USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 476 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 10 ASN : amide:sc= -2.19 X(o=-2.2,f=-1.8!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 47 HIS : no HD1:sc= -0.0409 X(o=0.0047,f=-0.003) USER MOD Set 2.2: A 69 HIS : no HE2:sc= 0.0455 X(o=0.0047,f=-0.33) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -1.49 X(o=-5.7,f=-6.1) USER MOD Set 3.2: A 55 HIS : no HD1:sc= -4.2! X(o=-5.7!,f=-5.3) USER MOD Set 4.1: A 17 HIS :FLIP no HE2:sc= -0.585 X(o=-3.1,f=-2.8) USER MOD Set 4.2: A 21 GLN :FLIP amide:sc= -0.0586 X(o=-3.1,f=-2.8) USER MOD Set 4.3: A 31 HIS :FLIP no HE2:sc= -2.19! C(o=-4.1!,f=-2.8!) USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.141) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -110:sc= 0.88 (180deg=-1.46!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -130:sc= 0.365 (180deg=0) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -120:sc= -1.21 (180deg=-2.94!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -112:sc= -0.676 (180deg=-2.31!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.145 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 2.069 2.783 -1.190 1.00 1.00 N ATOM 12 CA ASP A 2 1.508 3.593 -2.257 1.00 1.00 C ATOM 13 C ASP A 2 -0.015 3.626 -2.119 1.00 1.00 C ATOM 14 O ASP A 2 -0.597 4.679 -1.859 1.00 1.00 O ATOM 15 CB ASP A 2 1.845 3.007 -3.630 1.00 1.00 C ATOM 16 CG ASP A 2 0.690 2.998 -4.632 1.00 1.00 C ATOM 17 OD1 ASP A 2 0.408 1.975 -5.273 1.00 1.00 O ATOM 18 OD2 ASP A 2 0.056 4.117 -4.743 1.00 1.00 O ATOM 0 HA ASP A 2 1.932 4.594 -2.178 1.00 1.00 H new ATOM 0 HB2 ASP A 2 2.672 3.575 -4.057 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.197 1.984 -3.495 1.00 1.00 H new ATOM 24 N ASP A 3 -0.620 2.461 -2.301 1.00 1.00 N ATOM 25 CA ASP A 3 -2.064 2.343 -2.200 1.00 1.00 C ATOM 26 C ASP A 3 -2.425 1.655 -0.883 1.00 1.00 C ATOM 27 O ASP A 3 -1.829 0.639 -0.525 1.00 1.00 O ATOM 28 CB ASP A 3 -2.629 1.499 -3.345 1.00 1.00 C ATOM 29 CG ASP A 3 -4.142 1.612 -3.545 1.00 1.00 C ATOM 30 OD1 ASP A 3 -4.672 2.700 -3.814 1.00 1.00 O ATOM 31 OD2 ASP A 3 -4.793 0.506 -3.413 1.00 1.00 O ATOM 0 H ASP A 3 -0.135 1.590 -2.518 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.488 3.346 -2.248 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -2.132 1.790 -4.271 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -2.378 0.454 -3.164 1.00 1.00 H new ATOM 37 N ILE A 4 -3.399 2.235 -0.196 1.00 1.00 N ATOM 38 CA ILE A 4 -3.846 1.689 1.075 1.00 1.00 C ATOM 39 C ILE A 4 -5.344 1.390 0.997 1.00 1.00 C ATOM 40 O ILE A 4 -6.160 2.305 0.905 1.00 1.00 O ATOM 41 CB ILE A 4 -3.465 2.625 2.223 1.00 1.00 C ATOM 42 CG1 ILE A 4 -1.952 2.848 2.270 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.009 2.108 3.556 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.516 3.366 3.642 1.00 1.00 C ATOM 0 H ILE A 4 -3.891 3.077 -0.495 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.342 0.745 1.283 1.00 1.00 H new ATOM 0 HB ILE A 4 -3.928 3.595 2.040 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.436 1.913 2.050 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.662 3.562 1.499 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.724 2.792 4.355 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.096 2.043 3.505 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.596 1.120 3.759 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.436 3.516 3.648 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.015 4.313 3.849 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.786 2.639 4.408 1.00 1.00 H new ATOM 51 N VAL A 5 -5.660 0.103 1.038 1.00 1.00 N ATOM 52 CA VAL A 5 -7.046 -0.329 0.973 1.00 1.00 C ATOM 53 C VAL A 5 -7.596 -0.478 2.394 1.00 1.00 C ATOM 54 O VAL A 5 -6.998 -1.158 3.226 1.00 1.00 O ATOM 55 CB VAL A 5 -7.155 -1.616 0.152 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.607 -2.089 0.066 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.556 -1.427 -1.243 1.00 1.00 C ATOM 0 H VAL A 5 -4.980 -0.654 1.115 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.656 0.418 0.464 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.581 -2.390 0.662 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.657 -3.005 -0.523 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.987 -2.281 1.069 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.213 -1.318 -0.410 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.646 -2.356 -1.806 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.091 -0.633 -1.764 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.504 -1.157 -1.154 1.00 1.00 H new ATOM 63 N LEU A 6 -8.728 0.169 2.626 1.00 1.00 N ATOM 64 CA LEU A 6 -9.365 0.117 3.931 1.00 1.00 C ATOM 65 C LEU A 6 -10.540 -0.863 3.882 1.00 1.00 C ATOM 66 O LEU A 6 -11.687 -0.455 3.715 1.00 1.00 O ATOM 67 CB LEU A 6 -9.757 1.522 4.392 1.00 1.00 C ATOM 68 CG LEU A 6 -8.628 2.553 4.432 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.174 3.971 4.249 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.804 2.417 5.715 1.00 1.00 C ATOM 0 H LEU A 6 -9.221 0.732 1.933 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.667 -0.257 4.680 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.540 1.895 3.731 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.190 1.448 5.389 1.00 1.00 H new ATOM 0 HG LEU A 6 -7.956 2.356 3.597 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.351 4.685 4.281 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.680 4.045 3.287 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.880 4.195 5.049 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -7.008 3.162 5.717 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.449 2.572 6.580 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.367 1.420 5.763 1.00 1.00 H new ATOM 78 N LYS A 7 -10.210 -2.138 4.030 1.00 1.00 N ATOM 79 CA LYS A 7 -11.223 -3.181 4.004 1.00 1.00 C ATOM 80 C LYS A 7 -12.496 -2.665 4.681 1.00 1.00 C ATOM 81 O LYS A 7 -12.467 -2.267 5.844 1.00 1.00 O ATOM 82 CB LYS A 7 -10.680 -4.471 4.620 1.00 1.00 C ATOM 83 CG LYS A 7 -9.665 -5.137 3.690 1.00 1.00 C ATOM 84 CD LYS A 7 -10.119 -6.546 3.301 1.00 1.00 C ATOM 85 CE LYS A 7 -9.584 -7.586 4.287 1.00 1.00 C ATOM 86 NZ LYS A 7 -10.384 -7.577 5.533 1.00 1.00 N ATOM 0 H LYS A 7 -9.256 -2.473 4.168 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.486 -3.432 2.976 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.210 -4.251 5.579 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -11.503 -5.158 4.818 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.537 -4.532 2.793 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -8.694 -5.187 4.182 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.208 -6.588 3.278 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -9.770 -6.780 2.295 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -9.617 -8.577 3.834 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -8.540 -7.375 4.517 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -10.121 -8.394 6.120 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -10.198 -6.699 6.059 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -11.395 -7.631 5.297 1.00 1.00 H new ATOM 99 N ALA A 8 -13.582 -2.689 3.922 1.00 1.00 N ATOM 100 CA ALA A 8 -14.862 -2.229 4.433 1.00 1.00 C ATOM 101 C ALA A 8 -15.884 -3.363 4.331 1.00 1.00 C ATOM 102 O ALA A 8 -15.607 -4.401 3.732 1.00 1.00 O ATOM 103 CB ALA A 8 -15.299 -0.980 3.665 1.00 