 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.959 -10.313 0.580 1.00 0.00 C ATOM 753 CD2 LEU A 53 9.607 -8.051 1.586 1.00 0.00 C ATOM 0 H LEU A 53 9.006 -9.300 4.567 1.00 0.00 H new ATOM 0 HA LEU A 53 9.235 -11.295 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.795 -9.018 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.755 -10.305 2.919 1.00 0.00 H new ATOM 0 HG LEU A 53 11.491 -8.928 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.797 -9.880 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.658 -11.146 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.010 -10.672 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.450 -7.649 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.650 -8.354 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.057 -7.285 2.218 1.00 0.00 H new ATOM 765 N LEU A 54 11.022 -11.658 5.288 1.00 0.00 N ATOM 766 CA LEU A 54 11.726 -12.640 6.105 1.00 0.00 C ATOM 767 C LEU A 54 10.744 -13.475 6.920 1.00 0.00 C ATOM 768 O LEU A 54 11.137 -14.415 7.610 1.00 0.00 O ATOM 769 CB LEU A 54 12.715 -11.940 7.040 1.00 0.00 C ATOM 770 CG LEU A 54 12.210 -11.644 8.452 1.00 0.00 C ATOM 771 CD1 LEU A 54 10.781 -11.124 8.410 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.300 -12.889 9.322 1.00 0.00 C ATOM 0 H LEU A 54 11.013 -10.715 5.676 1.00 0.00 H new ATOM 0 HA LEU A 54 12.274 -13.305 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.610 -12.558 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.016 -10.999 6.579 1.00 0.00 H new ATOM 0 HG LEU A 54 12.843 -10.872 8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.439 -10.919 9.424 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.745 -10.207 7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.134 -11.873 7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.936 -12.660 10.324 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.691 -13.681 8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.337 -13.219 9.379 1.00 0.00 H new ATOM 784 N ASP A 55 9.465 -13.127 6.832 1.00 0.00 N ATOM 785 CA ASP A 55 8.425 -13.846 7.558 1.00 0.00 C ATOM 786 C ASP A 55 8.579 -15.353 7.377 1.00 0.00 C ATOM 787 O ASP A 55 8.453 -15.871 6.268 1.00 0.00 O ATOM 788 CB ASP A 55 7.041 -13.402 7.083 1.00 0.00 C ATOM 789 CG ASP A 55 5.983 -14.465 7.307 1.00 0.00 C ATOM 790 OD1 ASP A 55 5.616 -14.700 8.477 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.522 -15.061 6.311 1.00 0.00 O ATOM 0 H ASP A 55 9.124 -12.351 6.265 1.00 0.00 H new ATOM 0 HA ASP A 55 8.529 -13.613 8.618 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.754 -12.492 7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.086 -13.156 6.022 1.00 0.00 H new ATOM 796 N GLY A 56 8.854 -16.052 8.475 1.00 0.00 N ATOM 797 CA GLY A 56 9.022 -17.492 8.415 1.00 0.00 C ATOM 798 C GLY A 56 9.948 -18.013 9.495 1.00 0.00 C ATOM 799 O GLY A 56 9.950 -19.205 9.800 1.00 0.00 O ATOM 0 H GLY A 56 8.963 -15.646 9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.049 -17.973 8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.417 -17.768 7.437 1.00 0.00 H new ATOM 803 N SER A 57 10.740 -17.117 10.076 1.00 0.00 N ATOM 804 CA SER A 57 11.680 -17.494 11.126 1.00 0.00 C ATOM 805 C SER A 57 11.345 -16.786 12.435 1.00 0.00 C ATOM 806 O SER A 57 11.204 -17.422 13.479 1.00 0.00 O ATOM 807 CB SER A 57 13.111 -17.157 10.703 1.00 0.00 C ATOM 808 OG SER A 57 13.159 -15.929 9.997 1.00 0.00 O ATOM 0 H SER A 57 10.750 -16.125 9.838 1.00 0.00 H new ATOM 0 HA SER A 57 11.598 -18.569 11.284 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.750 -17.098 11.584 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.506 -17.956 10.076 1.00 0.00 H new ATOM 0 HG SER A 57 14.085 -15.736 9.739 1.00 0.00 H new ATOM 814 N GLY A 58 11.218 -15.464 12.370 1.00 0.00 N ATOM 815 CA GLY A 58 10.901 -14.690 13.557 1.00 0.00 C ATOM 816 C GLY A 58 12.122 -14.022 14.156 1.00 0.00 C ATOM 817 O GLY A 58 12.848 -14.629 14.944 1.00 0.00 O ATOM 0 H GLY A 58 11.329 -14.915 11.517 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.162 -13.930 13.305 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.446 -15.343 14.302 1.00 0.00 H new ATOM 821 N LEU A 59 12.351 -12.768 13.783 1.00 0.00 N ATOM 822 CA LEU A 59 13.494 -12.015 14.288 1.00 0.00 C ATOM 823 C LEU A 59 13.081 -10.605 14.696 1.00 0.00 C ATOM 824 O LEU A 59 11.940 -10.197 14.483 1.00 0.00 O ATOM 825 CB LEU A 59 14.595 -11.950 13.228 1.00 0.00 C ATOM 826 CG LEU A 59 15.448 -13.208 13.067 1.00 0.00 C ATOM 827 CD1 LEU A 59 15.012 -13.996 11.842 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.923 -12.845 12.972 1.00 0.00 C ATOM 0 H LEU A 59 11.760 -12.251 13.132 1.00 0.00 H new ATOM 0 HA LEU A 59 13.876 -12.530 15.169 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.133 -11.723 12.267 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.255 -11.117 13.469 1.00 0.00 H new ATOM 0 HG LEU A 59 15.305 -13.835 13.947 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.631 -14.888 11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.968 -14.289 11.951 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.125 -13.377 10.952 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.515 -13.753 12.858 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.083 -12.197 12.111 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.229 -12.325 13.880 1.00 0.00 H new ATOM 840 N GLN A 60 14.017 -9.866 15.282 1.00 0.00 N ATOM 841 CA GLN A 60 13.749 -8.501 15.719 1.00 0.00 C ATOM 842 C GLN A 60 14.466 -7.493 14.826 1.00 0.00 C ATOM 843 O GLN A 60 15.570 -7.749 14.345 1.00 0.00 O ATOM 844 CB GLN A 60 14.187 -8.312 17.173 1.00 0.00 C ATOM 845 CG GLN A 60 15.687 -8.127 17.337 1.00 0.00 C ATOM 846 CD GLN A 60 16.248 -8.919 18.501 1.00 0.00 C ATOM 847 OE1 GLN A 60 16.312 -8.428 19.629 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.660 -10.153 18.234 1.00 0.00 N ATOM 0 H GLN A 60 14.967 -10.189 15.465 1.00 0.00 H new ATOM 0 HA GLN A 60 12.675 -8.327 15.645 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.675 -7.444 17.588 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.870 -9.178 17.755 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.189 -8.432 16.419 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.905 -7.069 17.483 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.589 -10.520 17.285 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.048 -10.733 18.978 1.00 0.00 H new ATOM 857 N VAL A 61 13.829 -6.347 14.606 1.00 0.00 N ATOM 858 CA VAL A 61 14.406 -5.300 13.771 1.00 0.00 C ATOM 859 C VAL A 61 14.384 -3.953 14.484 1.00 0.00 C ATOM 860 O VAL A 61 13.331 -3.486 14.919 1.00 0.00 O ATOM 861 CB VAL A 61 13.654 -5.172 12.432 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.486 -4.394 11.425 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.294 -6.547 11.890 1.00 0.00 C ATOM 0 H VAL A 61 12.913 -6.120 14.994 1.00 0.00 H new ATOM 0 HA VAL A 61 15.439 -5.586 13.574 1.00 0.00 H new ATOM 0 HB VAL A 61 12.729 -4.622 12.605 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.939 -4.314 10.486 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.688 -3.396 11.814 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.428 -4.914 11.253 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.763 -6.438 10.944 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.204 -7.125 11.731 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.656 -7.065 12.606 1.00 0.00 H new ATOM 873 N LYS A 62 15.553 -3.333 14.601 1.00 0.00 N ATOM 874 CA LYS A 62 15.669 -2.037 15.260 1.00 0.00 C ATOM 875 C LYS A 62 16.588 -1.107 14.474 1.00 0.00 C ATOM 876 O LYS A 62 17.609 -1.522 13.925 1.00 0.00 O ATOM 877 CB LYS A 62 16.202 -2.213 16.684 1.00 0.00 C ATOM 878 CG LYS A 62 17.371 -3.178 16.782 1.00 0.00 C ATOM 879 CD LYS A 62 16.934 -4.530 17.320 1.00 0.00 C ATOM 880 CE LYS A 62 16.938 -4.552 18.841 1.00 0.00 C ATOM 881 NZ LYS A 62 15.626 -4.132 19.406 1.00 0.00 N ATOM 0 H LYS A 62 16.434 -3.707 14.248 1.00 0.00 H new ATOM 0 HA LYS A 62 14.677 -1.588 15.302 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.511 -1.241 17.070 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.394 -2.568 17.324 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.822 -3.305 15.798 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.138 -2.757 17.432 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.934 -4.762 16.954 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.600 -5.306 16.942 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.178 -5.557 19.189 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.721 -3.891 19.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.531 -4.500 20.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.572 -3.094 19.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.857 -4.508 18.815 1.00 0.00 H new ATOM 895 N PRO A 63 16.220 0.181 14.418 1.00 0.00 N ATOM 896 CA PRO A 63 16.998 1.197 13.703 1.00 0.00 C ATOM 897 C PRO A 63 18.323 1.503 14.393 1.00 0.00 C ATOM 898 O PRO A 63 18.500 1.213 15.577 1.00 0.00 O ATOM 899 CB PRO A 63 16.086 2.426 13.727 1.00 0.00 C ATOM 900 CG PRO A 63 15.220 2.231 14.924 1.00 0.00 C ATOM 901 CD PRO A 63 15.015 0.746 15.049 1.00 0.00 C ATOM 0 HA PRO A 63 17.269 0.871 12.699 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.664 3.347 13.802 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.492 2.496 12.816 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.693 2.636 15.818 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.268 2.748 14.805 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.926 0.439 16.091 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.106 0.422 14.542 1.00 0.00 H new ATOM 909 N LEU A 64 19.251 2.092 13.647 1.00 0.00 N ATOM 910 CA LEU A 64 20.561 2.439 14.187 1.00 0.00 C ATOM 911 C LEU A 64 20.855 3.923 13.992 1.00 0.00 C ATOM 912 O LEU A 64 21.016 4.667 14.959 1.00 0.00 O ATOM 913 CB LEU A 64 21.650 1.600 13.516 1.00 0.00 C ATOM 914 CG LEU A 64 21.256 0.173 13.131 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.357 -0.482 12.312 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.952 -0.650 14.374 1.00 0.00 C ATOM 0 H LEU A 64 19.121 2.339 12.666 1.00 0.00 H new ATOM 0 HA LEU A 64 20.553 2.226 15.256 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.979 2.120 12.616 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.508 1.550 14.187 1.00 0.00 H new ATOM 0 HG LEU A 64 20.355 0.218 12.520 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.059 -1.497 12.047 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.527 0.095 11.403 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.276 -0.515 12.898 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.674 -1.662 14.081 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.836 -0.687 15.011 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.129 -0.191 14.922 1.00 0.00 H new ATOM 928 N GLY A 65 20.920 4.348 12.734 1.00 0.00 N ATOM 929 CA GLY A 65 21.192 5.742 12.435 1.00 0.00 C ATOM 930 C GLY A 65 20.225 6.316 11.419 1.00 0.00 C ATOM 931 O GLY A 65 19.032 6.446 11.692 1.00 0.00 O ATOM 0 H GLY A 65 20.789 3.752 11.917 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.137 6.325 13.354 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.210 5.838 12.057 1.00 0.00 H new ATOM 935 N ASN A 66 20.740 6.663 10.244 1.00 0.00 N ATOM 936 CA ASN A 66 19.913 7.230 9.184 1.00 0.00 C ATOM 937 C ASN A 66 19.011 6.164 8.569 1.00 0.00 C ATOM 938 O ASN A 66 19.399 5.479 7.624 1.00 0.00 O ATOM 939 CB ASN A 66 20.793 7.856 8.101 1.00 0.00 C ATOM 940 CG ASN A 66 20.429 9.301 7.824 1.00 0.00 C ATOM 941 OD1 ASN A 66 21.067 10.223 8.333 1.00 0.00 O ATOM 942 ND2 ASN A 66 19.398 9.506 7.013 1.00 0.00 N ATOM 0 H ASN A 66 21.726 6.562 10.002 1.00 0.00 H new ATOM 0 HA ASN A 66 19.284 8.004 9.623 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.837 7.800 8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.699 7.278 7.182 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.106 10.457 6.790 