USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 677 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 45 LYS NZ :NH3+ 152:sc= -0.0111 (180deg=0) USER MOD Set 1.2: A 47 MET CE :methyl -130:sc= -0.767 (180deg=-0.316) USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0119 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0325! USER MOD Single : A 13 GLN : amide:sc= -0.546 X(o=-0.55,f=-0.56) USER MOD Single : A 15 ASN : amide:sc= -9.88! C(o=-9.9!,f=-13!) USER MOD Single : A 19 SER OG : rot 45:sc= -1.05! USER MOD Single : A 20 GLN : amide:sc= -1.05 K(o=-1.1,f=-2) USER MOD Single : A 27 GLN : amide:sc= -0.0308 X(o=-0.031,f=0.13) USER MOD Single : A 29 MET CE :methyl -134:sc= -0.151 (180deg=-2.72!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.00922 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 127:sc= 1.27 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -142:sc= -0.654 (180deg=-1.26) USER MOD Single : A 46 THR OG1 : rot -90:sc= 0.408 USER MOD Single : A 50 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.044) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= -1.03 (180deg=-2.06!) USER MOD Single : A 52 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.75) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 42:sc= 0.483 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= -0.485 (180deg=-2.04!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.2) USER MOD Single : A 69 THR OG1 : rot -56:sc= -0.736! USER MOD Single : A 71 MET CE :methyl 140:sc= -3.68! (180deg=-6.14!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -7.25! C(o=-7.2!,f=-18!) USER MOD Single : A 79 HIS : no HD1:sc= -14.9! C(o=-15!,f=-13!) USER MOD Single : A 80 THR OG1 : rot 170:sc= -2.48! USER MOD Single : A 83 HIS : no HE2:sc= -4.86! C(o=-4.9!,f=-6!) USER MOD Single : A 85 SER OG : rot -100:sc= -0.207 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0.185 K(o=0.18,f=-1.7!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -99:sc= 0.0666 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.715 13.480 21.299 1.00 0.00 N ATOM 2 CA ALA A 1 3.887 13.613 20.072 1.00 0.00 C ATOM 3 C ALA A 1 4.729 13.403 18.818 1.00 0.00 C ATOM 4 O ALA A 1 5.878 13.838 18.748 1.00 0.00 O ATOM 5 CB ALA A 1 3.217 14.978 20.035 1.00 0.00 C ATOM 0 H1 ALA A 1 4.489 14.254 21.956 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.514 12.568 21.756 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.722 13.525 21.045 1.00 0.00 H new ATOM 0 HA ALA A 1 3.117 12.842 20.096 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.613 15.063 19.131 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.578 15.093 20.910 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.979 15.757 20.037 1.00 0.00 H new ATOM 13 N PRO A 2 4.161 12.726 17.808 1.00 0.00 N ATOM 14 CA PRO A 2 4.854 12.450 16.549 1.00 0.00 C ATOM 15 C PRO A 2 4.837 13.647 15.604 1.00 0.00 C ATOM 16 O PRO A 2 4.073 14.592 15.799 1.00 0.00 O ATOM 17 CB PRO A 2 4.044 11.294 15.966 1.00 0.00 C ATOM 18 CG PRO A 2 2.658 11.522 16.464 1.00 0.00 C ATOM 19 CD PRO A 2 2.794 12.171 17.819 1.00 0.00 C ATOM 0 HA PRO A 2 5.910 12.225 16.696 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.079 11.294 14.877 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.432 10.331 16.298 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.100 12.162 15.781 1.00 0.00 H new ATOM 0 HG3 PRO A 2 2.112 10.582 16.537 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.047 12.951 17.966 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.662 11.448 18.624 1.00 0.00 H new ATOM 27 N ASP A 3 5.683 13.601 14.580 1.00 0.00 N ATOM 28 CA ASP A 3 5.764 14.683 13.605 1.00 0.00 C ATOM 29 C ASP A 3 4.499 14.745 12.754 1.00 0.00 C ATOM 30 O ASP A 3 4.069 15.822 12.341 1.00 0.00 O ATOM 31 CB ASP A 3 6.991 14.501 12.709 1.00 0.00 C ATOM 32 CG ASP A 3 6.974 13.182 11.961 1.00 0.00 C ATOM 33 OD1 ASP A 3 6.144 13.032 11.040 1.00 0.00 O ATOM 34 OD2 ASP A 3 7.791 12.299 12.297 1.00 0.00 O ATOM 0 H ASP A 3 6.322 12.826 14.404 1.00 0.00 H new ATOM 0 HA ASP A 3 5.859 15.623 14.149 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.038 15.321 11.992 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.893 14.558 13.318 1.00 0.00 H new ATOM 39 N VAL A 4 3.906 13.584 12.496 1.00 0.00 N ATOM 40 CA VAL A 4 2.688 13.505 11.697 1.00 0.00 C ATOM 41 C VAL A 4 2.771 14.406 10.469 1.00 0.00 C ATOM 42 O VAL A 4 2.143 15.463 10.420 1.00 0.00 O ATOM 43 CB VAL A 4 1.447 13.900 12.520 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.231 13.097 12.080 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.712 13.712 14.005 1.00 0.00 C ATOM 0 H VAL A 4 4.250 12.683 12.829 1.00 0.00 H new ATOM 0 HA VAL A 4 2.591 12.467 11.378 1.00 0.00 H new ATOM 0 HB VAL A 4 1.237 14.955 12.342 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.634 13.392 12.674 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.030 13.289 11.026 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.425 12.034 12.224 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.825 13.996 14.572 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.950 12.667 14.203 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.551 14.339 14.307 1.00 0.00 H new ATOM 55 N GLN A 5 3.547 13.980 9.478 1.00 0.00 N ATOM 56 CA GLN A 5 3.707 14.748 8.248 1.00 0.00 C ATOM 57 C GLN A 5 3.998 13.827 7.067 1.00 0.00 C ATOM 58 O GLN A 5 4.115 12.612 7.227 1.00 0.00 O ATOM 59 CB GLN A 5 4.834 15.773 8.401 1.00 0.00 C ATOM 60 CG GLN A 5 6.204 15.234 8.024 1.00 0.00 C ATOM 61 CD GLN A 5 7.275 16.307 8.035 1.00 0.00 C ATOM 62 OE1 GLN A 5 8.300 16.171 8.702 1.00 0.00 O ATOM 63 NE2 GLN A 5 7.039 17.383 7.294 1.00 0.00 N ATOM 0 H GLN A 5 4.075 13.108 9.502 1.00 0.00 H new ATOM 0 HA GLN A 5 2.773 15.275 8.055 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.611 16.641 7.780 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.861 16.119 9.434 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.482 14.441 8.718 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.154 14.786 7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.175 17.453 6.757 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.722 18.140 7.262 1.00 0.00 H new ATOM 72 N ASP A 6 4.113 14.412 5.879 1.00 0.00 N ATOM 73 CA ASP A 6 4.390 13.639 4.674 1.00 0.00 C ATOM 74 C ASP A 6 3.424 12.465 4.551 1.00 0.00 C ATOM 75 O ASP A 6 3.728 11.351 4.977 1.00 0.00 O ATOM 76 CB ASP A 6 5.832 13.131 4.692 1.00 0.00 C ATOM 77 CG ASP A 6 6.102 12.116 3.599 1.00 0.00 C ATOM 78 OD1 ASP A 6 5.606 12.314 2.470 1.00 0.00 O ATOM 79 OD2 ASP A 6 6.810 11.124 3.871 1.00 0.00 O ATOM 0 H ASP A 6 4.019 15.416 5.725 1.00 0.00 H new ATOM 0 HA ASP A 6 4.253 14.291 3.811 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.513 13.974 4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 6 6.044 12.681 5.662 1.00 0.00 H new ATOM 84 N CYS A 7 2.257 12.726 3.972 1.00 0.00 N ATOM 85 CA CYS A 7 1.242 11.694 3.798 1.00 0.00 C ATOM 86 C CYS A 7 0.476 11.896 2.493 1.00 0.00 C ATOM 87 O CYS A 7 -0.680 12.321 2.499 1.00 0.00 O ATOM 88 CB CYS A 7 0.269 11.708 4.979 1.00 0.00 C ATOM 89 SG CYS A 7 0.152 10.122 5.864 1.00 0.00 S ATOM 0 H CYS A 7 1.991 13.644 3.615 1.00 0.00 H new ATOM 0 HA CYS A 7 1.744 10.728 3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.578 12.482 5.682 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.721 11.984 4.617 1.00 0.00 H new ATOM 94 N PRO A 8 1.118 11.598 1.353 1.00 0.00 N ATOM 95 CA PRO A 8 0.512 11.749 0.030 1.00 0.00 C ATOM 96 C PRO A 8 -0.475 10.630 -0.298 1.00 0.00 C ATOM 97 O PRO A 8 -0.781 10.386 -1.465 1.00 0.00 O ATOM 98 CB PRO A 8 1.711 11.698 -0.934 1.00 0.00 C ATOM 99 CG PRO A 8 2.933 11.648 -0.070 1.00 0.00 C ATOM 100 CD PRO A 8 2.490 11.101 1.256 1.00 0.00 C ATOM 0 HA PRO A 8 -0.068 12.670 -0.037 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.655 10.823 -1.581 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.727 12.574 -1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.699 11.013 -0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.369 12.640 0.045 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.531 10.012 1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.113 11.463 2.074 1.00 0.00 H new ATOM 108 N GLU A 9 -0.974 9.955 0.733 1.00 0.00 N ATOM 109 CA GLU A 9 -1.929 8.869 0.542 1.00 0.00 C ATOM 110 C GLU A 9 -1.216 7.566 0.197 1.00 0.00 C ATOM 111 O GLU A 9 -0.160 7.571 -0.433 1.00 0.00 O ATOM 112 CB GLU A 9 -2.921 9.232 -0.566 1.00 0.00 C ATOM 113 CG GLU A 9 -4.210 8.430 -0.523 1.00 0.00 C ATOM 114 CD GLU A 9 -4.367 7.515 -1.722 1.00 0.00 C ATOM 115 OE1 GLU A 9 -3.349 6.949 -2.173 1.00 0.00 O ATOM 116 OE2 GLU A 9 -5.507 7.364 -2.208 1.00 0.00 O ATOM 0 H GLU A 9 -0.734 10.140 1.707 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.470 8.724 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.162 10.293 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.442 9.080 -1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.233 7.834 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.058 9.114 -0.479 1.00 0.00 H new ATOM 123 N CYS A 10 -1.807 6.452 0.617 1.00 0.00 N ATOM 124 CA CYS A 10 -1.237 5.135 0.357 1.00 0.00 C ATOM 125 C CYS A 10 -0.603 5.078 -1.029 1.00 0.00 C ATOM 126 O CYS A 10 -1.283 4.829 -2.023 1.00 0.00 O ATOM 127 CB CYS A 10 -2.316 4.059 0.479 1.00 0.00 C ATOM 128 SG CYS A 10 -1.782 2.405 -0.067 1.00 0.00 S ATOM 0 H CYS A 10 -2.683 6.435 1.140 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.460 4.950 1.099 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.639 4.000 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.183 4.361 -0.108 1.00 0.00 H new ATOM 133 N THR A 11 0.705 5.310 -1.085 1.00 0.00 N ATOM 134 CA THR A 11 1.432 5.284 -2.348 1.00 0.00 C ATOM 135 C THR A 11 2.786 4.611 -2.167 1.00 0.00 C ATOM 136 O THR A 11 2.919 3.679 -1.377 1.00 0.00 O ATOM 137 CB THR A 11 1.611 6.706 -2.884 1.00 0.00 C ATOM 138 OG1 THR A 11 2.509 6.726 -3.980 1.00 0.00 O ATOM 139 CG2 THR A 11 2.132 7.678 -1.844 1.00 0.00 C ATOM 0 H THR A 11 1.282 5.518 -0.270 1.00 0.00 H new ATOM 0 HA THR A 11 0.854 4.709 -3.071 1.00 0.00 H new ATOM 0 HB THR A 11 0.614 7.024 -3.189 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.606 7.645 -4.307 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.236 8.667 -2.290 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.432 7.728 -1.010 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.103 7.339 -1.483 1.00 0.00 H new ATOM 147 N LEU A 12 3.789 