1.00 C ATOM 0 H ALA A 8 -13.602 -3.020 2.957 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.779 -1.953 5.484 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.259 -0.635 4.048 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.554 -0.195 3.793 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.396 -1.219 2.606 1.00 1.00 H new ATOM 109 N LYS A 9 -17.044 -3.126 4.925 1.00 1.00 N ATOM 110 CA LYS A 9 -18.109 -4.115 4.908 1.00 1.00 C ATOM 111 C LYS A 9 -19.052 -3.824 3.740 1.00 1.00 C ATOM 112 O LYS A 9 -19.756 -4.715 3.268 1.00 1.00 O ATOM 113 CB LYS A 9 -18.811 -4.168 6.266 1.00 1.00 C ATOM 114 CG LYS A 9 -19.546 -5.498 6.452 1.00 1.00 C ATOM 115 CD LYS A 9 -18.984 -6.272 7.646 1.00 1.00 C ATOM 116 CE LYS A 9 -17.619 -6.879 7.314 1.00 1.00 C ATOM 117 NZ LYS A 9 -17.074 -7.603 8.484 1.00 1.00 N ATOM 0 H LYS A 9 -17.270 -2.264 5.421 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.700 -5.112 4.746 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.079 -4.038 7.063 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.519 -3.343 6.346 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -20.609 -5.312 6.602 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -19.452 -6.099 5.548 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -18.891 -5.606 8.504 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -19.678 -7.063 7.930 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -17.714 -7.561 6.469 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -16.928 -6.092 7.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -16.148 -8.008 8.241 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -16.965 -6.943 9.281 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -17.726 -8.367 8.754 1.00 1.00 H new ATOM 130 N ASN A 10 -19.035 -2.572 3.306 1.00 1.00 N ATOM 131 CA ASN A 10 -19.879 -2.152 2.200 1.00 1.00 C ATOM 132 C ASN A 10 -19.027 -1.423 1.160 1.00 1.00 C ATOM 133 O ASN A 10 -19.250 -0.245 0.884 1.00 1.00 O ATOM 134 CB ASN A 10 -20.970 -1.189 2.675 1.00 1.00 C ATOM 135 CG ASN A 10 -21.806 -0.683 1.498 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.553 0.367 0.931 1.00 1.00 O ATOM 137 ND2 ASN A 10 -22.814 -1.485 1.166 1.00 1.00 N ATOM 0 H ASN A 10 -18.450 -1.835 3.700 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.342 -3.042 1.774 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -21.616 -1.692 3.395 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -20.514 -0.344 3.192 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -23.432 -1.235 0.394 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -22.969 -2.350 1.683 1.00 1.00 H new ATOM 143 N GLY A 11 -18.068 -2.154 0.611 1.00 1.00 N ATOM 144 CA GLY A 11 -17.180 -1.591 -0.393 1.00 1.00 C ATOM 145 C GLY A 11 -15.886 -1.081 0.244 1.00 1.00 C ATOM 146 O GLY A 11 -15.923 -0.345 1.228 1.00 1.00 O ATOM 0 H GLY A 11 -17.886 -3.131 0.842 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -16.947 -2.347 -1.143 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -17.682 -0.773 -0.910 1.00 1.00 H new ATOM 150 N ASP A 12 -14.772 -1.491 -0.344 1.00 1.00 N ATOM 151 CA ASP A 12 -13.469 -1.084 0.153 1.00 1.00 C ATOM 152 C ASP A 12 -13.150 0.323 -0.357 1.00 1.00 C ATOM 153 O ASP A 12 -13.736 0.779 -1.338 1.00 1.00 O ATOM 154 CB ASP A 12 -12.371 -2.027 -0.343 1.00 1.00 C ATOM 155 CG ASP A 12 -12.629 -3.512 -0.083 1.00 1.00 C ATOM 156 OD1 ASP A 12 -13.518 -4.124 -0.695 1.00 1.00 O ATOM 157 OD2 ASP A 12 -11.861 -4.053 0.802 1.00 1.00 O ATOM 0 H ASP A 12 -14.745 -2.101 -1.161 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.501 -1.109 1.242 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -12.242 -1.878 -1.415 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -11.431 -1.748 0.133 1.00 1.00 H new ATOM 163 N VAL A 13 -12.222 0.971 0.332 1.00 1.00 N ATOM 164 CA VAL A 13 -11.819 2.317 -0.039 1.00 1.00 C ATOM 165 C VAL A 13 -10.370 2.292 -0.532 1.00 1.00 C ATOM 166 O VAL A 13 -9.474 1.851 0.185 1.00 1.00 O ATOM 167 CB VAL A 13 -12.033 3.270 1.138 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.275 4.582 0.926 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.522 3.530 1.369 1.00 1.00 C ATOM 0 H VAL A 13 -11.738 0.589 1.145 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.435 2.689 -0.857 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.633 2.792 2.032 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.444 5.242 1.777 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.209 4.375 0.833 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -11.631 5.065 0.016 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.646 4.211 2.211 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -13.956 3.977 0.475 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -14.026 2.588 1.586 1.00 1.00 H new ATOM 175 N LYS A 14 -10.187 2.771 -1.754 1.00 1.00 N ATOM 176 CA LYS A 14 -8.863 2.809 -2.352 1.00 1.00 C ATOM 177 C LYS A 14 -8.207 4.156 -2.042 1.00 1.00 C ATOM 178 O LYS A 14 -8.320 5.100 -2.822 1.00 1.00 O ATOM 179 CB LYS A 14 -8.941 2.492 -3.847 1.00 1.00 C ATOM 180 CG LYS A 14 -7.615 2.805 -4.543 1.00 1.00 C ATOM 181 CD LYS A 14 -7.760 2.717 -6.064 1.00 1.00 C ATOM 182 CE LYS A 14 -7.138 3.938 -6.745 1.00 1.00 C ATOM 183 NZ LYS A 14 -6.270 3.517 -7.868 1.00 1.00 N ATOM 0 H LYS A 14 -10.933 3.136 -2.346 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.227 2.037 -1.919 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -9.190 1.440 -3.987 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.742 3.073 -4.304 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -7.280 3.804 -4.263 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -6.849 2.106 -4.206 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -7.279 1.809 -6.427 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -8.815 2.646 -6.329 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -7.924 4.597 -7.112 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -6.556 4.509 -6.021 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -5.855 4.357 -8.320 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -5.509 2.906 -7.508 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -6.835 2.992 -8.566 1.00 1.00 H new ATOM 196 N PHE A 15 -7.535 4.201 -0.901 1.00 1.00 N ATOM 197 CA PHE A 15 -6.861 5.418 -0.478 1.00 1.00 C ATOM 198 C PHE A 15 -5.389 5.402 -0.897 1.00 1.00 C ATOM 199 O PHE A 15 -4.579 4.621 -0.405 1.00 1.00 O ATOM 200 CB PHE A 15 -6.944 5.467 1.049 1.00 1.00 C ATOM 201 CG PHE A 15 -6.557 6.820 1.650 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.931 7.971 1.031 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.838 6.871 2.803 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.572 9.226 1.588 1.00 1.00 C ATOM 205 CE2 PHE A 15 -5.479 8.127 3.361 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.853 9.277 2.741 1.00 1.00 C ATOM 0 H PHE A 15 -7.443 3.416 -0.257 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.333 6.285 -0.939 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -7.961 5.222 1.355 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.293 4.697 1.463 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.502 7.930 0.115 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.540 5.957 3.294 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.870 10.140 1.096 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -4.909 8.168 4.277 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.579 10.232 