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.898 8.712 6.613 1.00 0.00 H new ATOM 949 N ASN A 67 17.806 6.030 9.113 1.00 0.00 N ATOM 950 CA ASN A 67 16.849 5.047 8.618 1.00 0.00 C ATOM 951 C ASN A 67 17.528 3.703 8.370 1.00 0.00 C ATOM 952 O ASN A 67 17.138 2.956 7.473 1.00 0.00 O ATOM 953 CB ASN A 67 16.195 5.546 7.328 1.00 0.00 C ATOM 954 CG ASN A 67 14.695 5.325 7.317 1.00 0.00 C ATOM 955 OD1 ASN A 67 13.918 6.267 7.163 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.281 4.074 7.481 1.00 0.00 N ATOM 0 H ASN A 67 17.469 6.589 9.896 1.00 0.00 H new ATOM 0 HA ASN A 67 16.080 4.911 9.378 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.404 6.609 7.206 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.641 5.033 6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.283 3.863 7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.961 3.324 7.605 1.00 0.00 H new ATOM 963 N SER A 68 18.544 3.403 9.172 1.00 0.00 N ATOM 964 CA SER A 68 19.280 2.151 9.038 1.00 0.00 C ATOM 965 C SER A 68 18.764 1.110 10.026 1.00 0.00 C ATOM 966 O SER A 68 18.923 1.255 11.238 1.00 0.00 O ATOM 967 CB SER A 68 20.775 2.387 9.262 1.00 0.00 C ATOM 968 OG SER A 68 21.018 3.699 9.739 1.00 0.00 O ATOM 0 H SER A 68 18.877 4.010 9.922 1.00 0.00 H new ATOM 0 HA SER A 68 19.127 1.774 8.027 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.158 1.660 9.978 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.315 2.230 8.328 1.00 0.00 H new ATOM 0 HG SER A 68 21.980 3.824 9.876 1.00 0.00 H new ATOM 974 N TRP A 69 18.145 0.060 9.499 1.00 0.00 N ATOM 975 CA TRP A 69 17.604 -1.007 10.334 1.00 0.00 C ATOM 976 C TRP A 69 18.484 -2.251 10.265 1.00 0.00 C ATOM 977 O TRP A 69 19.166 -2.487 9.267 1.00 0.00 O ATOM 978 CB TRP A 69 16.179 -1.351 9.898 1.00 0.00 C ATOM 979 CG TRP A 69 15.238 -0.187 9.972 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.347 0.999 9.304 1.00 0.00 C ATOM 981 CD2 TRP A 69 14.046 -0.098 10.760 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.295 1.820 9.629 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.482 1.171 10.520 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.399 -0.966 11.644 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.304 1.589 11.133 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.230 -0.549 12.251 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.692 0.719 11.993 1.00 0.00 C ATOM 0 H TRP A 69 18.005 -0.076 8.498 1.00 0.00 H new ATOM 0 HA TRP A 69 17.586 -0.654 11.365 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.200 -1.727 8.875 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.799 -2.157 10.526 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.143 1.254 8.621 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.144 2.761 9.266 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.806 -1.945 11.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.888 2.566 10.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.722 -1.212 12.936 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.776 1.015 12.483 1.00 0.00 H new ATOM 998 N THR A 70 18.465 -3.044 11.332 1.00 0.00 N ATOM 999 CA THR A 70 19.262 -4.263 11.393 1.00 0.00 C ATOM 1000 C THR A 70 18.452 -5.421 11.963 1.00 0.00 C ATOM 1001 O THR A 70 17.556 -5.221 12.784 1.00 0.00 O ATOM 1002 CB THR A 70 20.527 -4.065 12.249 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.395 -5.195 12.109 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.164 -3.876 13.715 1.00 0.00 C ATOM 0 H THR A 70 17.906 -2.864 12.166 1.00 0.00 H new ATOM 0 HA THR A 70 19.558 -4.499 10.371 1.00 0.00 H new ATOM 0 HB THR A 70 21.039 -3.169 11.899 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.422 -5.472 11.169 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.073 -3.738 14.300 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.527 -2.998 13.822 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.631 -4.756 14.074 1.00 0.00 H new ATOM 1012 N LEU A 71 18.772 -6.633 11.523 1.00 0.00 N ATOM 1013 CA LEU A 71 18.074 -7.826 11.991 1.00 0.00 C ATOM 1014 C LEU A 71 18.905 -8.571 13.030 1.00 0.00 C ATOM 1015 O LEU A 71 20.132 -8.609 12.946 1.00 0.00 O ATOM 1016 CB LEU A 71 17.760 -8.751 10.814 1.00 0.00 C ATOM 1017 CG LEU A 71 16.332 -8.685 10.271 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.341 -9.175 11.315 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.992 -7.267 9.835 1.00 0.00 C ATOM 0 H LEU A 71 19.510 -6.816 10.843 1.00 0.00 H new ATOM 0 HA LEU A 71 17.141 -7.511 12.458 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.448 -8.518 10.001 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.964 -9.777 11.120 1.00 0.00 H new ATOM 0 HG LEU A 71 16.264 -9.338 9.401 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.330 -9.121 10.911 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.571 -10.207 11.579 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.410 -8.549 12.204 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.972 -7.239 9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.077 -6.594 10.688 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.683 -6.951 9.053 1.00 0.00 H new ATOM 1031 N GLU A 72 18.228 -9.163 14.009 1.00 0.00 N ATOM 1032 CA GLU A 72 18.905 -9.909 15.063 1.00 0.00 C ATOM 1033 C GLU A 72 18.078 -11.117 15.493 1.00 0.00 C ATOM 1034 O GLU A 72 16.860 -11.161 15.317 1.00 0.00 O ATOM 1035 CB GLU A 72 19.169 -9.004 16.269 1.00 0.00 C ATOM 1036 CG GLU A 72 20.425 -8.160 16.132 1.00 0.00 C ATOM 1037 CD GLU A 72 20.401 -6.930 17.019 1.00 0.00 C ATOM 1038 OE1 GLU A 72 20.496 -7.086 18.254 1.00 0.00 O ATOM 1039 OE2 GLU A 72 20.286 -5.810 16.477 1.00 0.00 O ATOM 0 H GLU A 72 17.212 -9.140 14.094 1.00 0.00 H new ATOM 0 HA GLU A 72 19.857 -10.264 14.667 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.313 -8.345 16.413 1.00 0.00 H new ATOM 0 HB3 GLU A 72 19.251 -9.620 17.164 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.295 -8.767 16.382 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.540 -7.852 15.093 