5.084 -2.900 1.00 0.00 N ATOM 148 CA LEU A 12 5.125 4.517 -2.808 1.00 0.00 C ATOM 149 C LEU A 12 6.135 5.558 -2.362 1.00 0.00 C ATOM 150 O LEU A 12 6.085 6.713 -2.783 1.00 0.00 O ATOM 151 CB LEU A 12 5.553 3.931 -4.150 1.00 0.00 C ATOM 152 CG LEU A 12 5.114 2.490 -4.391 1.00 0.00 C ATOM 153 CD1 LEU A 12 3.720 2.260 -3.834 1.00 0.00 C ATOM 154 CD2 LEU A 12 5.167 2.172 -5.873 1.00 0.00 C ATOM 0 H LEU A 12 3.700 5.856 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 12 5.093 3.722 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.151 4.556 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.639 3.981 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 12 5.798 1.819 -3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.422 1.227 -4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.720 2.456 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.016 2.932 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.852 1.141 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.501 2.845 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.186 2.301 -6.237 1.00 0.00 H new ATOM 166 N GLN A 13 7.060 5.133 -1.516 1.00 0.00 N ATOM 167 CA GLN A 13 8.098 6.019 -1.019 1.00 0.00 C ATOM 168 C GLN A 13 9.348 5.852 -1.836 1.00 0.00 C ATOM 169 O GLN A 13 10.458 5.783 -1.311 1.00 0.00 O ATOM 170 CB GLN A 13 8.395 5.723 0.427 1.00 0.00 C ATOM 171 CG GLN A 13 7.169 5.802 1.308 1.00 0.00 C ATOM 172 CD GLN A 13 7.320 6.803 2.436 1.00 0.00 C ATOM 173 OE1 GLN A 13 7.524 6.428 3.590 1.00 0.00 O ATOM 174 NE2 GLN A 13 7.216 8.087 2.106 1.00 0.00 N ATOM 0 H GLN A 13 7.112 4.179 -1.159 1.00 0.00 H new ATOM 0 HA GLN A 13 7.746 7.047 -1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.830 4.727 0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.143 6.427 0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.307 6.075 0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.964 4.817 1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.046 8.352 1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.306 8.807 2.823 1.00 0.00 H new ATOM 183 N GLU A 14 9.123 5.757 -3.122 1.00 0.00 N ATOM 184 CA GLU A 14 10.186 5.557 -4.101 1.00 0.00 C ATOM 185 C GLU A 14 11.542 5.548 -3.439 1.00 0.00 C ATOM 186 O GLU A 14 11.943 6.497 -2.768 1.00 0.00 O ATOM 187 CB GLU A 14 10.166 6.607 -5.197 1.00 0.00 C ATOM 188 CG GLU A 14 11.203 6.351 -6.281 1.00 0.00 C ATOM 189 CD GLU A 14 11.720 7.632 -6.903 1.00 0.00 C ATOM 190 OE1 GLU A 14 11.475 8.712 -6.326 1.00 0.00 O ATOM 191 OE2 GLU A 14 12.372 7.555 -7.966 1.00 0.00 O ATOM 0 H GLU A 14 8.191 5.816 -3.533 1.00 0.00 H new ATOM 0 HA GLU A 14 10.001 4.585 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.174 6.634 -5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.343 7.588 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.038 5.794 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.765 5.725 -7.058 1.00 0.00 H new ATOM 198 N ASN A 15 12.221 4.448 -3.629 1.00 0.00 N ATOM 199 CA ASN A 15 13.530 4.235 -3.051 1.00 0.00 C ATOM 200 C ASN A 15 14.640 4.931 -3.817 1.00 0.00 C ATOM 201 O ASN A 15 15.068 4.467 -4.874 1.00 0.00 O ATOM 202 CB ASN A 15 13.831 2.748 -2.972 1.00 0.00 C ATOM 203 CG ASN A 15 14.159 2.308 -1.566 1.00 0.00 C ATOM 204 OD1 ASN A 15 15.243 2.577 -1.050 1.00 0.00 O ATOM 205 ND2 ASN A 15 13.219 1.625 -0.940 1.00 0.00 N ATOM 0 H ASN A 15 11.883 3.667 -4.192 1.00 0.00 H new ATOM 0 HA ASN A 15 13.501 4.672 -2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.972 2.185 -3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.668 2.513 -3.629 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.376 1.296 0.013 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.335 1.426 -1.409 1.00 0.00 H new ATOM 212 N PRO A 16 15.174 6.021 -3.251 1.00 0.00 N ATOM 213 CA PRO A 16 16.290 6.731 -3.837 1.00 0.00 C ATOM 214 C PRO A 16 17.576 6.043 -3.419 1.00 0.00 C ATOM 215 O PRO A 16 18.685 6.490 -3.713 1.00 0.00 O ATOM 216 CB PRO A 16 16.174 8.124 -3.229 1.00 0.00 C ATOM 217 CG PRO A 16 15.539 7.911 -1.892 1.00 0.00 C ATOM 218 CD PRO A 16 14.783 6.600 -1.955 1.00 0.00 C ATOM 0 HA PRO A 16 16.290 6.762 -4.927 1.00 0.00 H new ATOM 0 HB2 PRO A 16 17.152 8.595 -3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 16 15.567 8.778 -3.855 1.00 0.00 H new ATOM 0 HG2 PRO A 16 16.296 7.881 -1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.864 8.733 -1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.053 5.944 -1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.706 6.758 -1.898 1.00 0.00 H new ATOM 226 N PHE A 17 17.374 4.927 -2.725 1.00 0.00 N ATOM 227 CA PHE A 17 18.442 4.084 -2.221 1.00 0.00 C ATOM 228 C PHE A 17 18.767 3.004 -3.240 1.00 0.00 C ATOM 229 O PHE A 17 19.883 2.919 -3.755 1.00 0.00 O ATOM 230 CB PHE A 17 17.988 3.426 -0.915 1.00 0.00 C ATOM 231 CG PHE A 17 19.114 2.863 -0.103 1.00 0.00 C ATOM 232 CD1 PHE A 17 19.913 1.854 -0.613 1.00 0.00 C ATOM 233 CD2 PHE A 17 19.375 3.345 1.168 1.00 0.00 C ATOM 234 CE1 PHE A 17 20.954 1.334 0.131 1.00 0.00 C ATOM 235 CE2 PHE A 17 20.414 2.829 1.919 1.00 0.00 C ATOM 236 CZ PHE A 17 21.205 1.822 1.399 1.00 0.00 C ATOM 0 H PHE A 17 16.443 4.580 -2.495 1.00 0.00 H new ATOM 0 HA PHE A 17 19.330 4.690 -2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 17 17.451 4.161 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 17 17.283 2.627 -1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 17 19.720 1.469 -1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.760 4.133 1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 17 21.571 0.547 -0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 17 20.607 3.212 2.910 1.00 0.00 H new ATOM 0 HZ PHE A 17 22.018 1.417 1.983 1.00 0.00 H new ATOM 246 N PHE A 18 17.761 2.187 -3.525 1.00 0.00 N ATOM 247 CA PHE A 18 17.886 1.103 -4.482 1.00 0.00 C ATOM 248 C PHE A 18 17.820 1.645 -5.907 1.00 0.00 C ATOM 249 O PHE A 18 18.193 0.965 -6.863 1.00 0.00 O ATOM 250 CB PHE A 18 16.764 0.091 -4.251 1.00 0.00 C ATOM 251 CG PHE A 18 16.598 -0.303 -2.812 1.00 0.00 C ATOM 252 CD1 PHE A 18 17.649 -0.867 -2.117 1.00 0.00 C ATOM 253 CD2 PHE A 18 15.391 -0.107 -2.157 1.00 0.00 C ATOM 254 CE1 PHE A 18 17.507 -1.233 -0.792 1.00 0.00 C ATOM 255 CE2 PHE A 18 15.242 -0.470 -0.831 1.00 0.00 C ATOM 256 CZ PHE A 18 16.301 -1.034 -0.148 1.00 0.00 C ATOM 0 H PHE A 18 16.838 2.260 -3.098 1.00 0.00 H new ATOM 0 HA PHE A 18 18.849 0.612 -4.344 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.826 0.511 -4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.964 -0.802 -4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.594 -1.024 -2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 18 14.560 0.333 -2.688 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.338 -1.674 -0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 18 14.298 -0.312 -0.330 1.00 0.00 H new ATOM 0 HZ PHE A 18 16.187 -1.319 0.887 1.00 0.00 H new ATOM 266 N SER A 19 17.337 2.877 -6.034 1.00 0.00 N ATOM 267 CA SER A 19 17.210 3.528 -7.324 1.00 0.00 C ATOM 268 C SER A 19 18.473 3.352 -8.151 1.00 0.00 C ATOM 269 O SER A 19 19.562 3.757 -7.747 1.00 0.00 O ATOM 270 CB SER A 19 16.908 5.017 -7.142 1.00 0.00 C ATOM 271 OG SER A 19 15.514 5.245 -7.032 1.00 0.00 O ATOM 0 H SER A 19 17.025 3.446 -5.247 1.00 0.00 H new ATOM 0 HA SER A 19 16.383 3.059 -7.857 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.412 5.387 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.306 5.578 -7.988 1.00 0.00 H new ATOM 0 HG SER A 19 15.122 4.585 -6.423 1.00 0.00 H new ATOM 277 N GLN A 20 18.308 2.752 -9.315 1.00 0.00 N ATOM 278 CA GLN A 20 19.425 2.521 -10.224 1.00 0.00 C ATOM 279 C GLN A 20 19.236 3.311 -11.511 1.00 0.00 C ATOM 280 O GLN A 20 18.159 3.850 -11.765 1.00 0.00 O ATOM 281 CB GLN A 20 19.568 1.031 -10.548 1.00 0.00 C ATOM 282 CG GLN A 20 18.320 0.211 -10.260 1.00 0.00 C ATOM 283 CD GLN A 20 18.038 -0.815 -11.341 1.00 0.00 C ATOM 284 OE1 GLN A 20 17.661 -0.466 -12.460 1.00 0.00 O ATOM 285 NE2 GLN A 20 18.219 -2.089 -11.011 1.00 0.00 N ATOM 0 H GLN A 20 17.409 2.413 -9.658 1.00 0.00 H new ATOM 0 HA GLN A 20 20.335 2.859 -9.728 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.826 0.922 -11.601 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.399 0.623 -9.972 1.00 0.00 H new ATOM 0 HG2 GLN A 20 18.436 -0.297 -9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 20 17.464 0.879 -10.165 1.00 0.00 H new ATOM 0 HE21 GLN A 20 18.533 -2.333 -10.072 1.00 0.00 H new ATOM 0 HE22 GLN A 20 18.044 -2.823 -11.697 1.00 0.00 H new ATOM 294 N PRO A 21 20.286 3.390 -12.339 1.00 0.00 N ATOM 295 CA PRO A 21 20.237 4.118 -13.611 1.00 0.00 C ATOM 296 C PRO A 21 19.065 3.680 -14.483 1.00 0.00 C ATOM 297 O PRO A 21 19.252 3.009 -15.498 1.00 0.00 O ATOM 298 CB PRO A 21 21.566 3.756 -14.279 1.00 0.00 C ATOM 299 CG PRO A 21 22.474 3.410 -13.150 1.00 0.00 C ATOM 300 CD PRO A 21 21.604 2.775 -12.101 1.00 0.00 C ATOM 0 HA PRO A 21 20.097 5.189 -13.463 1.00 0.00 H new ATOM 0 HB2 PRO A 21 21.449 2.917 -14.965 1.00 0.00 H new ATOM 0 HB3 PRO A 21 21.957 4.591 -14.861 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.257 2.725 -13.475 1.00 0.00 H new ATOM 0 HG3 PRO A 21 22.969 4.299 -12.761 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.568 1.691 -12.210 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.969 2.982 -11.095 1.00 0.00 H new ATOM 308 N GLY A 22 17.857 4.065 -14.081 1.00 0.00 N ATOM 309 CA GLY A 22 16.676 3.702 -14.839 1.00 0.00 C ATOM 310 C GLY A 22 15.643 2.963 -14.012 1.00 0.00 C ATOM 311 O GLY A 22 14.794 2.262 -14.564 1.00 0.00 O ATOM 0 H GLY A 22 17.677 4.621 -13.245 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.225 4.604 -15.251 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.971 3.079 -15.683 1.00 0.00 H new ATOM 315 N ALA A 23 15.706 3.103 -12.690 1.00 0.00 N ATOM 316 CA ALA A 23 14.755 2.419 -11.824 1.00 0.00 C ATOM 317 C ALA A 23 14.656 3.069 -10.456 1.00 0.00 C ATOM 318 O ALA A 23 15.628 3.145 -9.706 1.00 0.00 O ATOM 319 CB ALA A 23 15.137 0.954 -11.699 1.00 0.00 C ATOM 0 H ALA A 23 16.395 3.675 -12.203 1.00 0.00 H new ATOM 0 HA ALA A 23 13.769 2.497 -12.281 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.423 0.446 -11.050 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.126 0.490 -12.685 1.00 0.00 H new ATOM 0 HB3 ALA A 23 16.137 0.874 -11.272 1.00 0.00 H new ATOM 325 N PRO A 24 13.457 3.566 -10.140 1.00 0.00 N ATOM 326 CA PRO A 24 13.149 4.242 -8.896 1.00 0.00 C ATOM 327 C PRO A 24 12.417 3.354 -7.903 1.00 0.00 C ATOM 328 O PRO A 24 11.201 3.442 -7.739 1.00 0.00 O ATOM 329 CB PRO A 24 12.245 5.361 -9.399 1.00 0.00 C ATOM 330 CG PRO A 24 11.543 4.793 -10.604 1.00 0.00 C ATOM 331 CD PRO A 24 12.276 3.538 -11.001 1.00 0.00 C ATOM 0 HA PRO A 24 14.033 4.566 -8.347 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.530 5.663 -8.634 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.824 6.246 -9.662 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.501 4.572 -10.373 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.542 5.513 -11.423 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.673 2.646 -10.831 1.00 0.00 H new ATOM 0 HD3 PRO A 24 12.545 3.544 -12.057 1.00 0.00 H new ATOM 339 N ILE A 25 13.183 2.502 -7.248 1.00 0.00 N ATOM 340 CA ILE A 25 12.669 1.578 -6.263 1.00 0.00 C ATOM 341 C ILE A 25 11.668 2.212 -5.319 1.00 0.00 C ATOM 342 O ILE A 25 11.340 3.389 -5.456 1.00 0.00 O ATOM 343 CB ILE A 25 13.818 0.995 -5.466 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.731 0.255 -6.415 1.00 0.00 C ATOM 345 CG2 ILE A 25 13.266 0.057 -4.427 1.00 0.00 C ATOM 346 CD1 ILE A 25 13.959 -0.308 -7.570 1.00 0.00 C ATOM 0 H ILE A 25 14.191 2.434 -7.389 1.00 0.00 H new ATOM 0 HA ILE A 25 12.141 0.795 -6.807 1.00 0.00 H new ATOM 0 HB ILE A 25 14.381 1.782 -4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.504 0.930 -6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.238 -0.551 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.086 -0.368 -3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.597 0.603 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.714 -0.745 -4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.638 -0.836 -8.239 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.203 -1.001 -7.199 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.473 0.503 -8.113 1.00 0.00 H new ATOM 358 N LEU A 26 11.126 1.407 -4.393 1.00 0.00 N ATOM 359 CA LEU A 26 10.100 1.903 -3.482 1.00 0.00 C ATOM 360 C LEU A 26 9.926 1.101 -2.219 1.00 0.00 C ATOM 361 O LEU A 26 10.757 0.283 -1.832 1.00 0.00 O ATOM 362 CB LEU A 26 8.789 1.873 -4.219 1.00 0.00 C ATOM 363 CG LEU A 26 8.988 1.994 -5.702 1.00 0.00 C ATOM 364 CD1 LEU A 26 8.345 0.843 -6.440 1.00 0.00 C ATOM 365 CD2 LEU A 26 8.502 3.338 -6.217 1.00 0.00 C ATOM 0 H LEU A 26 11.379 0.428 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 26 10.417 2.899 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.266 0.943 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.155 2.687 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 26 10.059 1.942 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.508 0.961 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.788 -0.096 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.275 0.832 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.660 3.394 -7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.439 3.448 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.057 4.138 -5.727 1.00 0.00 H new ATOM 377 N GLN A 27 8.787 1.368 -1.604 1.00 0.00 N ATOM 378 CA GLN A 27 8.388 0.702 -0.369 1.00 0.00 C ATOM 379 C GLN A 27 7.080 1.270 0.189 1.00 0.00 C ATOM 380 O GLN A 27 6.986 1.609 1.367 1.00 0.00 O ATOM 381 CB GLN A 27 9.503 0.807 0.670 1.00 0.00 C ATOM 382 CG GLN A 27 9.128 0.247 2.034 1.00 0.00 C ATOM 383 CD GLN A 27 9.397 1.224 3.164 1.00 0.00 C ATOM 384 OE1 GLN A 27 8.972 2.378 3.118 1.00 0.00 O ATOM 385 NE2 GLN A 27 10.106 0.763 4.188 1.00 0.00 N ATOM 0 H GLN A 27 8.111 2.052 -1.944 1.00 0.00 H new ATOM 0 HA GLN A 27 8.213 -0.349 -0.601 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.382 0.279 0.300 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.784 1.854 0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.071 -0.020 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.689 -0.671 2.212 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.439 -0.201 4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.318 1.373 4.978 1.00 0.00 H new ATOM 394 N CYS A 28 6.075 1.344 -0.677 1.00 0.00 N ATOM 395 CA CYS A 28 4.741 1.838 -0.322 1.00 0.00 C ATOM 396 C CYS A 28 4.738 2.766 0.893 1.00 0.00 C ATOM 397 O CYS A 28 5.055 2.353 2.008 1.00 0.00 O ATOM 398 CB CYS A 28 3.794 0.666 -0.060 1.00 0.00 C ATOM 399 SG CYS A 28 2.060 0.996 -0.517 1.00 0.00 S ATOM 0 H CYS A 28 6.160 1.062 -1.654 1.00 0.00 H new ATOM 0 HA CYS A 28 4.400 2.423 -1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.146 -0.203 -0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.837 0.407 0.998 1.00 0.00 H new ATOM 404 N MET A 29 4.336 4.017 0.671 1.00 0.00 N ATOM 405 CA MET A 29 4.251 4.997 1.750 1.00 0.00 C ATOM 406 C MET A 29 3.189 4.575 2.760 1.00 0.00 C ATOM 407 O MET A 29 3.505 4.182 3.883 1.00 0.00 O ATOM 408 CB MET A 29 3.910 6.380 1.191 1.00 0.00 C ATOM 409 CG MET A 29 3.366 7.343 2.235 1.00 0.00 C ATOM 410 SD MET A 29 4.347 7.359 3.748 1.00 0.00 S ATOM 411 CE MET A 29 3.208 8.156 4.876 1.00 0.00 C ATOM 0 H MET A 29 4.065 4.374 -0.245 1.00 0.00 H new ATOM 0 HA MET A 29 5.220 5.047 2.247 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.805 6.812 0.742 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.175 6.269 0.394 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.337 8.349 1.815 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.339 7.069 2.476 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.735 8.924 5.443 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.397 8.615 4.310 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.798 7.415 5.562 1.00 0.00 H new ATOM 421 N GLY A 30 1.926 4.650 2.346 1.00 0.00 N ATOM 422 CA GLY A 30 0.833 4.261 3.218 1.00 0.00 C ATOM 423 C GLY A 30 0.176 5.437 3.914 1.00 0.00 C ATOM 424 O GLY A 30 0.799 6.113 4.733 1.00 0.00 O ATOM 0 H GLY A 30 1.641 4.974 1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.083 3.728 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.206 3.565 3.969 1.00 0.00 H new ATOM 428 N CYS A 31 -1.094 5.671 3.594 1.00 0.00 N ATOM 429 CA CYS A 31 -1.853 6.758 4.198 1.00 0.00 C ATOM 430 C CYS A 31 -3.253 6.831 3.599 1.00 0.00 C ATOM 431 O CYS A 31 -3.611 7.810 2.944 1.00 0.00 O ATOM 432 CB CYS A 31 -1.132 8.092 4.013 1.00 0.00 C ATOM 433 SG CYS A 31 -1.616 9.359 5.228 1.00 0.00 S ATOM 0 H CYS A 31 -1.619 5.119 2.916 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.939 6.557 5.266 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.057 7.927 4.082 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.333 8.468 3.010 1.00 0.00 H new ATOM 438 N CYS A 32 -4.041 5.786 3.833 1.00 0.00 N ATOM 439 CA CYS A 32 -5.405 5.723 3.322 1.00 0.00 C ATOM 440 C CYS A 32 -6.315 6.657 4.114 1.00 0.00 C ATOM 441 O CYS A 32 -5.893 7.252 5.105 1.00 0.00 O ATOM 442 CB CYS A 32 -5.935 4.286 3.387 1.00 0.00 C ATOM 443 SG CYS A 32 -4.637 3.010 3.507 1.00 0.00 S ATOM 0 H CYS A 32 -3.757 4.970 4.375 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.397 6.045 2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.598 4.195 4.247 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.537 4.093 2.499 1.00 0.00 H new ATOM 448 N PHE A 33 -7.563 6.789 3.673 1.00 0.00 N ATOM 449 CA PHE A 33 -8.517 7.660 4.351 1.00 0.00 C ATOM 450 C PHE A 33 -9.754 7.896 3.492 1.00 0.00 C ATOM 451 O PHE A 33 -10.064 9.033 3.136 1.00 0.00 O ATOM 452 CB PHE A 33 -7.859 9.000 4.684 1.00 0.00 C ATOM 453 CG PHE A 33 -6.994 9.531 3.577 1.00 0.00 C ATOM 454 CD1 PHE A 33 -7.265 9.213 2.255 1.00 0.00 C ATOM 455 CD2 PHE A 33 -5.910 10.347 3.857 1.00 0.00 C ATOM 456 CE1 PHE A 33 -6.472 9.698 1.235 1.00 0.00 C ATOM 457 CE2 PHE A 33 -5.112 10.836 2.839 1.00 0.00 C ATOM 458 CZ PHE A 33 -5.393 10.511 1.526 1.00 0.00 C ATOM 0 H PHE A 33 -7.935 6.307 2.855 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.827 7.167 5.272 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.635 9.731 4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.255 8.886 5.584 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.107 8.578 2.021 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.686 10.604 4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.695 9.442 0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.270 11.471 3.070 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.771 10.891 0.729 1.00 0.00 H new ATOM 468 N SER A 34 -10.458 6.820 3.164 1.00 0.00 N ATOM 469 CA SER A 34 -11.661 6.921 2.347 1.00 0.00 C ATOM 470 C SER A 34 -12.491 8.134 2.755 1.00 0.00 C ATOM 471 O SER A 34 -12.805 8.318 3.931 1.00 0.00 O ATOM 472 CB SER A 34 -12.499 5.647 2.474 1.00 0.00 C ATOM 473 OG SER A 34 -11.697 4.491 2.312 1.00 0.00 O ATOM 0 H SER A 34 -10.218 5.871 3.450 1.00 0.00 H new ATOM 0 HA SER A 34 -11.357 7.043 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.984 5.623 3.450 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.290 5.652 1.724 1.00 0.00 H new ATOM 0 HG SER A 34 -12.256 3.690 2.399 1.00 0.00 H new ATOM 479 N ARG A 35 -12.841 8.961 1.775 1.00 0.00 N ATOM 480 CA ARG A 35 -13.632 10.158 2.032 1.00 0.00 C ATOM 481 C ARG A 35 -14.986 10.074 1.336 1.00 0.00 C ATOM 482 O ARG A 35 -15.252 9.136 0.584 1.00 0.00 O ATOM 483 CB ARG A 35 -12.878 11.404 1.562 1.00 0.00 C ATOM 484 CG ARG A 35 -13.007 12.587 2.506 1.00 0.00 C ATOM 485 CD ARG A 35 -11.647 13.169 2.855 1.00 0.00 C ATOM 486 NE ARG A 35 -11.708 14.043 4.022 1.00 0.00 N ATOM 487 CZ ARG A 35 -10.809 14.986 4.282 1.00 0.00 C ATOM 488 NH1 ARG A 35 -9.787 15.175 3.458 1.00 0.00 N ATOM 489 NH2 ARG A 35 -10.933 15.744 5.363 1.00 0.00 N ATOM 0 H ARG A 35 -12.589 8.824 0.796 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.800 10.229 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.823 11.157 1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.249 11.693 0.579 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.626 13.356 2.045 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.515 12.273 3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.944 12.358 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.263 13.729 2.002 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.483 13.923 4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.691 14.596 2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.097 15.899 3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.720 15.604 5.997 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.242 16.467 5.561 1.00 0.00 H new ATOM 503 N ALA A 36 -15.841 11.060 1.590 1.00 0.00 N ATOM 504 CA ALA A 36 -17.167 11.093 0.987 1.00 0.00 C ATOM 505 C ALA A 36 -17.087 11.457 -0.491 1.00 0.00 C ATOM 506 O ALA A 36 -17.121 12.632 -0.854 1.00 0.00 O ATOM 507 CB ALA A 36 -18.062 12.075 1.726 1.00 0.00 C ATOM 0 H ALA A 36 -15.639 11.845 2.209 1.00 0.00 H new ATOM 0 HA ALA A 36 -17.600 10.096 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -19.049 12.088 1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.154 11.770 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.626 13.073 1.677 1.00 0.00 H new ATOM 513 N TYR A 37 -16.983 10.438 -1.336 1.00 0.00 N ATOM 514 CA TYR A 37 -16.899 10.642 -2.778 1.00 0.00 C ATOM 515 C TYR A 37 -16.662 9.320 -3.497 1.00 0.00 C ATOM 516 O TYR A 37 -16.001 8.424 -2.971 1.00 0.00 O ATOM 517 CB TYR A 37 -15.776 11.627 -3.117 1.00 0.00 C ATOM 518 CG TYR A 37 -14.392 11.018 -3.059 1.00 0.00 C ATOM 519 CD1 TYR A 37 -13.758 10.801 -1.842 1.00 0.00 C ATOM 520 CD2 TYR A 37 -13.719 10.662 -4.221 1.00 0.00 C ATOM 521 CE1 TYR A 37 -12.493 10.247 -1.786 1.00 0.00 C ATOM 522 CE2 TYR A 37 -12.455 10.107 -4.173 1.00 0.00 C ATOM 523 CZ TYR A 37 -11.846 9.902 -2.953 1.00 0.00 C ATOM 524 OH TYR A 37 -10.588 9.350 -2.902 1.00 0.00 O ATOM 0 H TYR A 37 -16.955 9.460 -1.047 1.00 0.00 H new ATOM 0 HA TYR A 37 -17.848 11.058 -3.115 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.945 12.027 -4.117 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -15.822 12.468 -2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.262 11.069 -0.925 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -14.192 10.822 -5.179 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.014 10.085 -0.832 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.946 9.835 -5.086 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.275 9.164 -3.812 1.00 0.00 H new ATOM 534 N PRO A 38 -17.194 9.186 -4.720 1.00 0.00 N ATOM 535 CA PRO A 38 -17.038 7.972 -5.524 1.00 0.00 C ATOM 536 C PRO A 38 -15.573 7.597 -5.707 1.00 0.00 C ATOM 537 O PRO A 38 -14.715 8.465 -5.867 1.00 0.00 O ATOM 538 CB PRO A 38 -17.674 8.337 -6.874 1.00 0.00 C ATOM 539 CG PRO A 38 -17.808 9.823 -6.859 1.00 0.00 C ATOM 540 CD PRO A 38 -17.982 10.206 -5.419 1.00 0.00 C ATOM 0 HA PRO A 38 -17.503 7.108 -5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -17.050 8.007 -7.704 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -18.645 7.856 -6.994 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.925 10.299 -7.286 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -18.663 10.144 -7.455 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.612 11.212 -5.219 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -19.029 10.186 -5.118 1.00 0.00 H new ATOM 548 N THR A 39 -15.292 6.300 -5.675 1.00 0.00 N ATOM 549 CA THR A 39 -13.927 5.813 -5.830 1.00 0.00 C ATOM 550 C THR A 39 -13.638 5.446 -7.281 1.00 0.00 C ATOM 551 O THR A 39 -14.424 4.752 -7.927 1.00 0.00 O ATOM 552 CB THR A 39 -13.690 4.603 -4.928 1.00 0.00 C ATOM 553 OG1 THR A 39 -14.441 3.489 -5.376 1.00 0.00 O ATOM 554 CG2 THR A 39 -14.059 4.854 -3.481 1.00 0.00 C ATOM 0 H THR A 39 -15.990 5.568 -5.543 1.00 0.00 H new ATOM 0 HA THR A 39 -13.248 6.614 -5.537 1.00 0.00 H new ATOM 0 HB THR A 39 -12.619 4.406 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.846 2.719 -5.493 1.00 0.00 H new ATOM 0 HG21 THR A 39 -13.866 3.955 -2.895 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.460 5.677 -3.090 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.116 5.111 -3.414 1.00 0.00 H new ATOM 562 N PRO A 40 -12.496 5.910 -7.809 1.00 0.00 N ATOM 563 CA PRO A 40 -12.090 5.632 -9.187 1.00 0.00 C ATOM 564 C PRO A 40 -12.251 4.159 -9.549 1.00 0.00 C ATOM 565 O PRO A 40 -12.681 3.823 -10.652 1.00 0.00 O ATOM 566 CB PRO A 40 -10.614 6.032 -9.203 1.00 0.00 C ATOM 567 CG PRO A 40 -10.495 7.082 -8.152 1.00 0.00 C ATOM 568 CD PRO A 40 -11.510 6.740 -7.093 1.00 0.00 C ATOM 0 HA PRO A 40 -12.699 6.170 -9.913 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.970 5.180 -8.986 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.318 6.414 -10.180 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.489 7.101 -7.734 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.686 8.071 -8.568 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -11.056 6.197 -6.264 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -11.969 7.636 -6.674 1.00 0.00 H new ATOM 576 N LEU A 41 -11.905 3.285 -8.609 1.00 0.00 N ATOM 577 CA LEU A 41 -12.013 1.846 -8.823 1.00 0.00 C ATOM 578 C LEU A 41 -12.511 1.146 -7.563 1.00 0.00 C ATOM 579 O LEU A 41 -13.055 1.784 -6.660 1.00 0.00 O ATOM 580 CB LEU A 41 -10.661 1.263 -9.240 1.00 0.00 C ATOM 581 CG LEU A 41 -9.740 2.227 -9.991 1.00 0.00 C ATOM 582 CD1 LEU A 41 -8.305 1.722 -9.968 1.00 0.00 C ATOM 583 CD2 LEU A 41 -10.220 2.415 -11.423 1.00 0.00 C ATOM 0 H LEU A 41 -11.547 3.548 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.734 1.679 -9.623 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.143 0.913 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.838 0.390 -9.869 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.770 3.194 -9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.665 2.420 -10.507 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.965 1.640 -8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.256 0.743 -10.445 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.554 3.104 -11.943 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.220 1.453 -11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.231 2.823 -11.417 1.00 0.00 H new ATOM 595 N ARG A 42 -12.322 -0.168 -7.509 1.00 0.00 N ATOM 596 CA ARG A 42 -12.753 -0.957 -6.362 1.00 0.00 C ATOM 597 C ARG A 42 -12.058 -2.315 -6.343 1.00 0.00 C ATOM 598 O ARG A 42 -11.159 -2.575 -7.144 1.00 0.00 O ATOM 599 CB ARG A 42 -14.272 -1.148 -6.383 1.00 0.00 C ATOM 600 CG ARG A 42 -14.920 -0.825 -7.722 1.00 0.00 C ATOM 601 CD ARG A 42 -16.184 0.000 -7.543 1.00 0.00 C ATOM 602 NE ARG A 42 -16.305 1.039 -8.562 1.00 0.00 N ATOM 603 CZ ARG A 42 -16.874 0.846 -9.747 1.00 0.00 C ATOM 604 NH1 ARG A 42 -17.395 -0.335 -10.053 1.00 0.00 N ATOM 605 NH2 ARG A 42 -16.925 1.836 -10.627 1.00 0.00 N ATOM 0 H ARG A 42 -11.873 -0.709 -8.248 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.477 -0.414 -5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -14.501 -2.181 -6.120 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.718 -0.517 -5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.213 -0.279 -8.347 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.159 -1.751 -8.245 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -17.054 -0.655 -7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.181 0.460 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.932 1.965 -8.352 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.360 -1.099 -9.378 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.831 -0.480 -10.964 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.527 2.746 -10.394 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.362 1.688 -11.537 1.00 0.00 H new ATOM 619 N SER A 43 -12.480 -3.179 -5.424 1.00 0.00 N ATOM 620 CA SER A 43 -11.897 -4.510 -5.302 1.00 0.00 C ATOM 621 C SER A 43 -12.970 -5.587 -5.418 1.00 0.00 C ATOM 622 O SER A 43 -14.158 -5.284 -5.540 1.00 0.00 O ATOM 623 CB SER A 43 -11.161 -4.650 -3.968 1.00 0.00 C ATOM 624 OG SER A 43 -10.379 -3.502 -3.694 1.00 0.00 O ATOM 0 H SER A 43 -13.223 -2.981 -4.754 1.00 0.00 H new ATOM 0 HA SER A 43 -11.185 -4.641 -6.117 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.883 -4.802 -3.165 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.521 -5.532 -3.993 1.00 0.00 H new ATOM 0 HG SER A 43 -9.920 -3.616 -2.835 1.00 0.00 H new ATOM 630 N LYS A 44 -12.545 -6.845 -5.382 1.00 0.00 N ATOM 631 CA LYS A 44 -13.470 -7.966 -5.486 1.00 0.00 C ATOM 632 C LYS A 44 -14.338 -8.078 -4.234 1.00 0.00 C ATOM 633 O LYS A 44 -15.429 -8.644 -4.275 1.00 0.00 O ATOM 634 CB LYS A 44 -12.701 -9.268 -5.714 1.00 0.00 C ATOM 635 CG LYS A 44 -12.564 -9.643 -7.182 1.00 0.00 C ATOM 636 CD LYS A 44 -13.761 -10.445 -7.672 1.00 0.00 C ATOM 637 CE LYS A 44 -14.141 -11.549 -6.696 1.00 0.00 C ATOM 638 NZ LYS A 44 -12.952 -12.298 -6.202 1.00 0.00 N ATOM 0 H LYS A 44 -11.566 -7.113 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.125 -7.787 -6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.707 -9.175 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.207 -10.077 -5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.463 -8.738 -7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.653 -10.224 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.611 -9.778 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.532 -10.882 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.673 -11.115 -5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.828 -12.241 -7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.189 -13.307 -6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.166 -12.183 -6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.670 -11.928 -5.272 1.00 0.00 H new ATOM 652 N LYS A 45 -13.848 -7.532 -3.125 1.00 0.00 N ATOM 653 CA LYS A 45 -14.585 -7.569 -1.866 1.00 0.00 C ATOM 654 C LYS A 45 -15.268 -6.230 -1.603 1.00 0.00 C ATOM 655 O LYS A 45 -14.731 -5.378 -0.895 1.00 0.00 O ATOM 656 CB LYS A 45 -13.646 -7.917 -0.709 1.00 0.00 C ATOM 657 CG LYS A 45 -14.349 -8.574 0.467 1.00 0.00 C ATOM 658 CD LYS A 45 -14.963 -7.540 1.397 1.00 0.00 C ATOM 659 CE LYS A 45 -15.263 -8.128 2.766 1.00 0.00 C ATOM 660 NZ LYS A 45 -16.514 -8.934 2.762 1.00 0.00 N ATOM 0 H LYS A 45 -12.946 -7.060 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.351 -8.340 -1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.865 -8.584 -1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.153 -7.007 -0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.128 -9.242 0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.638 -9.187 1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.282 -6.696 1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.882 -7.154 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.429 -8.754 3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.352 -7.323 3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.455 -9.670 3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.326 -8.315 2.