3.164 1.00 1.00 H new ATOM 216 N PRO A 16 -5.060 6.297 -1.832 1.00 1.00 N ATOM 217 CA PRO A 16 -3.728 6.459 -2.372 1.00 1.00 C ATOM 218 C PRO A 16 -2.884 7.286 -1.413 1.00 1.00 C ATOM 219 O PRO A 16 -2.967 8.512 -1.446 1.00 1.00 O ATOM 220 CB PRO A 16 -3.928 7.192 -3.697 1.00 1.00 C ATOM 221 CG PRO A 16 -5.147 8.051 -3.407 1.00 1.00 C ATOM 222 CD PRO A 16 -5.988 7.231 -2.431 1.00 1.00 C ATOM 0 HA PRO A 16 -3.210 5.510 -2.514 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -3.060 7.794 -3.964 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -4.103 6.502 -4.522 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.860 9.009 -2.972 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.702 8.269 -4.319 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.450 7.868 -1.676 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.795 6.710 -2.946 1.00 1.00 H new ATOM 230 N HIS A 17 -2.092 6.611 -0.579 1.00 1.00 N ATOM 231 CA HIS A 17 -1.228 7.267 0.396 1.00 1.00 C ATOM 232 C HIS A 17 -0.168 8.113 -0.332 1.00 1.00 C ATOM 233 O HIS A 17 -0.043 9.308 -0.069 1.00 1.00 O ATOM 234 CB HIS A 17 -0.649 6.202 1.340 1.00 1.00 C ATOM 235 CG HIS A 17 0.067 6.705 2.573 1.00 1.00 C ATOM 236 ND1 HIS A 17 -0.412 7.101 3.800 1.00 1.00 N flip ATOM 237 CD2 HIS A 17 1.395 6.841 2.630 1.00 1.00 C flip ATOM 238 CE1 HIS A 17 0.654 7.482 4.607 1.00 1.00 C flip ATOM 239 NE2 HIS A 17 1.732 7.304 3.844 1.00 1.00 N flip ATOM 0 H HIS A 17 -2.033 5.593 -0.563 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.786 7.967 1.018 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.463 5.552 1.661 1.00 1.00 H new ATOM 0 HB3 HIS A 17 0.046 5.585 0.771 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -1.394 7.113 4.075 1.00 1.00 H new ATOM 0 HD2 HIS A 17 2.085 6.615 1.830 1.00 1.00 H new ATOM 0 HE1 HIS A 17 0.617 7.842 5.625 1.00 1.00 H new ATOM 247 N LYS A 18 0.560 7.461 -1.228 1.00 1.00 N ATOM 248 CA LYS A 18 1.596 8.140 -1.988 1.00 1.00 C ATOM 249 C LYS A 18 1.095 9.528 -2.395 1.00 1.00 C ATOM 250 O LYS A 18 1.873 10.479 -2.458 1.00 1.00 O ATOM 251 CB LYS A 18 2.046 7.278 -3.168 1.00 1.00 C ATOM 252 CG LYS A 18 2.586 8.146 -4.307 1.00 1.00 C ATOM 253 CD LYS A 18 3.100 7.281 -5.460 1.00 1.00 C ATOM 254 CE LYS A 18 4.629 7.246 -5.479 1.00 1.00 C ATOM 255 NZ LYS A 18 5.168 8.478 -6.098 1.00 1.00 N ATOM 0 H LYS A 18 0.453 6.470 -1.444 1.00 1.00 H new ATOM 0 HA LYS A 18 2.485 8.288 -1.375 1.00 1.00 H new ATOM 0 HB2 LYS A 18 2.817 6.581 -2.840 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.208 6.681 -3.527 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.800 8.809 -4.668 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.392 8.779 -3.936 1.00 1.00 H new ATOM 0 HD2 LYS A 18 2.711 6.268 -5.361 1.00 1.00 H new ATOM 0 HD3 LYS A 18 2.730 7.674 -6.407 1.00 1.00 H new ATOM 0 HE2 LYS A 18 5.009 7.147 -4.462 1.00 1.00 H new ATOM 0 HE3 LYS A 18 4.972 6.373 -6.034 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 6.207 8.438 -6.103 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 4.820 8.557 -7.075 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 4.856 9.306 -5.552 1.00 1.00 H new ATOM 268 N ALA A 19 -0.201 9.600 -2.662 1.00 1.00 N ATOM 269 CA ALA A 19 -0.814 10.855 -3.063 1.00 1.00 C ATOM 270 C ALA A 19 -0.941 11.768 -1.842 1.00 1.00 C ATOM 271 O ALA A 19 -0.572 12.939 -1.888 1.00 1.00 O ATOM 272 CB ALA A 19 -2.164 10.575 -3.726 1.00 1.00 C ATOM 0 H ALA A 19 -0.843 8.810 -2.608 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.192 11.370 -3.796 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.624 11.516 -4.027 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -2.015 9.947 -4.604 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.817 10.062 -3.020 1.00 1.00 H new ATOM 278 N HIS A 20 -1.472 11.192 -0.761 1.00 1.00 N ATOM 279 CA HIS A 20 -1.672 11.903 0.496 1.00 1.00 C ATOM 280 C HIS A 20 -0.353 11.940 1.289 1.00 1.00 C ATOM 281 O HIS A 20 -0.366 12.153 2.502 1.00 1.00 O ATOM 282 CB HIS A 20 -2.845 11.260 1.249 1.00 1.00 C ATOM 283 CG HIS A 20 -4.235 11.603 0.764 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.652 11.328 -0.476 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.292 12.210 1.398 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.920 11.748 -0.609 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.365 12.300 0.518 1.00 1.00 N ATOM 0 H HIS A 20 -1.775 10.218 -0.736 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.943 12.945 0.327 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.726 10.177 1.203 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.772 11.544 2.299 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -4.098 10.874 -1.202 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -5.290 12.562 2.419 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.503 11.651 -1.513 1.00 1.00 H new ATOM 295 N GLN A 21 0.743 11.730 0.577 1.00 1.00 N ATOM 296 CA GLN A 21 2.055 11.737 1.201 1.00 1.00 C ATOM 297 C GLN A 21 2.872 12.932 0.705 1.00 1.00 C ATOM 298 O GLN A 21 4.023 13.110 1.100 1.00 1.00 O ATOM 299 CB GLN A 21 2.794 10.423 0.942 1.00 1.00 C ATOM 300 CG GLN A 21 3.842 10.160 2.026 1.00 1.00 C ATOM 301 CD GLN A 21 4.293 8.698 2.008 1.00 1.00 C ATOM 302 OE1 GLN A 21 4.382 8.174 0.789 1.00 1.00 O flip ATOM 303 NE2 GLN A 21 4.544 8.087 3.034 1.00 1.00 N flip ATOM 0 H GLN A 21 0.750 11.554 -0.428 1.00 1.00 H new ATOM 0 HA GLN A 21 1.922 11.834 2.279 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.080 9.600 0.914 1.00 1.00 H new ATOM 0 HB3 GLN A 21 3.277 10.460 -0.034 1.00 1.00 H new ATOM 0 HG2 GLN A 21 4.702 10.812 1.871 1.00 1.00 H new ATOM 0 HG3 GLN A 21 3.428 10.405 3.004 1.00 1.00 H new ATOM 0 HE21 GLN A 21 4.455 8.550 3.938 1.00 1.00 H new ATOM 0 HE22 GLN A 21 4.843 7.113 2.987 1.00 1.00 H new ATOM 311 N LYS A 22 2.244 13.722 -0.155 1.00 1.00 N ATOM 312 CA LYS A 22 2.898 14.894 -0.709 1.00 1.00 C ATOM 313 C LYS A 22 1.838 15.912 -1.132 1.00 1.00 C ATOM 314 O LYS A 22 2.093 16.764 -1.982 1.00 1.00 O ATOM 315 CB LYS A 22 3.850 14.494 -1.839 1.00 1.00 C ATOM 316 CG LYS A 22 4.859 15.608 -2.127 1.00 1.00 C ATOM 317 CD LYS A 22 5.362 15.531 -3.570 1.00 1.00 C ATOM 318 CE LYS A 22 4.555 16.457 -4.482 1.00 1.00 C ATOM 319 NZ LYS A 22 5.458 17.340 -5.254 1.00 1.00 N ATOM 0 H LYS A 22 1.289 13.572 -0.481 1.00 1.00 H new ATOM 0 HA LYS A 22 3.520 15.374 0.046 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.379 13.581 -1.567 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.278 14.275 -2.741 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.395 16.578 -1.951 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.701 15.528 -1.440 1.00 1.00 H new ATOM 0 HD2 LYS A 22 6.416 15.807 -3.607 1.00 1.00 H new ATOM 0 HD3 LYS A 22 5.288 14.505 -3.930 1.00 1.00 H new ATOM 0 HE2 LYS A 22 3.945 15.864 -5.164 1.00 1.00 H new ATOM 0 HE3 LYS A 22 3.871 17.060 -3.885 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 4.894 17.962 -5.868 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 6.021 17.919 -4.599 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 6.094 16.761 -5.839 1.00 1.00 H new ATOM 332 N ALA A 23 0.670 15.792 -0.518 1.00 1.00 N ATOM 333 CA ALA A 23 -0.430 16.692 -0.819 1.00 1.00 C ATOM 334 C ALA A 23 -0.899 17.367 0.471 1.00 1.00 C ATOM 335 O ALA A 23 -1.956 17.995 0.499 1.00 1.00 O ATOM 336 CB ALA A 23 -1.551 15.914 -1.510 1.00 1.00 C ATOM 0 H ALA A 23 0.462 15.085 0.187 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.107 