1.00 0.00 H new ATOM 1046 N PRO A 73 18.754 -12.122 16.068 1.00 0.00 N ATOM 1047 CA PRO A 73 18.103 -13.350 16.534 1.00 0.00 C ATOM 1048 C PRO A 73 17.223 -13.111 17.757 1.00 0.00 C ATOM 1049 O PRO A 73 17.693 -12.628 18.786 1.00 0.00 O ATOM 1050 CB PRO A 73 19.279 -14.262 16.892 1.00 0.00 C ATOM 1051 CG PRO A 73 20.399 -13.330 17.204 1.00 0.00 C ATOM 1052 CD PRO A 73 20.207 -12.137 16.309 1.00 0.00 C ATOM 0 HA PRO A 73 17.436 -13.768 15.780 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.042 -14.897 17.746 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.533 -14.924 16.064 1.00 0.00 H new ATOM 0 HG2 PRO A 73 20.382 -13.037 18.254 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.363 -13.804 17.021 1.00 0.00 H new ATOM 0 HD2 PRO A 73 20.545 -11.217 16.787 1.00 0.00 H new ATOM 0 HD3 PRO A 73 20.768 -12.237 15.380 1.00 0.00 H new ATOM 1060 N ALA A 74 15.945 -13.454 17.636 1.00 0.00 N ATOM 1061 CA ALA A 74 15.000 -13.279 18.733 1.00 0.00 C ATOM 1062 C ALA A 74 14.502 -14.625 19.248 1.00 0.00 C ATOM 1063 O ALA A 74 14.586 -15.647 18.567 1.00 0.00 O ATOM 1064 CB ALA A 74 13.829 -12.416 18.288 1.00 0.00 C ATOM 0 H ALA A 74 15.540 -13.855 16.790 1.00 0.00 H new ATOM 0 HA ALA A 74 15.518 -12.776 19.550 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.132 -12.294 19.117 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.196 -11.438 17.975 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.319 -12.897 17.453 1.00 0.00 H new ATOM 1070 N PRO A 75 13.972 -14.628 20.480 1.00 0.00 N ATOM 1071 CA PRO A 75 13.450 -15.843 21.114 1.00 0.00 C ATOM 1072 C PRO A 75 12.167 -16.336 20.454 1.00 0.00 C ATOM 1073 O PRO A 75 11.549 -15.620 19.667 1.00 0.00 O ATOM 1074 CB PRO A 75 13.176 -15.401 22.554 1.00 0.00 C ATOM 1075 CG PRO A 75 12.955 -13.931 22.464 1.00 0.00 C ATOM 1076 CD PRO A 75 13.841 -13.447 21.349 1.00 0.00 C ATOM 0 HA PRO A 75 14.148 -16.677 21.035 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.303 -15.908 22.964 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.017 -15.636 23.207 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.909 -13.706 22.257 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.207 -13.440 23.404 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.396 -12.605 20.819 1.00 0.00 H new ATOM 0 HD3 PRO A 75 14.809 -13.113 21.721 1.00 0.00 H new ATOM 1084 N ALA A 76 11.772 -17.562 20.782 1.00 0.00 N ATOM 1085 CA ALA A 76 10.561 -18.149 20.222 1.00 0.00 C ATOM 1086 C ALA A 76 9.330 -17.732 21.020 1.00 0.00 C ATOM 1087 O ALA A 76 9.421 -17.310 22.174 1.00 0.00 O ATOM 1088 CB ALA A 76 10.679 -19.665 20.183 1.00 0.00 C ATOM 0 H ALA A 76 12.273 -18.168 21.432 1.00 0.00 H new ATOM 0 HA ALA A 76 10.444 -17.779 19.203 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.768 -20.090 19.763 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.530 -19.948 19.564 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.824 -20.045 21.194 1.00 0.00 H new ATOM 1094 N PRO A 77 8.149 -17.852 20.395 1.00 0.00 N ATOM 1095 CA PRO A 77 6.877 -17.493 21.028 1.00 0.00 C ATOM 1096 C PRO A 77 6.493 -18.457 22.145 1.00 0.00 C ATOM 1097 O PRO A 77 7.084 -19.528 22.285 1.00 0.00 O ATOM 1098 CB PRO A 77 5.871 -17.579 19.878 1.00 0.00 C ATOM 1099 CG PRO A 77 6.478 -18.540 18.915 1.00 0.00 C ATOM 1100 CD PRO A 77 7.966 -18.347 19.020 1.00 0.00 C ATOM 0 HA PRO A 77 6.920 -16.512 21.502 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.900 -17.929 20.227 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.712 -16.604 19.417 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.199 -19.565 19.159 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.130 -18.348 17.900 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.505 -19.280 18.853 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.332 -17.632 18.283 1.00 0.00 H new ATOM 1108 N LYS A 78 5.501 -18.070 22.939 1.00 0.00 N ATOM 1109 CA LYS A 78 5.036 -18.901 24.044 1.00 0.00 C ATOM 1110 C LYS A 78 3.513 -18.997 24.049 1.00 0.00 C ATOM 1111 O LYS A 78 2.906 -19.310 25.072 1.00 0.00 O ATOM 1112 CB LYS A 78 5.526 -18.333 25.378 1.00 0.00 C ATOM 1113 CG LYS A 78 5.092 -16.899 25.625 1.00 0.00 C ATOM 1114 CD LYS A 78 4.040 -16.815 26.718 1.00 0.00 C ATOM 1115 CE LYS A 78 4.625 -17.150 28.081 1.00 0.00 C ATOM 1116 NZ LYS A 78 3.717 -16.746 29.190 1.00 0.00 N ATOM 0 H LYS A 78 5.003 -17.186 22.838 1.00 0.00 H new ATOM 0 HA LYS A 78 5.446 -19.902 23.910 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.155 -18.961 26.188 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.614 -18.384 25.407 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.958 -16.299 25.905 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.695 -16.474 24.703 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.616 -15.811 26.740 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.224 -17.501 26.492 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.816 -18.221 28.141 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.585 -16.648 28.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.152 -16.992 30.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.554 -15.720 29.