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.636 -9.381 1.831 1.00 0.00 H new ATOM 674 N THR A 46 -16.451 -6.049 -2.183 1.00 0.00 N ATOM 675 CA THR A 46 -17.201 -4.809 -2.017 1.00 0.00 C ATOM 676 C THR A 46 -18.619 -5.078 -1.524 1.00 0.00 C ATOM 677 O THR A 46 -19.451 -4.172 -1.483 1.00 0.00 O ATOM 678 CB THR A 46 -17.251 -4.042 -3.339 1.00 0.00 C ATOM 679 OG1 THR A 46 -16.858 -4.873 -4.417 1.00 0.00 O ATOM 680 CG2 THR A 46 -16.361 -2.819 -3.356 1.00 0.00 C ATOM 0 H THR A 46 -16.910 -6.744 -2.771 1.00 0.00 H new ATOM 0 HA THR A 46 -16.688 -4.208 -1.267 1.00 0.00 H new ATOM 0 HB THR A 46 -18.287 -3.720 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.889 -4.807 -4.544 1.00 0.00 H new ATOM 0 HG21 THR A 46 -16.444 -2.322 -4.322 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.670 -2.133 -2.567 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.326 -3.120 -3.191 1.00 0.00 H new ATOM 688 N MET A 47 -18.890 -6.323 -1.147 1.00 0.00 N ATOM 689 CA MET A 47 -20.211 -6.694 -0.655 1.00 0.00 C ATOM 690 C MET A 47 -20.814 -5.554 0.160 1.00 0.00 C ATOM 691 O MET A 47 -20.123 -4.915 0.953 1.00 0.00 O ATOM 692 CB MET A 47 -20.120 -7.961 0.196 1.00 0.00 C ATOM 693 CG MET A 47 -19.134 -8.983 -0.347 1.00 0.00 C ATOM 694 SD MET A 47 -19.426 -10.641 0.295 1.00 0.00 S ATOM 695 CE MET A 47 -19.457 -10.314 2.055 1.00 0.00 C ATOM 0 H MET A 47 -18.216 -7.088 -1.172 1.00 0.00 H new ATOM 0 HA MET A 47 -20.858 -6.890 -1.510 1.00 0.00 H new ATOM 0 HB2 MET A 47 -19.828 -7.688 1.210 1.00 0.00 H new ATOM 0 HB3 MET A 47 -21.107 -8.418 0.261 1.00 0.00 H new ATOM 0 HG2 MET A 47 -19.199 -9.002 -1.435 1.00 0.00 H new ATOM 0 HG3 MET A 47 -18.120 -8.673 -0.094 1.00 0.00 H new ATOM 0 HE1 MET A 47 -18.793 -11.011 2.566 1.00 0.00 H new ATOM 0 HE2 MET A 47 -19.124 -9.293 2.241 1.00 0.00 H new ATOM 0 HE3 MET A 47 -20.473 -10.438 2.430 1.00 0.00 H new ATOM 705 N LEU A 48 -22.101 -5.294 -0.047 1.00 0.00 N ATOM 706 CA LEU A 48 -22.781 -4.218 0.667 1.00 0.00 C ATOM 707 C LEU A 48 -23.425 -4.724 1.953 1.00 0.00 C ATOM 708 O LEU A 48 -23.920 -5.849 2.014 1.00 0.00 O ATOM 709 CB LEU A 48 -23.841 -3.575 -0.228 1.00 0.00 C ATOM 710 CG LEU A 48 -23.368 -2.355 -1.020 1.00 0.00 C ATOM 711 CD1 LEU A 48 -22.742 -1.325 -0.092 1.00 0.00 C ATOM 712 CD2 LEU A 48 -22.380 -2.771 -2.099 1.00 0.00 C ATOM 0 H LEU A 48 -22.692 -5.810 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 48 -22.033 -3.471 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -24.206 -4.325 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -24.688 -3.280 0.392 1.00 0.00 H new ATOM 0 HG LEU A 48 -24.234 -1.901 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -22.412 -0.464 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -23.478 -1.004 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -21.887 -1.768 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -22.054 -1.891 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -21.517 -3.249 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -22.861 -3.472 -2.782 1.00 0.00 H new ATOM 724 N VAL A 49 -23.412 -3.876 2.977 1.00 0.00 N ATOM 725 CA VAL A 49 -23.991 -4.215 4.270 1.00 0.00 C ATOM 726 C VAL A 49 -23.664 -3.142 5.301 1.00 0.00 C ATOM 727 O VAL A 49 -22.950 -2.183 5.006 1.00 0.00 O ATOM 728 CB VAL A 49 -23.478 -5.577 4.781 1.00 0.00 C ATOM 729 CG1 VAL A 49 -22.131 -5.421 5.470 1.00 0.00 C ATOM 730 CG2 VAL A 49 -24.493 -6.213 5.719 1.00 0.00 C ATOM 0 H VAL A 49 -23.003 -2.943 2.934 1.00 0.00 H new ATOM 0 HA VAL A 49 -25.071 -4.277 4.132 1.00 0.00 H new ATOM 0 HB VAL A 49 -23.345 -6.236 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -21.788 -6.394 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -21.406 -5.014 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -22.232 -4.743 6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -24.113 -7.173 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -24.661 -5.556 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -25.433 -6.366 5.188 1.00 0.00 H new ATOM 740 N GLN A 50 -24.182 -3.310 6.511 1.00 0.00 N ATOM 741 CA GLN A 50 -23.934 -2.356 7.583 1.00 0.00 C ATOM 742 C GLN A 50 -22.455 -2.341 7.957 1.00 0.00 C ATOM 743 O GLN A 50 -21.802 -3.384 7.975 1.00 0.00 O ATOM 744 CB GLN A 50 -24.779 -2.706 8.808 1.00 0.00 C ATOM 745 CG GLN A 50 -26.248 -2.934 8.489 1.00 0.00 C ATOM 746 CD GLN A 50 -27.083 -1.682 8.671 1.00 0.00 C ATOM 747 OE1 GLN A 50 -27.771 -1.241 7.751 1.00 0.00 O ATOM 748 NE2 GLN A 50 -27.028 -1.104 9.865 1.00 0.00 N ATOM 0 H GLN A 50 -24.775 -4.097 6.774 1.00 0.00 H new ATOM 0 HA GLN A 50 -24.214 -1.363 7.231 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -24.373 -3.604 9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -24.695 -1.902 9.539 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -26.343 -3.284 7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -26.638 -3.723 9.132 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -26.444 -1.504 10.599 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -27.570 -0.260 10.048 1.00 0.00 H new ATOM 757 N LYS A 51 -21.929 -1.157 8.252 1.00 0.00 N ATOM 758 CA LYS A 51 -20.524 -1.021 8.621 1.00 0.00 C ATOM 759 C LYS A 51 -20.362 -0.908 10.136 1.00 0.00 C ATOM 760 O LYS A 51 -19.778 0.051 10.639 1.00 0.00 O ATOM 761 CB LYS A 51 -19.907 0.200 7.934 1.00 0.00 C ATOM 762 CG LYS A 51 -19.037 -0.151 6.736 1.00 0.00 C ATOM 763 CD LYS A 51 -19.700 -1.192 5.845 1.00 0.00 C ATOM 764 CE LYS A 51 -20.281 -0.564 4.588 1.00 0.00 C ATOM 765 NZ LYS A 51 -20.630 0.868 4.795 1.00 0.00 N ATOM 0 H LYS A 51 -22.451 -0.281 8.243 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.001 -1.917 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.706 0.867 7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.308 0.750 8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.836 0.750 6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -18.075 -0.528 7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.970 -1.953 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.491 -1.696 6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -19.561 -0.648 3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.171 -1.115 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.312 1.167 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.052 0.990 5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -19.770 1.449 4.723 1.00 0.00 H new ATOM 779 N ASN A 52 -20.885 -1.898 10.855 1.00 0.00 N ATOM 780 CA ASN A 52 -20.802 -1.916 12.314 1.00 0.00 C ATOM 781 C ASN A 52 -19.367 -1.701 12.789 1.00 0.00 C ATOM 782 O ASN A 52 -18.416 -2.156 12.153 1.00 0.00 O ATOM 783 CB ASN A 52 -21.335 -3.240 12.870 1.00 0.00 C ATOM 784 CG ASN A 52 -21.342 -4.349 11.836 1.00 0.00 C ATOM 785 OD1 ASN A 52 -20.320 -4.643 11.216 1.00 0.00 O ATOM 786 ND2 ASN A 52 -22.500 -4.971 11.645 1.00 0.00 N ATOM 0 H ASN A 52 -21.371 -2.699 10.451 1.00 0.00 H new ATOM 0 HA ASN A 52 -21.418 -1.098 12.687 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -20.724 -3.545 13.719 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -22.348 -3.091 13.244 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -22.567 -5.725 10.962 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -23.322 -4.694 12.181 1.00 0.00 H new ATOM 793 N VAL A 53 -19.221 -1.007 13.915 1.00 0.00 N ATOM 794 CA VAL A 53 -17.905 -0.733 14.484 1.00 0.00 C ATOM 795 C VAL A 53 -17.205 0.399 13.737 1.00 0.00 C ATOM 796 O VAL A 53 -17.609 0.774 12.637 1.00 0.00 O ATOM 797 CB VAL A 53 -17.012 -1.995 14.469 1.00 0.00 C ATOM 798 CG1 VAL A 53 -15.846 -1.836 13.502 1.00 0.00 C ATOM 799 CG2 VAL A 53 -16.509 -2.307 15.871 1.00 0.00 C ATOM 0 H VAL A 53 -19.999 -0.624 14.452 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.062 -0.428 15.519 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.618 -2.832 14.123 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -15.237 -2.740 13.515 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -16.229 -1.670 12.495 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.237 -0.984 13.804 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.882 -3.198 15.843 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.926 -1.465 16.244 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.358 -2.482 16.532 1.00 0.00 H new ATOM 809 N THR A 54 -16.150 0.936 14.343 1.00 0.00 N ATOM 810 CA THR A 54 -15.391 2.022 13.735 1.00 0.00 C ATOM 811 C THR A 54 -14.305 1.472 12.814 1.00 0.00 C ATOM 812 O THR A 54 -13.156 1.309 13.223 1.00 0.00 O ATOM 813 CB THR A 54 -14.767 2.903 14.820 1.00 0.00 C ATOM 814 OG1 THR A 54 -15.707 3.177 15.844 1.00 0.00 O ATOM 815 CG2 THR A 54 -14.260 4.230 14.300 1.00 0.00 C ATOM 0 H THR A 54 -15.802 0.636 15.254 1.00 0.00 H new ATOM 0 HA THR A 54 -16.074 2.627 13.138 1.00 0.00 H new ATOM 0 HB THR A 54 -13.919 2.333 15.200 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.290 3.740 16.529 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.831 4.803 15.122 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.497 4.056 13.542 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.087 4.789 13.861 1.00 0.00 H new ATOM 823 N SER A 55 -14.680 1.185 11.570 1.00 0.00 N ATOM 824 CA SER A 55 -13.739 0.650 10.591 1.00 0.00 C ATOM 825 C SER A 55 -12.637 1.659 10.286 1.00 0.00 C ATOM 826 O SER A 55 -12.846 2.617 9.541 1.00 0.00 O ATOM 827 CB SER A 55 -14.471 0.270 9.302 1.00 0.00 C ATOM 828 OG SER A 55 -15.229 1.359 8.802 1.00 0.00 O ATOM 0 H SER A 55 -15.628 1.314 11.217 1.00 0.00 H new ATOM 0 HA SER A 55 -13.281 -0.243 11.016 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.748 -0.049 8.551 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.129 -0.578 9.491 1.00 0.00 H new ATOM 0 HG SER A 55 -14.709 2.185 8.885 1.00 0.00 H new ATOM 834 N GLU A 56 -11.462 1.437 10.867 1.00 0.00 N ATOM 835 CA GLU A 56 -10.326 2.327 10.659 1.00 0.00 C ATOM 836 C GLU A 56 -9.010 1.567 10.791 1.00 0.00 C ATOM 837 O GLU A 56 -8.253 1.780 11.740 1.00 0.00 O ATOM 838 CB GLU A 56 -10.363 3.477 11.668 1.00 0.00 C ATOM 839 CG GLU A 56 -10.882 4.783 11.089 1.00 0.00 C ATOM 840 CD GLU A 56 -9.833 5.517 10.277 1.00 0.00 C ATOM 841 OE1 GLU A 56 -8.792 5.894 10.855 1.00 0.00 O ATOM 842 OE2 GLU A 56 -10.052 5.715 9.064 1.00 0.00 O ATOM 0 H GLU A 56 -11.272 0.648 11.485 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.393 2.733 9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.991 3.189 12.511 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.358 3.637 12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.747 4.578 10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.224 5.426 11.900 1.00 0.00 H new ATOM 849 N SER A 57 -8.741 0.679 9.839 1.00 0.00 N ATOM 850 CA SER A 57 -7.514 -0.109 9.860 1.00 0.00 C ATOM 851 C SER A 57 -7.313 -0.858 8.546 1.00 0.00 C ATOM 852 O SER A 57 -8.152 -1.663 8.141 1.00 0.00 O ATOM 853 CB SER A 57 -7.544 -1.099 11.024 1.00 0.00 C ATOM 854 OG SER A 