17.477 -1.503 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.377 16.589 -1.736 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.175 15.478 -2.436 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -1.902 15.119 -0.852 1.00 1.00 H new ATOM 391 N LYS A 28 2.128 15.544 9.412 1.00 1.00 N ATOM 392 CA LYS A 28 1.943 15.712 10.843 1.00 1.00 C ATOM 393 C LYS A 28 0.507 16.162 11.117 1.00 1.00 C ATOM 394 O LYS A 28 0.163 16.497 12.251 1.00 1.00 O ATOM 395 CB LYS A 28 3.003 16.654 11.415 1.00 1.00 C ATOM 396 CG LYS A 28 2.772 16.901 12.907 1.00 1.00 C ATOM 397 CD LYS A 28 4.065 16.712 13.701 1.00 1.00 C ATOM 398 CE LYS A 28 3.772 16.534 15.192 1.00 1.00 C ATOM 399 NZ LYS A 28 4.539 15.394 15.740 1.00 1.00 N ATOM 0 HA LYS A 28 2.084 14.762 11.359 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.994 16.226 11.263 1.00 1.00 H new ATOM 0 HB3 LYS A 28 2.979 17.602 10.878 1.00 1.00 H new ATOM 0 HG2 LYS A 28 2.393 17.912 13.057 1.00 1.00 H new ATOM 0 HG3 LYS A 28 2.010 16.216 13.279 1.00 1.00 H new ATOM 0 HD2 LYS A 28 4.602 15.841 13.326 1.00 1.00 H new ATOM 0 HD3 LYS A 28 4.715 17.575 13.555 1.00 1.00 H new ATOM 0 HE2 LYS A 28 4.030 17.446 15.730 1.00 1.00 H new ATOM 0 HE3 LYS A 28 2.705 16.367 15.341 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 3.889 14.615 15.966 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.233 15.072 15.036 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 5.035 15.693 16.604 1.00 1.00 H new ATOM 412 N LYS A 29 -0.294 16.159 10.062 1.00 1.00 N ATOM 413 CA LYS A 29 -1.685 16.563 10.175 1.00 1.00 C ATOM 414 C LYS A 29 -2.507 15.398 10.728 1.00 1.00 C ATOM 415 O LYS A 29 -3.407 15.600 11.542 1.00 1.00 O ATOM 416 CB LYS A 29 -2.197 17.097 8.836 1.00 1.00 C ATOM 417 CG LYS A 29 -3.597 17.696 8.985 1.00 1.00 C ATOM 418 CD LYS A 29 -3.947 18.577 7.782 1.00 1.00 C ATOM 419 CE LYS A 29 -3.483 20.017 8.005 1.00 1.00 C ATOM 420 NZ LYS A 29 -4.643 20.904 8.251 1.00 1.00 N ATOM 0 H LYS A 29 -0.006 15.883 9.123 1.00 1.00 H new ATOM 0 HA LYS A 29 -1.787 17.387 10.881 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.512 17.855 8.456 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.218 16.291 8.103 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.331 16.896 9.080 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -3.649 18.286 9.900 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.479 18.175 6.884 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -5.024 18.560 7.615 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -2.800 20.058 8.854 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -2.929 20.366 7.133 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -4.310 21.878 8.400 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -5.280 20.878 7.429 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -5.155 20.580 9.096 1.00 1.00 H new ATOM 433 N CYS A 30 -2.168 14.204 10.264 1.00 1.00 N ATOM 434 CA CYS A 30 -2.865 13.007 10.702 1.00 1.00 C ATOM 435 C CYS A 30 -1.982 12.283 11.721 1.00 1.00 C ATOM 436 O CYS A 30 -2.435 11.922 12.804 1.00 1.00 O ATOM 437 CB CYS A 30 -3.235 12.103 9.524 1.00 1.00 C ATOM 438 SG CYS A 30 -3.491 13.112 8.019 1.00 1.00 S ATOM 0 H CYS A 30 -1.420 14.040 9.590 1.00 1.00 H new ATOM 0 HA CYS A 30 -3.809 13.285 11.172 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -2.444 11.373 9.352 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -4.141 11.543 9.755 1.00 1.00 H new ATOM 0 HG CYS A 30 -3.802 12.336 7.024 1.00 1.00 H new ATOM 443 N HIS A 31 -0.720 12.088 11.335 1.00 1.00 N ATOM 444 CA HIS A 31 0.269 11.417 12.171 1.00 1.00 C ATOM 445 C HIS A 31 0.802 12.395 13.233 1.00 1.00 C ATOM 446 O HIS A 31 2.015 12.522 13.402 1.00 1.00 O ATOM 447 CB HIS A 31 1.353 10.810 11.268 1.00 1.00 C ATOM 448 CG HIS A 31 0.887 9.855 10.193 1.00 1.00 C ATOM 449 ND1 HIS A 31 1.225 9.750 8.865 1.00 1.00 N flip ATOM 450 CD2 HIS A 31 -0.009 8.891 10.426 1.00 1.00 C flip ATOM 451 CE1 HIS A 31 0.516 8.701 8.293 1.00 1.00 C flip ATOM 452 NE2 HIS A 31 -0.220 8.212 9.289 1.00 1.00 N flip ATOM 0 H HIS A 31 -0.357 12.393 10.432 1.00 1.00 H new ATOM 0 HA HIS A 31 -0.173 10.590 12.727 1.00 1.00 H new ATOM 0 HB2 HIS A 31 1.891 11.627 10.787 1.00 1.00 H new ATOM 0 HB3 HIS A 31 2.069 10.286 11.901 1.00 1.00 H new ATOM 0 HD1 HIS A 31 1.891 10.348 8.376 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -0.485 8.692 11.375 1.00 1.00 H new ATOM 0 HE1 HIS A 31 0.553 8.359 7.269 1.00 1.00 H new ATOM 460 N GLU A 32 -0.123 13.054 13.915 1.00 1.00 N ATOM 461 CA GLU A 32 0.244 14.007 14.947 1.00 1.00 C ATOM 462 C GLU A 32 1.376 13.446 15.809 1.00 1.00 C ATOM 463 O GLU A 32 2.408 14.094 15.983 1.00 1.00 O ATOM 464 CB GLU A 32 -0.967 14.378 15.807 1.00 1.00 C ATOM 465 CG GLU A 32 -0.670 15.604 16.672 1.00 1.00 C ATOM 466 CD GLU A 32 -1.719 16.697 16.454 1.00 1.00 C ATOM 467 OE1 GLU A 32 -2.576 16.916 17.323 1.00 1.00 O ATOM 468 OE2 GLU A 32 -1.621 17.330 15.333 1.00 1.00 O ATOM 0 H GLU A 32 -1.127 12.946 13.772 1.00 1.00 H new ATOM 0 HA GLU A 32 0.598 14.918 14.464 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -1.825 14.580 15.166 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -1.237 13.536 16.444 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -0.653 15.316 17.723 1.00 1.00 H new ATOM 0 HG3 GLU A 32 0.320 15.992 16.431 1.00 1.00 H new ATOM 476 N LYS A 33 1.146 12.248 16.326 1.00 1.00 N ATOM 477 CA LYS A 33 2.135 11.594 17.166 1.00 1.00 C ATOM 478 C LYS A 33 3.291 11.100 16.295 1.00 1.00 C ATOM 479 O LYS A 33 4.383 11.665 16.327 1.00 1.00 O ATOM 480 CB LYS A 33 1.481 10.491 18.003 1.00 1.00 C ATOM 481 CG LYS A 33 1.004 11.036 19.350 1.00 1.00 C ATOM 482 CD LYS A 33 2.171 11.172 20.331 1.00 1.00 C ATOM 483 CE LYS A 33 1.835 10.523 21.675 1.00 1.00 C ATOM 484 NZ LYS A 33 2.768 10.991 22.724 1.00 1.00 N ATOM 0 H LYS A 33 0.290 11.713 16.180 1.00 1.00 H new ATOM 0 HA LYS A 33 2.554 12.301 17.882 1.00 1.00 H new ATOM 0 HB2 LYS A 33 0.637 10.068 17.458 1.00 1.00 H new ATOM 0 HB3 LYS A 33 2.193 9.682 18.165 1.00 1.00 H new ATOM 0 HG2 LYS A 33 0.530 12.007 19.206 1.00 1.00 H new ATOM 0 HG3 LYS A 33 0.248 10.371 19.768 1.00 1.00 H new ATOM 0 HD2 LYS A 33 3.061 10.705 19.910 1.00 1.00 H new ATOM 0 HD3 LYS A 33 2.404 12.226 20.480 1.00 1.00 H new ATOM 0 HE2 LYS A 33 0.810 10.766 21.957 1.00 1.00 H new ATOM 0 HE3 LYS A 33 1.893 9.438 21.586 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 2.526 10.541 23.630 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 3.742 10.738 22.461 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 2.693 12.024 22.820 1.00 1.00 H new ATOM 497 N GLY A 34 3.012 10.050 15.536 1.00 1.00 N ATOM 498 CA GLY A 34 4.015 9.474 14.657 1.00 1.00 C ATOM 499 C GLY A 34 3.365 8.612 13.573 1.00 1.00 C ATOM 500 O GLY A 34 2.154 8.623 13.371 1.00 1.00 O ATOM 0 H GLY A 34 2.105 9.583 15.512 1.00 1.00 H new ATOM 0 HA2 GLY A 34 4.597 10.270 14.193 1.00 1.00 H new ATOM 0 HA3 GLY A 34 4.710 8.869 15.240 1.00 1.00 H new ATOM 504 N PRO A 35 4.212 7.855 12.871 1.00 1.00 N ATOM 505 CA PRO A 35 3.815 6.964 11.802 1.00 1.00 C ATOM 506 C PRO A 35 3.414 5.616 12.383 1.00 1.00 C ATOM 507 O PRO A 35 3.578 5.415 13.585 1.00 1.00 O ATOM 508 CB PRO A 35 5.055 6.834 10.920 1.00 1.00 C ATOM 509 CG PRO A 35 6.243 7.658 11.688 1.00 1.00 C ATOM 510 CD PRO A 35 5.642 7.819 13.082 1.00 1.00 C ATOM 0 HA PRO A 35 2.959 7.334 11.237 1.00 1.00 H new ATOM 0 HB2 PRO A 35 5.330 5.788 10.785 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.873 