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.809 -17.244 29.094 1.00 0.00 H new ATOM 1130 N GLU A 79 2.904 -18.727 22.899 1.00 0.00 N ATOM 1131 CA GLU A 79 1.452 -18.784 22.773 1.00 0.00 C ATOM 1132 C GLU A 79 1.023 -18.560 21.325 1.00 0.00 C ATOM 1133 O GLU A 79 0.886 -17.422 20.876 1.00 0.00 O ATOM 1134 CB GLU A 79 0.798 -17.739 23.678 1.00 0.00 C ATOM 1135 CG GLU A 79 -0.720 -17.806 23.687 1.00 0.00 C ATOM 1136 CD GLU A 79 -1.345 -17.015 22.553 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -1.456 -15.778 22.683 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -1.724 -17.635 21.537 1.00 0.00 O ATOM 0 H GLU A 79 3.392 -18.467 22.042 1.00 0.00 H new ATOM 0 HA GLU A 79 1.124 -19.777 23.082 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.165 -17.871 24.696 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.108 -16.745 23.354 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.035 -18.847 23.616 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.091 -17.425 24.639 1.00 0.00 H new ATOM 1145 N ASP A 80 0.812 -19.654 20.601 1.00 0.00 N ATOM 1146 CA ASP A 80 0.397 -19.578 19.205 1.00 0.00 C ATOM 1147 C ASP A 80 -0.900 -20.349 18.981 1.00 0.00 C ATOM 1148 O ASP A 80 -1.032 -21.497 19.403 1.00 0.00 O ATOM 1149 CB ASP A 80 1.496 -20.128 18.294 1.00 0.00 C ATOM 1150 CG ASP A 80 2.470 -19.055 17.849 1.00 0.00 C ATOM 1151 OD1 ASP A 80 3.210 -18.531 18.708 1.00 0.00 O ATOM 1152 OD2 ASP A 80 2.493 -18.740 16.641 1.00 0.00 O ATOM 0 H ASP A 80 0.921 -20.603 20.958 1.00 0.00 H new ATOM 0 HA ASP A 80 0.223 -18.530 18.960 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.040 -20.913 18.819 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.041 -20.588 17.417 1.00 0.00 H new ATOM 1157 N ALA A 81 -1.855 -19.708 18.315 1.00 0.00 N ATOM 1158 CA ALA A 81 -3.141 -20.334 18.034 1.00 0.00 C ATOM 1159 C ALA A 81 -3.073 -21.186 16.771 1.00 0.00 C ATOM 1160 O ALA A 81 -2.549 -20.752 15.744 1.00 0.00 O ATOM 1161 CB ALA A 81 -4.225 -19.274 17.900 1.00 0.00 C ATOM 0 H ALA A 81 -1.762 -18.756 17.960 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.389 -20.989 18.869 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.180 -19.755 17.690 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.299 -18.710 18.830 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.973 -18.597 17.084 1.00 0.00 H new ATOM 1167 N LEU A 82 -3.605 -22.400 16.853 1.00 0.00 N ATOM 1168 CA LEU A 82 -3.604 -23.314 15.716 1.00 0.00 C ATOM 1169 C LEU A 82 -5.017 -23.800 15.407 1.00 0.00 C ATOM 1170 O LEU A 82 -5.822 -24.022 16.313 1.00 0.00 O ATOM 1171 CB LEU A 82 -2.692 -24.510 15.998 1.00 0.00 C ATOM 1172 CG LEU A 82 -2.185 -25.270 14.773 1.00 0.00 C ATOM 1173 CD1 LEU A 82 -1.244 -24.399 13.955 1.00 0.00 C ATOM 1174 CD2 LEU A 82 -1.491 -26.558 15.194 1.00 0.00 C ATOM 0 H LEU A 82 -4.043 -22.775 17.695 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.227 -22.774 14.848 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.830 -24.158 16.565 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.231 -25.209 16.637 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.041 -25.528 14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.893 -24.957 13.087 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.772 -23.505 13.622 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.391 -24.109 14.569 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.136 -27.086 14.309 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.645 -26.321 15.839 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.194 -27.190 15.736 1.00 0.00 H new ATOM 1186 N THR A 83 -5.312 -23.966 14.122 1.00 0.00 N ATOM 1187 CA THR A 83 -6.627 -24.426 13.692 1.00 0.00 C ATOM 1188 C THR A 83 -6.710 -25.948 13.714 1.00 0.00 C ATOM 1189 O THR A 83 -5.693 -26.637 13.631 1.00 0.00 O ATOM 1190 CB THR A 83 -6.962 -23.925 12.275 1.00 0.00 C ATOM 1191 OG1 THR A 83 -8.265 -24.379 11.891 1.00 0.00 O ATOM 1192 CG2 THR A 83 -5.932 -24.416 11.269 1.00 0.00 C ATOM 0 H THR A 83 -4.658 -23.789 13.360 1.00 0.00 H new ATOM 0 HA THR A 83 -7.352 -24.015 14.395 1.00 0.00 H new ATOM 0 HB THR A 83 -6.945 -22.835 12.285 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.472 -24.055 10.989 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.190 -24.049 10.276 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.946 -24.045 11.548 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.921 -25.506 11.262 1.00 0.00 H new ATOM 1200 N VAL A 84 -7.929 -26.468 13.826 1.00 0.00 N ATOM 1201 CA VAL A 84 -8.145 -27.909 13.857 1.00 0.00 C ATOM 1202 C VAL A 84 -9.011 -28.360 12.685 1.00 0.00 C ATOM 1203 O VAL A 84 -10.234 -28.436 12.797 1.00 0.00 O ATOM 1204 CB VAL A 84 -8.813 -28.348 15.173 1.00 0.00 C ATOM 1205 CG1 VAL A 84 -8.865 -29.866 15.266 1.00 0.00 C ATOM 1206 CG2 VAL A 84 -8.077 -27.758 16.366 1.00 0.00 C ATOM 0 H VAL A 84 -8.781 -25.912 13.897 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.164 -28.378 13.782 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.836 -27.972 15.184 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.340 -30.157 16.203 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.440 -30.262 14.429 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.852 -30.267 15.233 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.562 -28.078 17.288 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.043 -28.102 16.362 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.098 -26.670 16.304 1.00 0.00 H new ATOM 1216 N VAL A 85 -8.367 -28.659 11.562 1.00 0.00 N ATOM 1217 CA VAL A 85 -9.077 -29.104 10.369 1.00 0.00 C ATOM 1218 C VAL A 85 -9.767 -30.443 10.608 1.00 0.00 C ATOM 1219 O VAL A 85 -9.698 -31.002 11.701 1.00 0.00 O ATOM 1220 CB VAL A 85 -8.125 -29.237 9.165 1.00 0.00 C ATOM 1221 CG1 VAL A 85 -7.404 -27.923 8.906 1.00 0.00 C ATOM 1222 CG2 VAL A 85 -7.129 -30.364 9.396 1.00 0.00 C ATOM 0 H VAL A 85 -7.354 -28.601 11.453 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.828 -28.346 10.146 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.716 -29.480 8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.736 -28.037 8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.135 -27.143 8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.824 -27.647 9.786 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.464 -30.444 8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.542 -30.153 10.290 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.666 -31.303 9.528 1.00 0.00 H new ATOM 1232 N GLY A 86 -10.432 -30.952 9.575 1.00 0.00 N ATOM 1233 CA GLY A 86 -11.125 -32.222 9.693 1.00 0.00 C ATOM 1234 C GLY A 86 -12.632 -32.062 9.694 1.00 0.00 C ATOM 1235 O GLY A 86 -13.149 -30.982 9.408 1.00 0.00 O ATOM 0 H GLY A 86 -10.503 -30.508 8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.832 -32.870 8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.815 -32.718 10.613 1.00 0.00 H new ATOM 1239 N ASP A 87 -13.340 -33.140 10.014 1.00 0.00 N ATOM 1240 CA ASP A 87 -14.797 -33.115 10.050 1.00 0.00 C ATOM 1241 C ASP A 87 -15.298 -32.191 11.155 1.00 0.00 C ATOM 1242 O ASP A 87 -14.692 -32.099 12.223 1.00 0.00 O ATOM 1243 CB ASP A 87 -15.348 -34.527 10.260 1.00 0.00 C ATOM 1244 CG ASP A 87 -16.789 -34.659 9.809 1.00 0.00 C ATOM 1245 OD1 ASP A 87 -17.666 -34.019 10.427 1.00 0.00 O ATOM 1246 OD2 ASP A 87 -17.040 -35.402 8.837 1.00 0.00 O ATOM 0 H ASP A 87 -12.928 -34.042 10.252 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.152 -32.733 9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -14.732 -35.240 9.711 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -15.275 -34.789 11.316 1.00 0.00 H new ATOM 1251 N TRP A 88 -16.406 -31.508 10.891 1.00 0.00 N ATOM 1252 CA TRP A 88 -16.987 -30.589 11.864 1.00 0.00 C ATOM 1253 C TRP A 88 -18.153 -31.241 12.599 1.00 0.00 C ATOM 1254 O TRP A 88 -18.370 -32.449 12.491 1.00 0.00 O ATOM 1255 CB TRP A 88 -17.457 -29.310 11.170 1.00 0.00 C ATOM 1256 CG TRP A 88 -16.589 -28.906 10.016 1.00 0.00 C ATOM 1257 CD1 TRP A 88 -16.954 -28.836 8.702 1.00 0.00 C ATOM 1258 CD2 TRP A 88 -15.212 -28.520 10.074 1.00 0.00 C ATOM 1259 NE1 TRP A 88 -15.885 -28.429 7.939 1.00 0.00 N ATOM 1260 CE2 TRP A 88 -14.806 -28.227 8.757 1.00 0.00 C ATOM 1261 CE3 TRP A 88 -14.283 -28.390 11.110 1.00 0.00 C ATOM 1262 CZ2 TRP A 88 -13.511 -27.815 8.452 1.00 0.00 C ATOM 1263 CZ3 TRP A 88 -12.999 -27.981 10.805 1.00 0.00 C ATOM 1264 CH2 TRP A 88 -12.622 -27.697 9.486 1.00 0.00 C ATOM 0 H TRP A 88 -16.920 -31.573 10.012 1.00 0.00 H new ATOM 0 HA TRP A 88 -16.217 -30.337 12.593 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -18.478 -29.452 10.815 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -17.482 -28.499 11.898 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -17.937 -29.066 8.319 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -15.894 -28.299 6.927 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -14.564 -28.605 12.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -13.219 -27.596 7.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -12.273 -27.878 11.598 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -11.610 -27.379 9.281 1.00 0.00 H new ATOM 1275 N LEU A 89 -18.900 -30.436 13.346 1.00 0.00 N ATOM 1276 CA LEU A 89 -20.045 -30.935 14.100 1.00 0.00 C ATOM 1277 C LEU A 89 -21.305 -30.935 13.240 1.00 0.00 C ATOM 1278 O LEU A 89 -22.341 -30.407 13.640 1.00 0.00 O ATOM 1279 CB LEU A 89 -20.267 -30.084 15.351 1.00 0.00 C ATOM 1280 CG LEU A 89 -19.362 -30.394 16.544 1.00 0.00 C ATOM 1281 CD1 LEU A 89 -19.524 -31.844 16.974 1.00 0.00 C ATOM 1282 CD2 LEU A 89 -17.909 -30.097 16.202 1.00 0.00 C ATOM 0 H LEU A 89 -18.734 -29.435 13.446 1.00 0.00 H new ATOM 0 HA LEU A 89 -19.832 -31.961 14.400 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -20.133 -29.036 15.082 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -21.304 -30.202 15.667 1.00 0.00 H new ATOM 0 HG LEU A 89 -19.657 -29.754 17.376 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -18.872 -32.046 17.824 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -20.560 -32.025 17.260 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -19.256 -32.501 16.147 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -17.279 -30.323 17.062 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -17.602 -30.711 15.356 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -17.804 -29.043 15.943 1.00 0.00 H new ATOM 1294 N GLY A 90 -21.207 -31.531 12.056 1.00 0.00 N ATOM 1295 CA GLY A 90 -22.346 -31.590 11.159 1.00 0.00 C ATOM 1296 C GLY A 90 -23.551 -32.255 11.794 1.00 0.00 C ATOM 1297 O GLY A 90 -23.518 -32.623 12.969 1.00 0.00 O ATOM 0 H GLY A 90 -20.359 -31.974 11.702 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -22.614 -30.580 10.850 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -22.067 -32.136 10.258 1.00 0.00 H new ATOM 1301 N ASP A 91 -24.618 -32.409 11.018 1.00 0.00 N ATOM 1302 CA ASP A 91 -25.840 -33.034 11.512 1.00 0.00 C ATOM 1303 C ASP A 91 -26.466 -33.924 10.443 1.00 0.00 C ATOM 1304 O ASP A 91 -26.734 -33.476 9.329 1.00 0.00 O ATOM 1305 CB ASP A 91 -26.841 -31.966 11.955 1.00 0.00 C ATOM 1306 CG ASP A 91 -26.976 -30.844 10.945 1.00 0.00 C ATOM 1307 OD1 ASP A 91 -26.167 -29.894 11.001 1.00 0.00 O ATOM 1308 OD2 ASP A 91 -27.890 -30.917 10.097 1.00 0.00 O ATOM 0 H ASP A 91 -24.662 -32.110 10.044 1.00 0.00 H new ATOM 0 HA ASP A 91 -25.580 -33.655 12.369 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -27.815 -32.429 12.112 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -26.526 -31.552 12.913 1.00 0.00 H new ATOM 1313 N ALA A 92 -26.694 -35.186 10.791 1.00 0.00 N ATOM 1314 CA ALA A 92 -27.290 -36.138 9.861 1.00 0.00 C ATOM 1315 C ALA A 92 -28.359 -36.981 10.549 1.00 0.00 C ATOM 1316 O ALA A 92 -28.079 -37.684 11.520 1.00 0.00 O ATOM 1317 CB ALA A 92 -26.215 -37.032 9.261 1.00 0.00 C ATOM 0 H ALA A 92 -26.475 -35.573 11.709 1.00 0.00 H new ATOM 0 HA ALA A 92 -27.768 -35.575 9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -26.674 -37.738 8.569 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -25.489 -36.419 8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -25.711 -37.580 10.057 1.00 0.00 H new ATOM 1323 N ARG A 93 -29.583 -36.906 10.039 1.00 0.00 N ATOM 1324 CA ARG A 93 -30.695 -37.661 10.605 1.00 0.00 C ATOM 1325 C ARG A 93 -31.444 -38.424 9.517 1.00 0.00 C ATOM 1326 O ARG A 93 -31.230 -38.196 8.327 1.00 0.00 O ATOM 1327 CB ARG A 93 -31.655 -36.722 11.338 1.00 0.00 C ATOM 1328 CG ARG A 93 -32.134 -35.556 10.489 1.00 0.00 C ATOM 1329 CD ARG A 93 -33.555 -35.151 10.848 1.00 0.00 C ATOM 1330 NE ARG A 93 -33.629 -33.771 11.319 1.00 0.00 N ATOM 1331 CZ ARG A 93 -33.253 -33.387 12.534 1.00 0.00 C ATOM 1332 NH1 ARG A 93 -32.780 -34.276 13.396 1.00 0.00 N ATOM 1333 NH2 ARG A 93 -33.350 -32.112 12.888 1.00 0.00 N ATOM 0 H ARG A 93 -29.831 -36.330 9.234 1.00 0.00 H new