57 -6.275 -1.193 11.648 1.00 0.00 O ATOM 0 H SER A 57 -9.354 0.488 9.046 1.00 0.00 H new ATOM 0 HA SER A 57 -6.677 0.577 9.991 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.289 -0.784 11.754 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.848 -2.081 10.662 1.00 0.00 H new ATOM 0 HG SER A 57 -6.322 -1.831 12.390 1.00 0.00 H new ATOM 860 N THR A 58 -6.188 -0.592 7.890 1.00 0.00 N ATOM 861 CA THR A 58 -5.861 -1.241 6.625 1.00 0.00 C ATOM 862 C THR A 58 -4.372 -1.104 6.323 1.00 0.00 C ATOM 863 O THR A 58 -3.706 -0.211 6.848 1.00 0.00 O ATOM 864 CB THR A 58 -6.688 -0.641 5.487 1.00 0.00 C ATOM 865 OG1 THR A 58 -6.845 0.757 5.665 1.00 0.00 O ATOM 866 CG2 THR A 58 -8.069 -1.252 5.369 1.00 0.00 C ATOM 0 H THR A 58 -5.485 0.071 8.215 1.00 0.00 H new ATOM 0 HA THR A 58 -6.102 -2.300 6.711 1.00 0.00 H new ATOM 0 HB THR A 58 -6.133 -0.860 4.575 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.375 1.123 4.927 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.605 -0.783 4.544 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.979 -2.322 5.182 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.619 -1.091 6.296 1.00 0.00 H new ATOM 874 N CYS A 59 -3.850 -1.993 5.485 1.00 0.00 N ATOM 875 CA CYS A 59 -2.434 -1.959 5.134 1.00 0.00 C ATOM 876 C CYS A 59 -2.223 -2.111 3.631 1.00 0.00 C ATOM 877 O CYS A 59 -2.898 -2.901 2.971 1.00 0.00 O ATOM 878 CB CYS A 59 -1.675 -3.055 5.887 1.00 0.00 C ATOM 879 SG CYS A 59 -2.227 -4.750 5.508 1.00 0.00 S ATOM 0 H CYS A 59 -4.381 -2.741 5.039 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.043 -0.985 5.428 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.614 -2.971 5.654 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.780 -2.883 6.958 1.00 0.00 H new ATOM 884 N CYS A 60 -1.273 -1.345 3.102 1.00 0.00 N ATOM 885 CA CYS A 60 -0.955 -1.381 1.679 1.00 0.00 C ATOM 886 C CYS A 60 0.110 -2.434 1.389 1.00 0.00 C ATOM 887 O CYS A 60 1.116 -2.524 2.093 1.00 0.00 O ATOM 888 CB CYS A 60 -0.466 -0.009 1.210 1.00 0.00 C ATOM 889 SG CYS A 60 -1.569 1.368 1.664 1.00 0.00 S ATOM 0 H CYS A 60 -0.708 -0.689 3.641 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.863 -1.643 1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.522 0.177 1.632 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.352 -0.027 0.126 1.00 0.00 H new ATOM 894 N VAL A 61 -0.116 -3.224 0.347 1.00 0.00 N ATOM 895 CA VAL A 61 0.825 -4.266 -0.039 1.00 0.00 C ATOM 896 C VAL A 61 1.028 -4.274 -1.550 1.00 0.00 C ATOM 897 O VAL A 61 0.685 -5.241 -2.227 1.00 0.00 O ATOM 898 CB VAL A 61 0.348 -5.657 0.419 1.00 0.00 C ATOM 899 CG1 VAL A 61 0.549 -5.823 1.918 1.00 0.00 C ATOM 900 CG2 VAL A 61 -1.111 -5.872 0.042 1.00 0.00 C ATOM 0 H VAL A 61 -0.944 -3.162 -0.246 1.00 0.00 H new ATOM 0 HA VAL A 61 1.771 -4.044 0.454 1.00 0.00 H new ATOM 0 HB VAL A 61 0.946 -6.413 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.206 -6.812 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.607 -5.715 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.022 -5.061 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.431 -6.860 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.727 -5.111 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.222 -5.799 -1.040 1.00 0.00 H new ATOM 910 N ALA A 62 1.585 -3.179 -2.063 1.00 0.00 N ATOM 911 CA ALA A 62 1.841 -3.026 -3.493 1.00 0.00 C ATOM 912 C ALA A 62 0.951 -3.930 -4.341 1.00 0.00 C ATOM 913 O ALA A 62 1.171 -5.138 -4.422 1.00 0.00 O ATOM 914 CB ALA A 62 3.302 -3.297 -3.806 1.00 0.00 C ATOM 0 H ALA A 62 1.870 -2.376 -1.502 1.00 0.00 H new ATOM 0 HA ALA A 62 1.601 -1.994 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.473 -3.178 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.928 -2.593 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.555 -4.315 -3.509 1.00 0.00 H new ATOM 920 N LYS A 63 -0.032 -3.328 -5.000 1.00 0.00 N ATOM 921 CA LYS A 63 -0.931 -4.063 -5.867 1.00 0.00 C ATOM 922 C LYS A 63 -0.118 -4.803 -6.910 1.00 0.00 C ATOM 923 O LYS A 63 -0.429 -5.933 -7.287 1.00 0.00 O ATOM 924 CB LYS A 63 -1.897 -3.102 -6.554 1.00 0.00 C ATOM 925 CG LYS A 63 -3.112 -3.789 -7.147 1.00 0.00 C ATOM 926 CD LYS A 63 -3.964 -2.822 -7.953 1.00 0.00 C ATOM 927 CE LYS A 63 -5.444 -2.997 -7.651 1.00 0.00 C ATOM 928 NZ LYS A 63 -5.767 -4.390 -7.237 1.00 0.00 N ATOM 0 H LYS A 63 -0.223 -2.328 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.506 -4.775 -5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.228 -2.354 -5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.368 -2.570 -7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.790 -4.611 -7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.712 -4.223 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.665 -1.798 -7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.788 -2.980 -9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.737 -2.306 -6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.028 -2.736 -8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.761 -4.597 -7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.151 -5.055 -7.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.614 -4.492 -6.213 1.00 0.00 H new ATOM 942 N SER A 64 0.942 -4.146 -7.355 1.00 0.00 N ATOM 943 CA SER A 64 1.839 -4.713 -8.343 1.00 0.00 C ATOM 944 C SER A 64 3.268 -4.277 -8.053 1.00 0.00 C ATOM 945 O SER A 64 3.581 -3.088 -8.080 1.00 0.00 O ATOM 946 CB SER A 64 1.426 -4.287 -9.753 1.00 0.00 C ATOM 947 OG SER A 64 0.209 -4.903 -10.135 1.00 0.00 O ATOM 0 H SER A 64 1.201 -3.210 -7.042 1.00 0.00 H new ATOM 0 HA SER A 64 1.782 -5.800 -8.286 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.317 -3.203 -9.792 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.210 -4.554 -10.461 1.00 0.00 H new ATOM 0 HG SER A 64 -0.035 -4.614 -11.039 1.00 0.00 H new ATOM 953 N TYR A 65 4.122 -5.244 -7.751 1.00 0.00 N ATOM 954 CA TYR A 65 5.516 -4.966 -7.427 1.00 0.00 C ATOM 955 C TYR A 65 6.430 -5.206 -8.614 1.00 0.00 C ATOM 956 O TYR A 65 6.110 -5.988 -9.508 1.00 0.00 O ATOM 957 CB TYR A 65 5.972 -5.876 -6.289 1.00 0.00 C ATOM 958 CG TYR A 65 5.641 -7.333 -6.518 1.00 0.00 C ATOM 959 CD1 TYR A 65 4.413 -7.857 -6.134 1.00 0.00 C ATOM 960 CD2 TYR A 65 6.557 -8.185 -7.122 1.00 0.00 C ATOM 961 CE1 TYR A 65 4.109 -9.189 -6.345 1.00 0.00 C ATOM 962 CE2 TYR A 65 6.261 -9.517 -7.337 1.00 0.00 C ATOM 963 CZ TYR A 65 5.036 -10.014 -6.946 1.00 0.00 C ATOM 964 OH TYR A 65 4.736 -11.340 -7.158 1.00 0.00 O ATOM 0 H TYR A 65 3.874 -6.233 -7.723 1.00 0.00 H new ATOM 0 HA TYR A 65 5.577 -3.916 -7.139 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.049 -5.772 -6.159 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.506 -5.546 -5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.684 -7.214 -5.663 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.518 -7.799 -7.429 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.150 -9.582 -6.041 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.985 -10.165 -7.809 1.00 0.00 H new ATOM 0 HH TYR A 65 5.495 -11.782 -7.592 1.00 0.00 H new ATOM 974 N ASN A 66 7.603 -4.583 -8.584 1.00 0.00 N ATOM 975 CA ASN A 66 8.586 -4.801 -9.634 1.00 0.00 C ATOM 976 C ASN A 66 9.872 -5.198 -8.961 1.00 0.00 C ATOM 977 O ASN A 66 10.977 -4.997 -9.467 1.00 0.00 O ATOM 978 CB ASN A 66 8.778 -3.557 -10.500 1.00 0.00 C ATOM 979 CG ASN A 66 8.319 -3.762 -11.931 1.00 0.00 C ATOM 980 OD1 ASN A 66 7.223 -4.266 -12.178 1.00 0.00 O ATOM 981 ND2 ASN A 66 9.158 -3.371 -12.885 1.00 0.00 N ATOM 0 H ASN A 66 7.892 -3.932 -7.854 1.00 0.00 H new ATOM 0 HA ASN A 66 8.245 -5.586 -10.309 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.226 -2.726 -10.062 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.831 -3.277 -10.497 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.903 -3.484 -13.866 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.057 -2.958 -12.636 1.00 0.00 H new ATOM 988 N ARG A 67 9.666 -5.747 -7.784 1.00 0.00 N ATOM 989 CA ARG A 67 10.728 -6.200 -6.907 1.00 0.00 C ATOM 990 C ARG A 67 12.084 -6.120 -7.578 1.00 0.00 C ATOM 991 O ARG A 67 12.325 -6.731 -8.619 1.00 0.00 O ATOM 992 CB ARG A 67 10.451 -7.618 -6.436 1.00 0.00 C ATOM 993 CG ARG A 67 10.608 -7.805 -4.936 1.00 0.00 C ATOM 994 CD ARG A 67 11.478 -9.008 -4.614 1.00 0.00 C ATOM 995 NE ARG A 67 11.243 -10.117 -5.535 1.00 0.00 N ATOM 996 CZ ARG A 67 12.198 -10.695 -6.261 1.00 0.00 C ATOM 997 NH1 ARG A 67 13.451 -10.264 -6.186 1.00 0.00 N ATOM 998 NH2 ARG A 67 11.899 -11.706 -7.064 1.00 0.00 N ATOM 0 H ARG A 67 8.733 -5.895 -7.399 1.00 0.00 H new ATOM 0 HA ARG A 67 10.751 -5.535 -6.043 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.437 -7.895 -6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.127 -8.301 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.049 -6.908 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.626 -7.932 -4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.528 -8.718 -4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.279 -9.336 -3.594 1.00 0.00 H new ATOM 0 HE ARG A 67 10.290 -10.470 -5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.687 -9.486 -5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.178 -10.711 -6.745 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.938 -12.041 -7.126 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.630 -12.149 -7.620 1.00 0.00 H new ATOM 1012 N VAL A 68 12.962 -5.363 -6.954 1.00 0.00 N ATOM 1013 CA VAL A 68 14.316 -5.179 -7.447 1.00 0.00 C ATOM 1014 C VAL A 68 15.310 -5.570 -6.375 1.00 0.00 C ATOM 1015 O VAL A 68 16.264 -4.841 -6.104 1.00 0.00 O ATOM 1016 CB VAL A 68 14.590 -3.718 -7.866 1.00 0.00 C ATOM 1017 CG1 VAL A 68 13.604 -3.250 -8.929 1.00 0.00 C ATOM 1018 CG2 VAL A 68 14.547 -2.800 -6.652 1.00 0.00 C ATOM 0 H VAL A 68 12.760 -4.857 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 68 14.427 -5.814 -8.326 1.00 0.00 H new ATOM 0 HB VAL A 68 15.589 -3.676 -8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.825 -2.218 -9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.691 -3.885 -9.811 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.589 -3.312 -8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.742 -1.774 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.563 -2.857 -6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.306 -3.111 -5.934 1.00 0.00 H new ATOM 1028 N THR A 69 15.070 -6.723 -5.760 1.00 0.00 N ATOM 1029 CA THR A 69 15.935 -7.216 -4.699 1.00 0.00 C ATOM 1030 C THR A 69 17.310 -6.582 -4.808 1.00 0.00 C ATOM 1031 O THR A 69 18.010 -6.747 -5.808 1.00 0.00 O ATOM 1032 CB THR A 69 16.061 -8.733 -4.746 1.00 0.00 C ATOM 1033 OG1 THR A 69 14.847 -9.352 -4.353 1.00 0.00 O ATOM 1034 CG2 THR A 69 17.161 -9.244 -3.843 1.00 0.00 C ATOM 0 H THR A 69 14.282 -7.333 -5.980 1.00 0.00 H new ATOM 0 HA THR A 69 15.483 -6.941 -3.746 1.00 0.00 H new ATOM 0 HB THR A 69 16.302 -8.986 -5.779 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.588 -9.030 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 69 17.212 -10.331 -3.911 1.00 0.00 H new ATOM 0 HG22 THR A 69 18.114 -8.816 -4.153 1.00 0.00 H new ATOM 0 HG23 THR A 69 16.951 -8.954 -2.814 1.00 0.00 H new ATOM 1042 N VAL A 70 17.675 -5.837 -3.784 1.00 0.00 N ATOM 1043 CA VAL A 70 18.953 -5.145 -3.763 1.00 0.00 C ATOM 1044 C VAL A 70 19.777 -5.517 -2.545 1.00 0.00 C ATOM 1045 O VAL A 70 19.445 -6.440 -1.800 1.00 0.00 O ATOM 1046 CB VAL A 70 18.770 -3.612 -3.778 1.00 0.00 C ATOM 1047 CG1 VAL A 70 19.729 -2.965 -4.766 1.00 0.00 C ATOM 1048 CG2 VAL A 70 17.332 -3.232 -4.106 1.00 0.00 C ATOM 0 H VAL A 70 17.104 -5.693 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 70 19.479 -5.459 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 70 18.998 -3.240 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 70 19.583 -1.885 -4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 70 20.756 -3.194 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 70 19.536 -3.352 -5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.234 -2.146 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 70 17.067 -3.623 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.664 -3.654 -3.355 1.00 0.00 H new ATOM 1058 N MET A 71 20.858 -4.779 -2.364 1.00 0.00 N ATOM 1059 CA MET A 71 21.767 -4.993 -1.252 1.00 0.00 C ATOM 1060 C MET A 71 22.029 -6.470 -1.032 1.00 0.00 C ATOM 1061 O MET A 71 22.369 -7.203 -1.961 1.00 0.00 O ATOM 1062 CB MET A 71 21.211 -4.385 0.030 1.00 0.00 C ATOM 1063 CG MET A 71 20.850 -2.928 -0.101 1.00 0.00 C ATOM 1064 SD MET A 71 22.295 -1.847 -0.099 1.00 0.00 S ATOM 1065 CE MET A 71 22.972 -2.173 -1.725 1.00 0.00 C ATOM 0 H MET A 71 21.130 -4.015 -2.983 1.00 0.00 H new ATOM 0 HA MET A 71 22.706 -4.502 -1.505 1.00 0.00 H new ATOM 0 HB2 MET A 71 20.326 -4.944 0.333 1.00 0.00 H new ATOM 0 HB3 MET A 71 21.948 -4.498 0.825 1.00 0.00 H new ATOM 0 HG2 MET A 71 20.291 -2.778 -1.025 1.00 0.00 H new ATOM 0 HG3 MET A 71 20.190 -2.647 0.720 1.00 0.00 H new ATOM 0 HE1 MET A 71 23.328 -1.241 -2.165 1.00 0.00 H new ATOM 0 HE2 MET A 71 23.802 -2.874 -1.640 1.00 0.00 H new ATOM 0 HE3 MET A 71 22.199 -2.603 -2.362 1.00 0.00 H new ATOM 1075 N GLY A 72 21.871 -6.894 0.211 1.00 0.00 N ATOM 1076 CA GLY A 72 22.093 -8.272 0.556 1.00 0.00 C ATOM 1077 C GLY A 72 20.866 -9.134 0.339 1.00 0.00 C ATOM 1078 O GLY A 72 20.644 -10.104 1.064 1.00 0.00 O ATOM 0 H GLY A 72 21.590 -6.299 0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.917 -8.663 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 72 22.397 -8.336 1.601 1.00 0.00 H new ATOM 1082 N GLY A 73 20.066 -8.779 -0.660 1.00 0.00 N ATOM 1083 CA GLY A 73 18.865 -9.537 -0.952 1.00 0.00 C ATOM 1084 C GLY A 73 17.605 -8.816 -0.518 1.00 0.00 C ATOM 1085 O GLY A 73 16.572 -9.444 -0.287 1.00 0.00 O ATOM 0 H GLY A 73 20.228 -7.980 -1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 73 18.816 -9.736 -2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 73 18.918 -10.503 -0.451 1.00 0.00 H new ATOM 1089 N PHE A 74 17.686 -7.494 -0.412 1.00 0.00 N ATOM 1090 CA PHE A 74 16.538 -6.692 -0.009 1.00 0.00 C ATOM 1091 C PHE A 74 15.403 -6.857 -1.008 1.00 0.00 C ATOM 1092 O PHE A 74 15.527 -7.603 -1.977 1.00 0.00 O ATOM 1093 CB PHE A 74 16.931 -5.219 0.108 1.00 0.00 C ATOM 1094 CG PHE A 74 17.682 -4.905 1.370 1.00 0.00 C ATOM 1095 CD1 PHE A 74 18.686 -5.747 1.820 1.00 0.00 C ATOM 1096 CD2 PHE A 74 17.382 -3.771 2.108 1.00 0.00 C ATOM 1097 CE1 PHE A 74 19.379 -5.464 2.981 1.00 0.00 C ATOM 1098 CE2 PHE A 74 18.071 -3.482 3.270 1.00 0.00 C ATOM 1099 CZ PHE A 74 19.071 -4.330 3.708 1.00 0.00 C ATOM 0 H PHE A 74 18.533 -6.957 -0.599 1.00 0.00 H new ATOM 0 HA PHE A 74 16.198 -7.039 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 74 17.544 -4.944 -0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 74 16.031 -4.605 0.066 1.00 0.00 H new ATOM 0 HD1 PHE A 74 18.930 -6.635 1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 74 16.601 -3.106 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 74 20.160 -6.128 3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 74 17.829 -2.594 3.836 1.00 0.00 H new ATOM 0 HZ PHE A 74 19.610 -4.107 4.617 1.00 0.00 H new ATOM 1109 N LYS A 75 14.293 -6.168 -0.766 1.00 0.00 N ATOM 1110 CA LYS A 75 13.142 -6.254 -1.657 1.00 0.00 C ATOM 1111 C LYS A 75 12.190 -5.076 -1.451 1.00 0.00 C ATOM 1112 O LYS A 75 11.704 -4.833 -0.347 1.00 0.00 O ATOM 1113 CB LYS A 75 12.393 -7.578 -1.453 1.00 0.00 C ATOM 1114 CG LYS A 75 12.972 -8.460 -0.356 1.00 0.00 C ATOM 1115 CD LYS A 75 13.345 -9.838 -0.880 1.00 0.00 C ATOM 1116 CE LYS A 75 13.351 -10.876 0.232 1.00 0.00 C ATOM 1117 NZ LYS A 75 13.982 -12.153 -0.204 1.00 0.00 N ATOM 0 H LYS A 75 14.166 -5.548 0.034 1.00 0.00 H new ATOM 0 HA LYS A 75 13.516 -6.216 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.351 -7.361 -1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.398 -8.134 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.854 -7.981 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.246 -8.562 0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.639 -10.137 -1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.330 -9.797 -1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.888 -10.481 1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.328 -11.068 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.966 -12.834 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.454 -12.543 -1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.966 -11.975 -0.488 1.00 0.00 H new ATOM 1131 N VAL A 76 11.929 -4.359 -2.537 1.00 0.00 N ATOM 1132 CA VAL A 76 11.030 -3.202 -2.524 1.00 0.00 C ATOM 1133 C VAL A 76 9.858 -3.474 -3.408 1.00 0.00 C ATOM 1134 O VAL A 76 9.170 -2.557 -3.860 1.00 0.00 O ATOM 1135 CB VAL A 76 11.745 -1.947 -3.068 1.00 0.00 C ATOM 1136 CG1 VAL A 76 12.683 -1.371 -2.015 1.00 0.00 C ATOM 1137 CG2 VAL A 76 12.515 -2.370 -4.315 1.00 0.00 C ATOM 0 H VAL A 76 12.332 -4.559 -3.452 1.00 0.00 H new ATOM 0 HA VAL A 76 10.715 -3.031 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 76 11.025 -1.167 -3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.179 -0.487 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.111 -1.097 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.431 -2.117 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.036 -1.508 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.240 -3.140 -4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.820 -2.765 -5.055 1.00 0.00 H new ATOM 1147 N GLU A 77 9.670 -4.745 -3.683 1.00 0.00 N ATOM 1148 CA GLU A 77 8.608 -5.172 -4.576 1.00 0.00 C ATOM 1149 C GLU A 77 8.395 -4.054 -5.571 1.00 0.00 C ATOM 1150 O GLU A 77 7.274 -3.737 -5.961 1.00 0.00 O ATOM 1151 CB GLU A 77 7.326 -5.464 -3.795 1.00 0.00 C ATOM 1152 CG GLU A 77 6.839 -6.894 -3.939 1.00 0.00 C ATOM 1153 CD GLU A 77 7.312 -7.789 -2.811 1.00 0.00 C ATOM 1154 OE1 GLU A 77 8.540 -7.885 -2.604 1.00 0.00 O ATOM 1155 OE2 GLU A 77 6.455 -8.396 -2.136 1.00 0.00 O ATOM 0 H GLU A 77 10.236 -5.503 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 77 8.879 -6.095 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.497 -5.252 -2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.542 -4.786 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.749 -6.901 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.188 -7.298 -4.889 1.00 0.00 H new ATOM 1162 N ASN A 78 9.525 -3.444 -5.921 1.00 0.00 N ATOM 1163 CA ASN A 78 9.583 -2.301 -6.810 1.00 0.00 C ATOM 1164 C ASN A 78 8.169 -1.864 -7.124 1.00 0.00 C ATOM 1165 O ASN A 78 7.724 -1.860 -8.272 1.00 0.00 O ATOM 1166 CB ASN A 78 10.349 -2.654 -8.071 1.00 0.00 C ATOM 1167 CG ASN A 78 10.787 -1.439 -8.844 1.00 0.00 C ATOM 1168 OD1 ASN A 78 11.973 -1.124 -8.920 1.00 0.00 O ATOM 1169 ND2 ASN A 78 9.825 -0.751 -9.428 1.00 0.00 N ATOM 0 H ASN A 78 10.441 -3.741 -5.584 1.00 0.00 H new ATOM 0 HA ASN A 78 10.112 -1.477 -6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.225 -3.246 -7.805 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.723 -3.279 -8.708 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.051 0.082 -9.971 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.855 -1.052 -9.336 1.00 0.00 H new ATOM 1176 N HIS A 79 7.461 -1.565 -6.053 1.00 0.00 N ATOM 1177 CA HIS A 79 6.064 -1.193 -6.111 1.00 0.00 C ATOM 1178 C HIS A 79 5.691 -0.435 -7.359 1.00 0.00 C ATOM 1179 O HIS A 79 6.158 0.669 -7.629 1.00 0.00 O ATOM 1180 CB HIS A 79 5.662 -0.418 -4.863 1.00 0.00 C ATOM 1181 CG HIS A 79 5.860 -1.240 -3.651 1.00 0.00 C ATOM 1182 ND1 HIS A 79 5.511 -0.870 -2.377 1.00 0.00 N ATOM 1183 CD2 HIS A 79 6.400 -2.464 -3.563 1.00 0.00 C ATOM 1184 CE1 HIS A 79 5.852 -1.874 -1.558 1.00 0.00 C ATOM 1185 NE2 HIS A 79 6.398 -2.873 -2.232 1.00 0.00 N ATOM 0 H HIS A 79 7.845 -1.574 -5.108 1.00 0.00 H new ATOM 0 HA HIS A 79 5.502 -2.126 -6.150 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.253 0.495 -4.790 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.617 -0.116 -4.937 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.777 -3.042 -4.394 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.701 -1.869 -0.489 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.744 -3.756 -1.856 1.00 0.00 H new ATOM 1193 N THR A 80 4.798 -1.055 -8.089 1.00 0.00 N ATOM 1194 CA THR A 80 4.262 -0.485 -9.311 1.00 0.00 C ATOM 1195 C THR A 80 2.849 0.004 -9.039 1.00 0.00 C ATOM 1196 O THR A 80 2.296 0.816 -9.780 1.00 0.00 O ATOM 1197 CB THR A 80 4.269 -1.521 -10.430 1.00 0.00 C ATOM 1198 OG1 THR A 80 3.008 -2.160 -10.535 1.00 0.00 O ATOM 1199 CG2 THR A 80 5.317 -2.591 -10.227 1.00 0.00 C ATOM 0 H THR A 80 4.418 -1.972 -7.856 1.00 0.00 H new ATOM 0 HA THR A 80 4.882 0.352 -9.632 1.00 0.00 H new ATOM 0 HB THR A 80 4.500 -0.970 -11.342 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.982 -2.699 -11.353 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.277 -3.301 -11.053 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.305 -2.131 -10.192 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.127 -3.114 -9.290 1.00 0.00 H new ATOM 1207 N ALA A 81 2.283 -0.504 -7.946 1.00 0.00 N ATOM 1208 