7.246 9.928 1.00 1.00 H new ATOM 0 HG2 PRO A 35 7.182 7.104 11.706 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.449 8.618 11.216 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.924 6.991 13.732 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.994 8.733 13.560 1.00 1.00 H new ATOM 518 N GLY A 36 2.906 4.733 11.536 1.00 1.00 N ATOM 519 CA GLY A 36 2.490 3.415 11.989 1.00 1.00 C ATOM 520 C GLY A 36 0.964 3.299 12.007 1.00 1.00 C ATOM 521 O GLY A 36 0.269 4.093 11.376 1.00 1.00 O ATOM 0 H GLY A 36 2.773 4.903 10.539 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.909 2.652 11.333 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.885 3.228 12.988 1.00 1.00 H new ATOM 525 N LYS A 37 0.488 2.301 12.737 1.00 1.00 N ATOM 526 CA LYS A 37 -0.942 2.069 12.846 1.00 1.00 C ATOM 527 C LYS A 37 -1.584 3.221 13.622 1.00 1.00 C ATOM 528 O LYS A 37 -1.162 3.537 14.732 1.00 1.00 O ATOM 529 CB LYS A 37 -1.217 0.691 13.452 1.00 1.00 C ATOM 530 CG LYS A 37 -1.210 -0.393 12.373 1.00 1.00 C ATOM 531 CD LYS A 37 -2.288 -0.125 11.319 1.00 1.00 C ATOM 532 CE LYS A 37 -3.180 -1.353 11.122 1.00 1.00 C ATOM 533 NZ LYS A 37 -2.669 -2.191 10.013 1.00 1.00 N ATOM 0 H LYS A 37 1.068 1.644 13.259 1.00 1.00 H new ATOM 0 HA LYS A 37 -1.402 2.055 11.858 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -0.463 0.464 14.206 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -2.182 0.699 13.959 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -0.231 -0.430 11.896 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.378 -1.368 12.831 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -2.897 0.726 11.625 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -1.818 0.143 10.373 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -3.214 -1.937 12.042 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -4.201 -1.038 10.907 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -3.285 -3.020 9.892 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -2.660 -1.635 9.134 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -1.703 -2.507 10.233 1.00 1.00 H new ATOM 546 N ILE A 38 -2.593 3.818 13.004 1.00 1.00 N ATOM 547 CA ILE A 38 -3.297 4.928 13.623 1.00 1.00 C ATOM 548 C ILE A 38 -4.448 4.386 14.474 1.00 1.00 C ATOM 549 O ILE A 38 -5.355 3.737 13.955 1.00 1.00 O ATOM 550 CB ILE A 38 -3.738 5.940 12.564 1.00 1.00 C ATOM 551 CG1 ILE A 38 -2.531 6.646 11.943 1.00 1.00 C ATOM 552 CG2 ILE A 38 -4.750 6.933 13.141 1.00 1.00 C ATOM 553 CD1 ILE A 38 -1.999 5.866 10.740 1.00 1.00 C ATOM 0 H ILE A 38 -2.939 3.554 12.082 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.634 5.473 14.294 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.241 5.398 11.763 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.814 7.652 11.633 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -1.744 6.752 12.689 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -5.047 7.641 12.367 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.628 6.393 13.495 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -4.297 7.473 13.972 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -1.141 6.389 10.317 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -1.695 4.869 11.059 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -2.781 5.783 9.985 1.00 1.00 H new ATOM 560 N GLU A 39 -4.373 4.674 15.765 1.00 1.00 N ATOM 561 CA GLU A 39 -5.397 4.224 16.692 1.00 1.00 C ATOM 562 C GLU A 39 -6.486 5.289 16.839 1.00 1.00 C ATOM 563 O GLU A 39 -6.242 6.469 16.589 1.00 1.00 O ATOM 564 CB GLU A 39 -4.790 3.870 18.051 1.00 1.00 C ATOM 565 CG GLU A 39 -4.298 5.124 18.776 1.00 1.00 C ATOM 566 CD GLU A 39 -2.805 5.026 19.092 1.00 1.00 C ATOM 567 OE1 GLU A 39 -2.431 4.550 20.175 1.00 1.00 O ATOM 568 OE2 GLU A 39 -2.022 5.465 18.166 1.00 1.00 O ATOM 0 H GLU A 39 -3.619 5.213 16.191 1.00 1.00 H new ATOM 0 HA GLU A 39 -5.852 3.320 16.288 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -5.534 3.360 18.663 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -3.960 3.176 17.913 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -4.485 6.002 18.158 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -4.861 5.258 19.700 1.00 1.00 H new ATOM 576 N GLY A 40 -7.663 4.836 17.244 1.00 1.00 N ATOM 577 CA GLY A 40 -8.789 5.734 17.428 1.00 1.00 C ATOM 578 C GLY A 40 -9.713 5.712 16.208 1.00 1.00 C ATOM 579 O GLY A 40 -10.932 5.634 16.350 1.00 1.00 O ATOM 0 H GLY A 40 -7.861 3.857 17.450 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -9.348 5.444 18.318 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -8.426 6.748 17.596 1.00 1.00 H new ATOM 583 N PHE A 41 -9.097 5.782 15.037 1.00 1.00 N ATOM 584 CA PHE A 41 -9.849 5.770 13.794 1.00 1.00 C ATOM 585 C PHE A 41 -11.090 4.884 13.913 1.00 1.00 C ATOM 586 O PHE A 41 -11.064 3.860 14.593 1.00 1.00 O ATOM 587 CB PHE A 41 -8.927 5.192 12.719 1.00 1.00 C ATOM 588 CG PHE A 41 -9.470 5.328 11.295 1.00 1.00 C ATOM 589 CD1 PHE A 41 -10.615 4.687 10.941 1.00 1.00 C ATOM 590 CD2 PHE A 41 -8.805 6.087 10.383 1.00 1.00 C ATOM 591 CE1 PHE A 41 -11.120 4.811 9.620 1.00 1.00 C ATOM 592 CE2 PHE A 41 -9.310 6.212 9.061 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.456 5.572 8.708 1.00 1.00 C ATOM 0 H PHE A 41 -8.086 5.847 14.923 1.00 1.00 H new ATOM 0 HA PHE A 41 -10.178 6.780 13.549 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.960 5.691 12.777 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.754 4.137 12.932 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -11.141 4.083 11.665 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.894 6.594 10.664 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.030 4.302 9.339 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -8.783 6.816 8.337 1.00 1.00 H new ATOM 0 HZ PHE A 41 -10.840 5.668 7.703 1.00 1.00 H new ATOM 603 N GLY A 42 -12.149 5.312 13.240 1.00 1.00 N ATOM 604 CA GLY A 42 -13.398 4.571 13.261 1.00 1.00 C ATOM 605 C GLY A 42 -14.253 4.901 12.037 1.00 1.00 C ATOM 606 O GLY A 42 -13.939 5.824 11.287 1.00 1.00 O ATOM 0 H GLY A 42 -12.167 6.162 12.677 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -13.190 3.501 13.286 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.951 4.809 14.170 1.00 1.00 H new ATOM 610 N LYS A 43 -15.317 4.128 11.871 1.00 1.00 N ATOM 611 CA LYS A 43 -16.219 4.327 10.749 1.00 1.00 C ATOM 612 C LYS A 43 -16.866 5.709 10.860 1.00 1.00 C ATOM 613 O LYS A 43 -17.201 6.324 9.849 1.00 1.00 O ATOM 614 CB LYS A 43 -17.229 3.181 10.664 1.00 1.00 C ATOM 615 CG LYS A 43 -16.607 1.951 9.998 1.00 1.00 C ATOM 616 CD LYS A 43 -15.581 1.288 10.920 1.00 1.00 C ATOM 617 CE LYS A 43 -14.155 1.666 10.515 1.00 1.00 C ATOM 618 NZ LYS A 43 -13.184 0.697 11.070 1.00 1.00 N ATOM 0 H LYS A 43 -15.574 3.363 12.495 1.00 1.00 H new ATOM 0 HA LYS A 43 -15.668 4.306 9.809 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.575 2.921 11.664 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -18.103 3.503 10.098 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -17.389 1.236 9.745 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -16.127 2.243 9.064 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -15.763 1.592 11.951 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -15.699 0.205 10.882 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -14.074 1.689 9.428 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.923 2.669 10.874 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -12.221 0.969 10.785 