ATOM 0 HA ARG A 93 -30.289 -38.381 11.315 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -32.520 -37.293 11.677 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -31.160 -36.333 12.228 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -31.466 -34.706 10.627 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -32.088 -35.829 9.435 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -34.197 -35.271 9.976 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -33.938 -35.818 11.620 1.00 0.00 H new ATOM 0 HE ARG A 93 -33.989 -33.062 10.680 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -32.704 -35.257 13.127 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -32.492 -33.979 14.328 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -33.714 -31.425 12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -33.061 -31.818 13.821 1.00 0.00 H new ATOM 1347 N GLU A 94 -32.321 -39.331 9.935 1.00 0.00 N ATOM 1348 CA GLU A 94 -33.100 -40.129 8.995 1.00 0.00 C ATOM 1349 C GLU A 94 -34.549 -40.255 9.459 1.00 0.00 C ATOM 1350 O GLU A 94 -34.842 -40.153 10.649 1.00 0.00 O ATOM 1351 CB GLU A 94 -32.482 -41.520 8.837 1.00 0.00 C ATOM 1352 CG GLU A 94 -32.898 -42.229 7.560 1.00 0.00 C ATOM 1353 CD GLU A 94 -32.171 -41.705 6.337 1.00 0.00 C ATOM 1354 OE1 GLU A 94 -30.931 -41.847 6.279 1.00 0.00 O ATOM 1355 OE2 GLU A 94 -32.840 -41.152 5.440 1.00 0.00 O ATOM 0 H GLU A 94 -32.510 -39.532 10.917 1.00 0.00 H new ATOM 0 HA GLU A 94 -33.087 -39.622 8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -31.396 -41.430 8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.765 -42.134 9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -32.705 -43.297 7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -33.972 -42.111 7.417 1.00 0.00 H new ATOM 1362 N ASN A 95 -35.451 -40.475 8.508 1.00 0.00 N ATOM 1363 CA ASN A 95 -36.870 -40.614 8.817 1.00 0.00 C ATOM 1364 C ASN A 95 -37.115 -41.824 9.713 1.00 0.00 C ATOM 1365 O ASN A 95 -36.323 -42.766 9.733 1.00 0.00 O ATOM 1366 CB ASN A 95 -37.684 -40.746 7.529 1.00 0.00 C ATOM 1367 CG ASN A 95 -37.081 -41.748 6.564 1.00 0.00 C ATOM 1368 OD1 ASN A 95 -36.058 -41.482 5.933 1.00 0.00 O ATOM 1369 ND2 ASN A 95 -37.714 -42.909 6.445 1.00 0.00 N ATOM 0 H ASN A 95 -35.225 -40.561 7.517 1.00 0.00 H new ATOM 0 HA ASN A 95 -37.190 -39.718 9.350 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -38.702 -41.050 7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -37.751 -39.773 7.043 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -37.355 -43.623 5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -38.559 -43.087 6.988 1.00 0.00 H new ATOM 1376 N ASP A 96 -38.218 -41.791 10.453 1.00 0.00 N ATOM 1377 CA ASP A 96 -38.570 -42.886 11.350 1.00 0.00 C ATOM 1378 C ASP A 96 -39.407 -43.935 10.625 1.00 0.00 C ATOM 1379 O ASP A 96 -39.962 -43.673 9.557 1.00 0.00 O ATOM 1380 CB ASP A 96 -39.336 -42.354 12.562 1.00 0.00 C ATOM 1381 CG ASP A 96 -39.350 -43.338 13.716 1.00 0.00 C ATOM 1382 OD1 ASP A 96 -40.254 -44.198 13.750 1.00 0.00 O ATOM 1383 OD2 ASP A 96 -38.457 -43.247 14.584 1.00 0.00 O ATOM 0 H ASP A 96 -38.884 -41.018 10.449 1.00 0.00 H new ATOM 0 HA ASP A 96 -37.647 -43.355 11.690 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -38.884 -41.418 12.892 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -40.361 -42.127 12.269 1.00 0.00 H new ATOM 1388 N LEU A 97 -39.492 -45.124 11.210 1.00 0.00 N ATOM 1389 CA LEU A 97 -40.260 -46.215 10.620 1.00 0.00 C ATOM 1390 C LEU A 97 -41.558 -46.445 11.387 1.00 0.00 C ATOM 1391 O LEU A 97 -41.589 -47.194 12.363 1.00 0.00 O ATOM 1392 CB LEU A 97 -39.430 -47.499 10.603 1.00 0.00 C ATOM 1393 CG LEU A 97 -39.888 -48.582 9.625 1.00 0.00 C ATOM 1394 CD1 LEU A 97 -39.808 -48.075 8.193 1.00 0.00 C ATOM 1395 CD2 LEU A 97 -39.051 -49.842 9.794 1.00 0.00 C ATOM 0 H LEU A 97 -39.038 -45.358 12.093 1.00 0.00 H new ATOM 0 HA LEU A 97 -40.509 -45.938 9.596 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -38.398 -47.238 10.367 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -39.430 -47.921 11.608 1.00 0.00 H new ATOM 0 HG LEU A 97 -40.927 -48.828 9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -40.138 -48.859 7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -40.450 -47.202 8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -38.779 -47.801 7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -39.391 -50.602 9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -38.003 -49.611 9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -39.159 -50.216 10.812 1.00 0.00 H new ATOM 1407 N GLU A 98 -42.628 -45.796 10.938 1.00 0.00 N ATOM 1408 CA GLU A 98 -43.929 -45.931 11.583 1.00 0.00 C ATOM 1409 C GLU A 98 -44.401 -47.382 11.556 1.00 0.00 C ATOM 1410 O GLU A 98 -44.554 -47.977 10.489 1.00 0.00 O ATOM 1411 CB GLU A 98 -44.960 -45.035 10.894 1.00 0.00 C ATOM 1412 CG GLU A 98 -46.370 -45.202 11.435 1.00 0.00 C ATOM 1413 CD GLU A 98 -47.212 -43.952 11.267 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -47.467 -43.560 10.109 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -47.615 -43.365 12.293 1.00 0.00 O ATOM 0 H GLU A 98 -42.620 -45.172 10.131 1.00 0.00 H new ATOM 0 HA GLU A 98 -43.825 -45.620 12.622 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -44.657 -43.994 11.007 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -44.962 -45.252 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -46.855 -46.034 10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -46.321 -45.463 12.492 1.00 0.00 H new ATOM 1422 N HIS A 99 -44.631 -47.946 12.738 1.00 0.00 N ATOM 1423 CA HIS A 99 -45.085 -49.327 12.851 1.00 0.00 C ATOM 1424 C HIS A 99 -46.564 -49.383 13.224 1.00 0.00 C ATOM 1425 O HIS A 99 -46.941 -49.085 14.358 1.00 0.00 O ATOM 1426 CB HIS A 99 -44.256 -50.076 13.894 1.00 0.00 C ATOM 1427 CG HIS A 99 -44.762 -51.455 14.185 1.00 0.00 C ATOM 1428 ND1 HIS A 99 -44.907 -52.424 13.215 1.00 0.00 N ATOM 1429 CD2 HIS A 99 -45.158 -52.025 15.347 1.00 0.00 C ATOM 1430 CE1 HIS A 99 -45.371 -53.530 13.767 1.00 0.00 C ATOM 1431 NE2 HIS A 99 -45.531 -53.315 15.060 1.00 0.00 N ATOM 0 H HIS A 99 -44.510 -47.468 13.631 1.00 0.00 H new ATOM 0 HA HIS A 99 -44.953 -49.807 11.881 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -43.225 -50.142 13.547 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -44.245 -49.500 14.819 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -45.177 -51.553 16.318 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -45.584 -54.454 13.249 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -45.876 -53.997 15.736 1.00 0.00 H new ATOM 1439 N HIS A 100 -47.398 -49.766 12.262 1.00 0.00 N ATOM 1440 CA HIS A 100 -48.835 -49.861 12.489 1.00 0.00 C ATOM 1441 C HIS A 100 -49.196 -51.197 13.132 1.00 0.00 C ATOM 1442 O HIS A 100 -48.363 -52.100 13.222 1.00 0.00 O ATOM 1443 CB HIS A 100 -49.593 -49.695 11.172 1.00 0.00 C ATOM 1444 CG HIS A 100 -50.959 -49.103 11.338 1.00 0.00 C ATOM 1445 ND1 HIS A 100 -51.991 -49.331 10.452 1.00 0.00 N ATOM 1446 CD2 HIS A 100 -51.461 -48.288 12.295 1.00 0.00 C ATOM 1447 CE1 HIS A 100 -53.068 -48.681 10.857 1.00 0.00 C ATOM 1448 NE2 HIS A 100 -52.772 -48.041 11.974 1.00 0.00 N ATOM 0 H HIS A 100 -47.103 -50.015 11.318 1.00 0.00 H new ATOM 0 HA HIS A 100 -49.124 -49.060 13.169 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -49.010 -49.061 10.504 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -49.684 -50.668 10.689 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -50.928 -47.903 13.152 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -54.027 -48.674 10.360 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -53.414 -47.458 12.511 1.00 0.00 H new ATOM 1456 N HIS A 101 -50.443 -51.316 13.579 1.00 0.00 N ATOM 1457 CA HIS A 101 -50.914 -52.541 14.214 1.00 0.00 C ATOM 1458 C HIS A 101 -51.189 -53.622 13.173 1.00 0.00 C ATOM 1459 O HIS A 101 -51.306 -53.334 11.981 1.00 0.00 O ATOM 1460 CB HIS A 101 -52.179 -52.265 15.027 1.00 0.00 C ATOM 1461 CG HIS A 101 -52.353 -53.186 16.196 1.00 0.00 C ATOM 1462 ND1 HIS A 101 -53.587 -53.532 16.705 1.00 0.00 N ATOM 1463 CD2 HIS A 101 -51.439 -53.835 16.955 1.00 0.00 C ATOM 1464 CE1 HIS A 101 -53.425 -54.352 17.727 1.00 0.00 C ATOM 1465 NE2 HIS A 101 -52.130 -54.553 17.900 1.00 0.00 N ATOM 0 H HIS A 101 -51.145 -50.579 13.513 1.00 0.00 H new ATOM 0 HA HIS A 101 -50.132 -52.898 14.884 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -52.153 -51.236 15.386 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -53.047 -52.352 14.374 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -50.366 -53.795 16.839 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -54.216 -54.785 18.321 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -51.712 -55.145 18.618 1.00 0.00 H new ATOM 1473 N HIS A 102 -51.292 -54.865 13.631 1.00 0.00 N ATOM 1474 CA HIS A 102 -51.553 -55.989 12.738 1.00 0.00 C ATOM 1475 C HIS A 102 -50.534 -56.031 11.604 1.00 0.00 C ATOM 1476 O HIS A 102 -50.895 -56.179 10.436 1.00 0.00 O ATOM 1477 CB HIS A 102 -52.968 -55.895 12.166 1.00 0.00 C ATOM 1478 CG HIS A 102 -53.447 -57.168 11.540 1.00 0.00 C ATOM 1479 ND1 HIS A 102 -53.108 -58.416 12.019 1.00 0.00 N ATOM 1480 CD2 HIS A 102 -54.246 -57.382 10.469 1.00 0.00 C ATOM 1481 CE1 HIS A 102 -53.676 -59.343 11.268 1.00 0.00 C ATOM 1482 NE2 HIS A 102 -54.372 -58.741 10.320 1.00 0.00 N ATOM 0 H HIS A 102 -51.199 -55.120 14.614 1.00 0.00 H new ATOM 0 HA HIS A 102 -51.463 -56.909 13.316 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -53.655 -55.611 12.963 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -52.998 -55.100 11.421 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -54.700 -56.625 9.847 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -53.587 -60.410 11.406 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -54.915 -59.210 9.595 1.00 0.00 H new ATOM 1490 N HIS A 103 -49.259 -55.898 11.955 1.00 0.00 N ATOM 1491 CA HIS A 103 -48.187 -55.919 10.966 1.00 0.00 C ATOM 1492 C HIS A 103 -47.216 -57.063 11.242 1.00 0.00 C ATOM 1493 O HIS A 103 -46.060 -56.837 11.603 1.00 0.00 O ATOM 1494 CB HIS A 103 -47.437 -54.587 10.966 1.00 0.00 C ATOM 1495 CG HIS A 103 -48.023 -53.570 10.036 1.00 0.00 C ATOM 1496 ND1 HIS A 103 -47.295 -52.525 9.507 1.00 0.00 N ATOM 1497 CD2 HIS A 103 -49.276 -53.442 9.540 1.00 0.00 C ATOM 1498 CE1 HIS A 103 -48.074 -51.798 8.727 1.00 0.00 C ATOM 1499 NE2 HIS A 103 -49.282 -52.333 8.730 1.00 0.00 N ATOM 0 H HIS A 103 -48.943 -55.775 12.917 1.00 0.00 H new ATOM 0 HA HIS A 103 -48.635 -56.074 9.985 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -47.432 -54.182 11.978 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -46.398 -54.765 10.689 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -50.115 -54.091 9.743 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -47.775 -50.916 8.180 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -50.088 -51.980 8.214 1.00 0.00 H new ATOM 1507 N HIS A 104 -47.693 -58.292 11.072 1.00 0.00 N ATOM 1508 CA HIS A 104 -46.866 -59.472 11.303 1.00 0.00 C ATOM 1509 C HIS A 104 -45.742 -59.558 10.275 1.00 0.00 C ATOM 1510 O HIS A 104 -44.575 -59.334 10.597 1.00 0.00 O ATOM 1511 CB HIS A 104 -47.721 -60.738 11.248 1.00 0.00 C ATOM 1512 CG HIS A 104 -48.167 -61.100 9.864 1.00 0.00 C ATOM 1513 ND1 HIS A 104 -48.231 -62.401 9.410 1.00 0.00 N ATOM 1514 CD2 HIS A 104 -48.575 -60.323 8.834 1.00 0.00 C ATOM 1515 CE1 HIS A 104 -48.656 -62.407 8.160 1.00 0.00 C ATOM 1516 NE2 HIS A 104 -48.873 -61.159 7.786 1.00 0.00 N ATOM 0 H HIS A 104 -48.647 -58.497 10.775 1.00 0.00 H new ATOM 0 HA HIS A 104 -46.421 -59.385 12.294 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -47.153 -61.569 11.667 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -48.599 -60.602 11.880 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -48.652 -59.246 8.836 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -48.802 -63.284 7.547 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -49.207 -60.864 6.869 1.00 0.00 H new TER 1524 HIS A 104