CA ALA A 81 0.939 -0.139 -7.522 1.00 0.00 C ATOM 1209 C ALA A 81 0.718 -0.569 -6.075 1.00 0.00 C ATOM 1210 O ALA A 81 1.275 -1.573 -5.639 1.00 0.00 O ATOM 1211 CB ALA A 81 -0.094 -0.783 -8.434 1.00 0.00 C ATOM 0 H ALA A 81 2.744 -1.177 -7.334 1.00 0.00 H new ATOM 0 HA ALA A 81 0.827 0.943 -7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.095 -0.502 -8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.061 -0.442 -9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.010 -1.867 -8.393 1.00 0.00 H new ATOM 1217 N CYS A 82 -0.088 0.186 -5.333 1.00 0.00 N ATOM 1218 CA CYS A 82 -0.364 -0.146 -3.935 1.00 0.00 C ATOM 1219 C CYS A 82 -1.864 -0.214 -3.679 1.00 0.00 C ATOM 1220 O CYS A 82 -2.658 0.342 -4.439 1.00 0.00 O ATOM 1221 CB CYS A 82 0.289 0.867 -2.995 1.00 0.00 C ATOM 1222 SG CYS A 82 1.955 0.371 -2.444 1.00 0.00 S ATOM 0 H CYS A 82 -0.559 1.025 -5.671 1.00 0.00 H new ATOM 0 HA CYS A 82 0.065 -1.128 -3.735 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.353 1.831 -3.499 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.349 1.005 -2.122 1.00 0.00 H new ATOM 1227 N HIS A 83 -2.251 -0.904 -2.611 1.00 0.00 N ATOM 1228 CA HIS A 83 -3.661 -1.044 -2.271 1.00 0.00 C ATOM 1229 C HIS A 83 -3.850 -1.357 -0.787 1.00 0.00 C ATOM 1230 O HIS A 83 -3.382 -2.385 -0.297 1.00 0.00 O ATOM 1231 CB HIS A 83 -4.298 -2.148 -3.120 1.00 0.00 C ATOM 1232 CG HIS A 83 -3.637 -3.484 -2.965 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -4.342 -4.665 -2.853 1.00 0.00 N ATOM 1234 CD2 HIS A 83 -2.326 -3.825 -2.906 1.00 0.00 C ATOM 1235 CE1 HIS A 83 -3.495 -5.672 -2.730 1.00 0.00 C ATOM 1236 NE2 HIS A 83 -2.267 -5.188 -2.760 1.00 0.00 N ATOM 0 H HIS A 83 -1.611 -1.372 -1.969 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.151 -0.093 -2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.350 -2.240 -2.851 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -4.262 -1.854 -4.169 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -5.359 -4.748 -2.864 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.485 -3.150 -2.963 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.762 -6.713 -2.623 1.00 0.00 H new ATOM 1245 N CYS A 84 -4.550 -0.472 -0.078 1.00 0.00 N ATOM 1246 CA CYS A 84 -4.812 -0.669 1.346 1.00 0.00 C ATOM 1247 C CYS A 84 -5.694 -1.895 1.550 1.00 0.00 C ATOM 1248 O CYS A 84 -6.390 -2.322 0.629 1.00 0.00 O ATOM 1249 CB CYS A 84 -5.504 0.559 1.945 1.00 0.00 C ATOM 1250 SG CYS A 84 -4.625 2.133 1.674 1.00 0.00 S ATOM 0 H CYS A 84 -4.944 0.385 -0.465 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.857 -0.817 1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -6.505 0.639 1.520 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.624 0.405 3.017 1.00 0.00 H new ATOM 1255 N SER A 85 -5.668 -2.455 2.756 1.00 0.00 N ATOM 1256 CA SER A 85 -6.476 -3.631 3.065 1.00 0.00 C ATOM 1257 C SER A 85 -5.890 -4.407 4.239 1.00 0.00 C ATOM 1258 O SER A 85 -4.779 -4.127 4.690 1.00 0.00 O ATOM 1259 CB SER A 85 -6.578 -4.542 1.841 1.00 0.00 C ATOM 1260 OG SER A 85 -5.317 -4.690 1.211 1.00 0.00 O ATOM 0 H SER A 85 -5.099 -2.116 3.532 1.00 0.00 H new ATOM 0 HA SER A 85 -7.473 -3.289 3.342 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.955 -5.520 2.141 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.296 -4.127 1.133 1.00 0.00 H new ATOM 0 HG SER A 85 -5.268 -4.095 0.434 1.00 0.00 H new ATOM 1266 N THR A 86 -6.644 -5.388 4.725 1.00 0.00 N ATOM 1267 CA THR A 86 -6.199 -6.209 5.844 1.00 0.00 C ATOM 1268 C THR A 86 -4.867 -6.878 5.527 1.00 0.00 C ATOM 1269 O THR A 86 -4.381 -6.817 4.397 1.00 0.00 O ATOM 1270 CB THR A 86 -7.250 -7.270 6.180 1.00 0.00 C ATOM 1271 OG1 THR A 86 -7.326 -7.475 7.579 1.00 0.00 O ATOM 1272 CG2 THR A 86 -6.980 -8.614 5.535 1.00 0.00 C ATOM 0 H THR A 86 -7.565 -5.633 4.361 1.00 0.00 H new ATOM 0 HA THR A 86 -6.064 -5.559 6.708 1.00 0.00 H new ATOM 0 HB THR A 86 -8.187 -6.879 5.784 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.004 -8.155 7.774 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.764 -9.317 5.816 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.966 -8.501 4.451 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.015 -8.992 5.873 1.00 0.00 H new ATOM 1280 N CYS A 87 -4.283 -7.520 6.532 1.00 0.00 N ATOM 1281 CA CYS A 87 -3.009 -8.205 6.363 1.00 0.00 C ATOM 1282 C CYS A 87 -3.056 -9.596 6.989 1.00 0.00 C ATOM 1283 O CYS A 87 -4.053 -9.977 7.602 1.00 0.00 O ATOM 1284 CB CYS A 87 -1.880 -7.385 6.989 1.00 0.00 C ATOM 1285 SG CYS A 87 -2.318 -5.647 7.328 1.00 0.00 S ATOM 0 H CYS A 87 -4.672 -7.580 7.473 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.818 -8.313 5.295 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.575 -7.860 7.922 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.017 -7.407 6.323 1.00 0.00 H new ATOM 1290 N TYR A 88 -1.974 -10.351 6.828 1.00 0.00 N ATOM 1291 CA TYR A 88 -1.896 -11.702 7.376 1.00 0.00 C ATOM 1292 C TYR A 88 -3.205 -12.454 7.153 1.00 0.00 C ATOM 1293 O TYR A 88 -4.154 -12.311 7.925 1.00 0.00 O ATOM 1294 CB TYR A 88 -1.569 -11.651 8.870 1.00 0.00 C ATOM 1295 CG TYR A 88 -1.262 -10.259 9.376 1.00 0.00 C ATOM 1296 CD1 TYR A 88 -0.129 -9.579 8.947 1.00 0.00 C ATOM 1297 CD2 TYR A 88 -2.104 -9.624 10.279 1.00 0.00 C ATOM 1298 CE1 TYR A 88 0.157 -8.307 9.403 1.00 0.00 C ATOM 1299 CE2 TYR A 88 -1.827 -8.351 10.740 1.00 0.00 C ATOM 1300 CZ TYR A 88 -0.695 -7.697 10.299 1.00 0.00 C ATOM 1301 OH TYR A 88 -0.415 -6.430 10.757 1.00 0.00 O ATOM 0 H TYR A 88 -1.140 -10.051 6.323 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.099 -12.234 6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.411 -12.055 9.432 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.714 -12.297 9.068 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.540 -10.053 8.244 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.990 -10.133 10.627 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.043 -7.793 9.060 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.493 -7.871 11.442 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.115 -6.145 11.381 1.00 0.00 H new ATOM 1311 N TYR A 89 -3.250 -13.251 6.091 1.00 0.00 N ATOM 1312 CA TYR A 89 -4.445 -14.020 5.763 1.00 0.00 C ATOM 1313 C TYR A 89 -4.326 -15.460 6.256 1.00 0.00 C ATOM 1314 O TYR A 89 -4.049 -16.371 5.475 1.00 0.00 O ATOM 1315 CB TYR A 89 -4.686 -14.009 4.252 1.00 0.00 C ATOM 1316 CG TYR A 89 -4.423 -12.670 3.601 1.00 0.00 C ATOM 1317 CD1 TYR A 89 -4.639 -11.485 4.292 1.00 0.00 C ATOM 1318 CD2 TYR A 89 -3.959 -12.592 2.294 1.00 0.00 C ATOM 1319 CE1 TYR A 89 -4.401 -10.259 3.699 1.00 0.00 C ATOM 1320 CE2 TYR A 89 -3.718 -11.370 1.694 1.00 0.00 C ATOM 1321 CZ TYR A 89 -3.941 -10.208 2.401 1.00 0.00 C ATOM 1322 OH TYR A 89 -3.703 -8.990 1.807 1.00 0.00 O ATOM 0 H TYR A 89 -2.473 -13.381 5.443 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.291 -13.552 6.266 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.048 -14.760 3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.718 -14.301 4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.999 -11.522 5.310 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.784 -13.501 1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.575 -9.346 4.250 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.357 -11.326 0.677 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.382 -9.130 0.892 1.00 0.00 H new ATOM 1332 N HIS A 90 -4.544 -15.661 7.552 1.00 0.00 N ATOM 1333 CA HIS A 90 -4.466 -16.996 8.138 1.00 0.00 C ATOM 1334 C HIS A 90 -5.311 -17.982 7.337 1.00 0.00 C ATOM 1335 O HIS A 90 -6.180 -17.579 6.564 1.00 0.00 O ATOM 1336 CB HIS A 90 -4.928 -16.976 9.600 1.00 0.00 C ATOM 1337 CG HIS A 90 -5.627 -15.713 10.000 1.00 0.00 C ATOM 1338 ND1 HIS A 90 -4.958 -14.545 10.302 1.00 0.00 N ATOM 1339 CD2 HIS A 90 -6.945 -15.438 10.148 1.00 0.00 C ATOM 1340 CE1 HIS A 90 -5.834 -13.607 10.621 1.00 0.00 C ATOM 1341 NE2 HIS A 90 -7.045 -14.124 10.533 1.00 0.00 N ATOM 0 H HIS A 90 -4.775 -14.921 8.214 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.425 -17.318 8.107 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -5.597 -17.819 9.771 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.062 -17.120 10.246 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -7.764 -16.124 9.992 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.599 -12.592 10.905 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -7.916 -13.627 10.721 1.00 0.00 H new ATOM 1350 N LYS A 91 -5.049 -19.273 7.519 1.00 0.00 N ATOM 1351 CA LYS A 91 -5.789 -20.308 6.804 1.00 0.00 C ATOM 1352 C LYS A 91 -5.784 -21.625 7.573 1.00 0.00 C ATOM 1353 O LYS A 91 -4.725 -22.153 7.913 1.00 0.00 O ATOM 1354 CB LYS A 91 -5.190 -20.522 5.413 1.00 0.00 C ATOM 1355 CG LYS A 91 -3.800 -21.138 5.439 1.00 0.00 C ATOM 1356 CD LYS A 91 -3.010 -20.786 4.188 1.00 0.00 C ATOM 1357 CE LYS A 91 -1.648 -21.464 4.179 1.00 0.00 C ATOM 1358 NZ LYS A 91 -0.871 -21.133 2.952 1.00 0.00 N ATOM 0 H LYS A 91 -4.333 -19.627 8.153 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.821 -19.971 6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.853 -21.166 4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.145 -19.564 4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.262 -20.788 6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.883 -22.221 5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.573 -21.087 3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.880 -19.705 4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.084 -21.157 5.060 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.780 -22.544 4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.050 -21.614 2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.397 -21.449 2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.723 -20.105 2.902 1.00 0.00 H new ATOM 1372 N SER A 92 -6.976 -22.153 7.837 1.00 0.00 N ATOM 1373 CA SER A 92 -7.118 -23.413 8.560 1.00 0.00 C ATOM 1374 C SER A 92 -8.465 -23.484 9.270 1.00 0.00 C ATOM 1375 O SER A 92 -8.902 -22.447 9.812 1.00 0.00 O ATOM 1376 CB SER A 92 -5.985 -23.580 9.575 1.00 0.00 C ATOM 1377 OG SER A 92 -5.730 -22.367 10.261 1.00 0.00 O ATOM 1378 OXT SER A 92 -9.073 -24.575 9.277 1.00 0.00 O ATOM 0 H SER A 92 -7.860 -21.726 7.560 1.00 0.00 H new ATOM 0 HA SER A 92 -7.065 -24.224 7.834 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.247 -24.358 10.292 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.080 -23.909 9.064 1.00 0.00 H new ATOM 0 HG SER A 92 -4.960 -21.917 9.855 1.00 0.00 H new TER 1384 SER A 92