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -13.251 0.695 12.108 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -13.397 -0.254 10.707 1.00 1.00 H new ATOM 631 N GLU A 44 -17.024 6.156 12.097 1.00 1.00 N ATOM 632 CA GLU A 44 -17.625 7.454 12.353 1.00 1.00 C ATOM 633 C GLU A 44 -16.591 8.565 12.159 1.00 1.00 C ATOM 634 O GLU A 44 -16.937 9.677 11.761 1.00 1.00 O ATOM 635 CB GLU A 44 -18.234 7.509 13.756 1.00 1.00 C ATOM 636 CG GLU A 44 -17.231 8.068 14.767 1.00 1.00 C ATOM 637 CD GLU A 44 -16.028 7.137 14.918 1.00 1.00 C ATOM 638 OE1 GLU A 44 -16.164 5.916 14.749 1.00 1.00 O ATOM 639 OE2 GLU A 44 -14.919 7.722 15.223 1.00 1.00 O ATOM 0 H GLU A 44 -16.746 5.642 12.933 1.00 1.00 H new ATOM 0 HA GLU A 44 -18.432 7.607 11.637 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -19.129 8.131 13.744 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -18.545 6.510 14.061 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -16.895 9.053 14.444 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -17.718 8.198 15.733 1.00 1.00 H new ATOM 647 N MET A 45 -15.344 8.226 12.450 1.00 1.00 N ATOM 648 CA MET A 45 -14.257 9.182 12.313 1.00 1.00 C ATOM 649 C MET A 45 -13.956 9.462 10.840 1.00 1.00 C ATOM 650 O MET A 45 -13.683 10.601 10.464 1.00 1.00 O ATOM 651 CB MET A 45 -13.004 8.630 12.995 1.00 1.00 C ATOM 652 CG MET A 45 -12.327 9.704 13.850 1.00 1.00 C ATOM 653 SD MET A 45 -12.856 9.552 15.549 1.00 1.00 S ATOM 654 CE MET A 45 -11.810 10.784 16.308 1.00 1.00 C ATOM 0 H MET A 45 -15.061 7.303 12.780 1.00 1.00 H new ATOM 0 HA MET A 45 -14.557 10.117 12.787 1.00 1.00 H new ATOM 0 HB2 MET A 45 -13.271 7.778 13.620 1.00 1.00 H new ATOM 0 HB3 MET A 45 -12.306 8.266 12.241 1.00 1.00 H new ATOM 0 HG2 MET A 45 -11.244 9.602 13.787 1.00 1.00 H new ATOM 0 HG3 MET A 45 -12.576 10.695 13.470 1.00 1.00 H new ATOM 0 HE1 MET A 45 -12.011 10.822 17.379 1.00 1.00 H new ATOM 0 HE2 MET A 45 -10.764 10.524 16.144 1.00 1.00 H new ATOM 0 HE3 MET A 45 -12.015 11.759 15.865 1.00 1.00 H new ATOM 664 N ALA A 46 -14.018 8.404 10.045 1.00 1.00 N ATOM 665 CA ALA A 46 -13.754 8.522 8.620 1.00 1.00 C ATOM 666 C ALA A 46 -14.551 9.700 8.056 1.00 1.00 C ATOM 667 O ALA A 46 -13.978 10.680 7.585 1.00 1.00 O ATOM 668 CB ALA A 46 -14.096 7.202 7.927 1.00 1.00 C ATOM 0 H ALA A 46 -14.247 7.461 10.360 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.698 8.721 8.439 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.898 7.290 6.859 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.484 6.403 8.345 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -15.150 6.971 8.083 1.00 1.00 H new ATOM 674 N HIS A 47 -15.876 9.567 8.119 1.00 1.00 N ATOM 675 CA HIS A 47 -16.799 10.586 7.631 1.00 1.00 C ATOM 676 C HIS A 47 -16.666 11.861 8.485 1.00 1.00 C ATOM 677 O HIS A 47 -17.216 12.902 8.130 1.00 1.00 O ATOM 678 CB HIS A 47 -18.216 9.996 7.592 1.00 1.00 C ATOM 679 CG HIS A 47 -18.361 8.616 6.994 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.985 7.618 7.629 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.941 8.099 5.791 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.954 6.523 6.852 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.320 6.765 5.705 1.00 1.00 N ATOM 0 H HIS A 47 -16.338 8.747 8.511 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.558 10.887 6.611 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.601 9.967 8.612 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.853 10.679 7.030 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.401 8.645 5.032 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.386 5.571 7.121 1.00 1.00 H new ATOM 0 HE2 HIS A 47 -18.151 6.116 4.936 1.00 1.00 H new ATOM 691 N GLY A 48 -15.937 11.733 9.584 1.00 1.00 N ATOM 692 CA GLY A 48 -15.731 12.859 10.479 1.00 1.00 C ATOM 693 C GLY A 48 -14.698 13.831 9.908 1.00 1.00 C ATOM 694 O GLY A 48 -14.856 14.327 8.792 1.00 1.00 O ATOM 0 H GLY A 48 -15.482 10.868 9.875 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.676 13.379 10.638 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -15.397 12.498 11.452 1.00 1.00 H new ATOM 698 N LYS A 49 -13.663 14.077 10.698 1.00 1.00 N ATOM 699 CA LYS A 49 -12.604 14.982 10.284 1.00 1.00 C ATOM 700 C LYS A 49 -11.297 14.199 10.142 1.00 1.00 C ATOM 701 O LYS A 49 -10.241 14.664 10.568 1.00 1.00 O ATOM 702 CB LYS A 49 -12.508 16.170 11.244 1.00 1.00 C ATOM 703 CG LYS A 49 -11.972 15.730 12.608 1.00 1.00 C ATOM 704 CD LYS A 49 -13.060 15.029 13.424 1.00 1.00 C ATOM 705 CE LYS A 49 -13.122 15.586 14.848 1.00 1.00 C ATOM 706 NZ LYS A 49 -14.368 16.357 15.049 1.00 1.00 N ATOM 0 H LYS A 49 -13.535 13.665 11.622 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.828 15.409 9.307 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -11.854 16.932 10.821 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -13.491 16.625 11.365 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -11.125 15.057 12.470 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -11.604 16.598 13.155 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -14.026 15.159 12.936 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -12.861 13.958 13.457 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -13.073 14.768 15.567 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -12.258 16.225 15.033 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -14.394 16.728 16.020 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -14.399 17.149 14.375 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -15.189 15.737 14.893 1.00 1.00 H new ATOM 719 N GLY A 50 -11.410 13.024 9.542 1.00 1.00 N ATOM 720 CA GLY A 50 -10.251 12.172 9.337 1.00 1.00 C ATOM 721 C GLY A 50 -10.379 11.371 8.040 1.00 1.00 C ATOM 722 O GLY A 50 -9.919 10.234 7.960 1.00 1.00 O ATOM 0 H GLY A 50 -12.288 12.641 9.191 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -9.348 12.782 9.304 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -10.143 11.490 10.180 1.00 1.00 H new ATOM 726 N CYS A 51 -11.007 11.998 7.055 1.00 1.00 N ATOM 727 CA CYS A 51 -11.201 11.358 5.766 1.00 1.00 C ATOM 728 C CYS A 51 -11.987 12.317 4.868 1.00 1.00 C ATOM 729 O CYS A 51 -11.462 12.810 3.870 1.00 1.00 O ATOM 730 CB CYS A 51 -11.901 10.005 5.904 1.00 1.00 C ATOM 731 SG CYS A 51 -11.329 8.721 4.733 1.00 1.00 S ATOM 0 H CYS A 51 -11.387 12.942 7.125 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.232 11.147 5.313 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.757 9.639 6.921 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.972 10.151 5.766 1.00 1.00 H new ATOM 0 HG CYS A 51 -11.987 7.619 4.942 1.00 1.00 H new ATOM 736 N LYS A 52 -13.232 12.553 5.255 1.00 1.00 N ATOM 737 CA LYS A 52 -14.095 13.444 4.497 1.00 1.00 C ATOM 738 C LYS A 52 -13.954 14.868 5.041 1.00 1.00 C ATOM 739 O LYS A 52 -13.570 15.779 4.311 1.00 1.00 O ATOM 740 CB LYS A 52 -15.534 12.925 4.498 1.00 1.00 C ATOM 741 CG LYS A 52 -16.449 13.841 3.684 1.00 1.00 C ATOM 742 CD LYS A 52 -17.143 14.865 4.585 1.00 1.00 C ATOM 743 CE LYS A 52 -18.644 14.585 4.678 1.00 1.00 C ATOM 744 NZ LYS A 52 -18.967 13.915 5.957 1.00 1.00 N ATOM 0 H LYS A 52 -13.664 12.143 6.083 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.791 13.470 3.451 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.561 11.917 4.084 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.899 12.858 5.523 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -15.867 14.358 2.921 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -17.197 13.244 3.163 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -16.702 14.836 5.581 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -16.980 15.869 4.193 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -19.200 15.519 4.599 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -18.955 13.957 3.843 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -19.547 13.072 5.771 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -18.087 13.632 6.433 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -19.495 14.570 6.568 1.00 1.00 H new ATOM 757 N GLY A 53 -14.273 15.012 6.318 1.00 1.00 N ATOM 758 CA GLY A 53 -14.187 16.309 6.969 1.00 1.00 C ATOM 759 C GLY A 53 -13.077 17.161 6.349 1.00 1.00 C ATOM 760 O GLY A 53 -13.327 18.274 5.889 1.00 1.00 O ATOM 0 H GLY A 53 -14.591 14.253 6.920 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -15.141 16.828 6.881 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.995 16.174 8.033 1.00 1.00 H new ATOM 764 N CYS A 54 -11.874 16.605 6.357 1.00 1.00 N ATOM 765 CA CYS A 54 -10.725 17.299 5.801 1.00 1.00 C ATOM 766 C CYS A 54 -11.163 17.997 4.512 1.00 1.00 C ATOM 767 O CYS A 54 -11.159 19.223 4.428 1.00 1.00 O ATOM 768 CB CYS A 54 -9.550 16.347 5.564 1.00 1.00 C ATOM 769 SG CYS A 54 -8.038 17.012 6.353 1.00 1.00 S ATOM 0 H CYS A 54 -11.670 15.682 6.740 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.367 18.043 6.512 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.780 15.363 5.972 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.386 16.218 4.494 1.00 1.00 H new ATOM 0 HG CYS A 54 -7.047 16.196 6.148 1.00 1.00 H new ATOM 774 N HIS A 55 -11.535 17.180 3.527 1.00 1.00 N ATOM 775 CA HIS A 55 -11.984 17.662 2.226 1.00 1.00 C ATOM 776 C HIS A 55 -13.017 18.789 2.415 1.00 1.00 C ATOM 777 O HIS A 55 -12.955 19.806 1.727 1.00 1.00 O ATOM 778 CB HIS A 55 -12.495 16.470 1.402 1.00 1.00 C ATOM 779 CG HIS A 55 -11.591 15.260 1.327 1.00 1.00 C ATOM 780 ND1 HIS A 55 -12.038 14.016 1.520 1.00 1.00 N ATOM 781 CD2 HIS A 55 -10.245 15.148 1.073 1.00 1.00 C ATOM 782 CE1 HIS A 55 -11.011 13.161 1.391 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.880 13.807 1.115 1.00 1.00 N ATOM 0 H HIS A 55 -11.533 16.163 3.611 1.00 1.00 H new ATOM 0 HA HIS A 55 -11.163 18.104 1.661 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.452 16.155 1.817 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.686 16.815 0.386 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.576 15.972 0.872 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -11.092 12.089 1.497 1.00 1.00 H new ATOM 0 HE2 HIS A 55 -8.953 13.408 0.967 1.00 1.00 H new ATOM 791 N GLU A 56 -13.933 18.567 3.347 1.00 1.00 N ATOM 792 CA GLU A 56 -14.966 19.548 3.629 1.00 1.00 C ATOM 793 C GLU A 56 -14.341 20.836 4.169 1.00 1.00 C ATOM 794 O GLU A 56 -14.939 21.907 4.077 1.00 1.00 O ATOM 795 CB GLU A 56 -16.002 18.989 4.606 1.00 1.00 C ATOM 796 CG GLU A 56 -16.995 20.072 5.032 1.00 1.00 C ATOM 797 CD GLU A 56 -17.881 19.582 6.178 1.00 1.00 C ATOM 798 OE1 GLU A 56 -17.366 19.123 7.208 1.00 1.00 O ATOM 799 OE2 GLU A 56 -19.150 19.695 5.973 1.00 1.00 O ATOM 0 H GLU A 56 -13.981 17.722 3.916 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.483 19.781 2.698 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.538 18.162 4.140 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.498 18.587 5.485 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.453 20.965 5.343 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -17.616 20.355 4.182 1.00 1.00 H new ATOM 807 N GLU A 57 -13.145 20.690 4.722 1.00 1.00 N ATOM 808 CA GLU A 57 -12.433 21.827 5.278 1.00 1.00 C ATOM 809 C GLU A 57 -11.398 22.346 4.277 1.00 1.00 C ATOM 810 O GLU A 57 -11.430 23.514 3.895 1.00 1.00 O ATOM 811 CB GLU A 57 -11.774 21.465 6.610 1.00 1.00 C ATOM 812 CG GLU A 57 -12.803 21.442 7.743 1.00 1.00 C ATOM 813 CD GLU A 57 -12.337 22.295 8.924 1.00 1.00 C ATOM 814 OE1 GLU A 57 -11.979 21.750 9.979 1.00 1.00 O ATOM 815 OE2 GLU A 57 -12.351 23.568 8.717 1.00 1.00 O ATOM 0 H GLU A 57 -12.652 19.800 4.796 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.153 22.622 5.472 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -11.295 20.489 6.529 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.990 22.187 6.840 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -13.760 21.813 7.377 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -12.964 20.415 8.072 1.00 1.00 H new ATOM 823 N MET A 58 -10.504 21.451 3.882 1.00 1.00 N ATOM 824 CA MET A 58 -9.462 21.803 2.934 1.00 1.00 C ATOM 825 C MET A 58 -10.062 22.319 1.625 1.00 1.00 C ATOM 826 O MET A 58 -9.370 22.944 0.823 1.00 1.00 O ATOM 827 CB MET A 58 -8.595 20.575 2.648 1.00 1.00 C ATOM 828 CG MET A 58 -7.126 20.968 2.480 1.00 1.00 C ATOM 829 SD MET A 58 -6.419 21.383 4.067 1.00 1.00 S ATOM 830 CE MET A 58 -6.451 23.165 3.964 1.00 1.00 C ATOM 0 H MET A 58 -10.480 20.483 4.202 1.00 1.00 H new ATOM 0 HA MET A 58 -8.854 22.595 3.370 1.00 1.00 H new ATOM 0 HB2 MET A 58 -8.692 19.859 3.464 1.00 1.00 H new ATOM 0 HB3 MET A 58 -8.948 20.079 1.744 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.570 20.146 2.029 1.00 1.00 H new ATOM 0 HG3 MET A 58 -7.044 21.818 1.803 1.00 1.00 H new ATOM 0 HE1 MET A 58 -5.436 23.553 4.051 1.00 1.00 H new ATOM 0 HE2 MET A 58 -6.874 23.467 3.006 1.00 1.00 H new ATOM 0 HE3 MET A 58 -7.063 23.565 4.773 1.00 1.00 H new ATOM 840 N LYS A 59 -11.346 22.040 1.449 1.00 1.00 N ATOM 841 CA LYS A 59 -12.048 22.468 0.251 1.00 1.00 C ATOM 842 C LYS A 59 -11.474 21.734 -0.962 1.00 1.00 C ATOM 843 O LYS A 59 -11.768 22.087 -2.102 1.00 1.00 O ATOM 844 CB LYS A 59 -12.008 23.992 0.122 1.00 1.00 C ATOM 845 CG LYS A 59 -13.205 24.634 0.826 1.00 1.00 C ATOM 846 CD LYS A 59 -14.019 25.491 -0.146 1.00 1.00 C ATOM 847 CE LYS A 59 -15.406 25.796 0.420 1.00 1.00 C ATOM 848 NZ LYS A 59 -16.457 25.418 -0.552 1.00 1.00 N ATOM 0 H LYS A 59 -11.918 21.523 2.116 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.104 22.203 0.314 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -11.082 24.373 0.552 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -12.009 24.271 -0.932 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -13.841 23.857 1.251 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -12.856 25.250 1.655 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -13.490 26.423 -0.344 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -14.118 24.972 -1.099 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -15.552 25.252 1.353 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -15.484 26.858 0.655 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -17.393 25.632 -0.152 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -16.326 25.956 -1.432 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -16.392 24.400 -0.756 1.00 1.00 H new ATOM 861 N LYS A 60 -10.664 20.725 -0.674 1.00 1.00 N ATOM 862 CA LYS A 60 -10.045 19.938 -1.727 1.00 1.00 C ATOM 863 C LYS A 60 -10.282 18.452 -1.453 1.00 1.00 C ATOM 864 O LYS A 60 -10.030 17.973 -0.348 1.00 1.00 O ATOM 865 CB LYS A 60 -8.569 20.308 -1.875 1.00 1.00 C ATOM 866 CG LYS A 60 -7.898 20.449 -0.508 1.00 1.00 C ATOM 867 CD LYS A 60 -6.493 21.039 -0.643 1.00 1.00 C ATOM 868 CE LYS A 60 -5.691 20.306 -1.720 1.00 1.00 C ATOM 869 NZ LYS A 60 -5.910 20.928 -3.044 1.00 1.00 N ATOM 0 H LYS A 60 -10.422 20.435 0.273 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.504 20.162 -2.690 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.056 19.544 -2.459 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.479 21.244 -2.426 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.504 21.088 0.134 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.841 19.474 -0.025 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.562 22.098 -0.893 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.973 20.971 0.312 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -4.630 20.331 -1.471 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.987 19.257 -1.751 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -6.439 20.271 -3.653 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.453 21.807 -2.929 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -4.992 21.143 -3.483 1.00 1.00 H new ATOM 882 N GLY A 61 -10.764 17.764 -2.476 1.00 1.00 N ATOM 883 CA GLY A 61 -11.038 16.340 -2.360 1.00 1.00 C ATOM 884 C GLY A 61 -12.514 16.043 -2.629 1.00 1.00 C ATOM 885 O GLY A 61 -13.362 16.931 -2.671 1.00 1.00 O ATOM 0 H GLY A 61 -10.973 18.165 -3.390 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.418 15.788 -3.066 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.770 15.994 -1.362 1.00 1.00 H new ATOM 889 N PRO A 62 -12.805 14.752 -2.812 1.00 1.00 N ATOM 890 CA PRO A 62 -14.134 14.245 -3.077 1.00 1.00 C ATOM 891 C PRO A 62 -14.808 13.868 -1.765 1.00 1.00 C ATOM 892 O PRO A 62 -14.115 13.447 -0.840 1.00 1.00 O ATOM 893 CB PRO A 62 -13.915 13.014 -3.953 1.00 1.00 C ATOM 894 CG PRO A 62 -12.533 12.486 -3.408 1.00 1.00 C ATOM 895 CD PRO A 62 -11.833 13.681 -2.768 1.00 1.00 C ATOM 0 HA PRO A 62 -14.777 14.976 -3.567 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.711 12.279 -3.835 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -13.869 13.267 -5.012 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -12.682 11.689 -2.680 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.931 12.071 -4.216 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.534 13.461 -1.743 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.928 13.947 -3.314 1.00 1.00 H new ATOM 903 N THR A 63 -16.122 14.024 -1.707 1.00 1.00 N ATOM 904 CA THR A 63 -16.862 13.695 -0.500 1.00 1.00 C ATOM 905 C THR A 63 -17.895 12.605 -0.788 1.00 1.00 C ATOM 906 O THR A 63 -18.465 12.025 0.135 1.00 1.00 O ATOM 907 CB THR A 63 -17.477 14.986 0.045 1.00 1.00 C ATOM 908 OG1 THR A 63 -18.324 15.437 -1.008 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.445 16.106 0.199 1.00 1.00 C ATOM 0 H THR A 63 -16.694 14.374 -2.476 1.00 1.00 H new ATOM 0 HA THR A 63 -16.205 13.282 0.266 1.00 1.00 H new ATOM 0 HB THR A 63 -17.944 14.788 1.010 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.765 16.270 -0.739 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.933 16.999 0.589 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.664 15.789 0.890 1.00 1.00 H new ATOM 0 HG23 THR A 63 -16.002 16.329 -0.772 1.00 1.00 H new ATOM 915 N LYS A 64 -18.106 12.359 -2.074 1.00 1.00 N ATOM 916 CA LYS A 64 -19.061 11.349 -2.495 1.00 1.00 C ATOM 917 C LYS A 64 -18.595 9.976 -2.004 1.00 1.00 C ATOM 918 O LYS A 64 -17.412 9.780 -1.729 1.00 1.00 O ATOM 919 CB LYS A 64 -19.282 11.418 -4.008 1.00 1.00 C ATOM 920 CG LYS A 64 -20.114 12.645 -4.385 1.00 1.00 C ATOM 921 CD LYS A 64 -21.584 12.270 -4.584 1.00 1.00 C ATOM 922 CE LYS A 64 -22.489 13.082 -3.656 1.00 1.00 C ATOM 923 NZ LYS A 64 -23.738 13.463 -4.352 1.00 1.00 N ATOM 0 H LYS A 64 -17.632 12.842 -2.837 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.036 11.536 -2.044 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.320 11.456 -4.518 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -19.787 10.514 -4.347 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -20.030 13.400 -3.603 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -19.721 13.088 -5.300 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -21.870 12.445 -5.621 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -21.721 11.206 -4.391 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -22.725 12.498 -2.767 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -21.966 13.977 -3.320 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -24.340 14.014 -3.707 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -23.508 14.038 -5.187 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -24.244 12.605 -4.651 1.00 1.00 H new ATOM 936 N CYS A 65 -19.549 9.061 -1.910 1.00 1.00 N ATOM 937 CA CYS A 65 -19.251 7.714 -1.458 1.00 1.00 C ATOM 938 C CYS A 65 -18.447 7.006 -2.551 1.00 1.00 C ATOM 939 O CYS A 65 -17.314 6.588 -2.321 1.00 1.00 O ATOM 940 CB CYS A 65 -20.523 6.943 -1.097 1.00 1.00 C ATOM 941 SG CYS A 65 -21.950 7.992 -0.636 1.00 1.00 S ATOM 0 H CYS A 65 -20.529 9.227 -2.139 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.659 7.759 -0.544 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -20.807 6.320 -1.945 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.301 6.271 -0.268 1.00 1.00 H new ATOM 0 HG CYS A 65 -22.970 7.237 -0.353 1.00 1.00 H new ATOM 946 N GLY A 66 -19.066 6.894 -3.717 1.00 1.00 N ATOM 947 CA GLY A 66 -18.423 6.244 -4.846 1.00 1.00 C ATOM 948 C GLY A 66 -16.975 6.718 -4.998 1.00 1.00 C ATOM 949 O GLY A 66 -16.149 6.021 -5.586 1.00 1.00 O ATOM 0 H GLY A 66 -20.006 7.243 -3.904 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -18.443 5.163 -4.708 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -18.978 6.459 -5.759 1.00 1.00 H new ATOM 953 N GLU A 67 -16.713 7.900 -4.460 1.00 1.00 N ATOM 954 CA GLU A 67 -15.380 8.475 -4.530 1.00 1.00 C ATOM 955 C GLU A 67 -14.434 7.736 -3.581 1.00 1.00 C ATOM 956 O GLU A 67 -13.258 7.550 -3.893 1.00 1.00 O ATOM 957 CB GLU A 67 -15.412 9.972 -4.217 1.00 1.00 C ATOM 958 CG GLU A 67 -16.118 10.750 -5.329 1.00 1.00 C ATOM 959 CD GLU A 67 -15.209 10.910 -6.549 1.00 1.00 C ATOM 960 OE1 GLU A 67 -14.474 9.974 -6.900 1.00 1.00 O ATOM 961 OE2 GLU A 67 -15.285 12.053 -7.140 1.00 1.00 O ATOM 0 H GLU A 67 -17.401 8.475 -3.974 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.007 8.358 -5.548 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -15.925 10.138 -3.270 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.394 10.344 -4.098 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.032 10.230 -5.618 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.413 11.732 -4.960 1.00 1.00 H new ATOM 969 N CYS A 68 -14.982 7.336 -2.443 1.00 1.00 N ATOM 970 CA CYS A 68 -14.200 6.622 -1.447 1.00 1.00 C ATOM 971 C CYS A 68 -14.512 5.129 -1.572 1.00 1.00 C ATOM 972 O CYS A 68 -13.607 4.300 -1.641 1.00 1.00 O ATOM 973 CB CYS A 68 -14.470 7.145 -0.035 1.00 1.00 C ATOM 974 SG CYS A 68 -13.366 8.558 0.330 1.00 1.00 S ATOM 0 H CYS A 68 -15.957 7.492 -2.188 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.138 6.787 -1.628 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.511 7.454 0.054 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.310 6.350 0.693 1.00 1.00 H new ATOM 0 HG CYS A 68 -13.605 8.996 1.530 1.00 1.00 H new ATOM 979 N HIS A 69 -15.810 4.824 -1.598 1.00 1.00 N ATOM 980 CA HIS A 69 -16.300 3.455 -1.712 1.00 1.00 C ATOM 981 C HIS A 69 -16.459 3.082 -3.198 1.00 1.00 C ATOM 982 O HIS A 69 -16.767 3.942 -4.021 1.00 1.00 O ATOM 983 CB HIS A 69 -17.586 3.317 -0.885 1.00 1.00 C ATOM 984 CG HIS A 69 -17.472 3.588 0.598 1.00 1.00 C ATOM 985 ND1 HIS A 69 -16.836 2.761 1.434 1.00 1.00 N ATOM 986 CD2 HIS A 69 -17.939 4.626 1.368 1.00 1.00 C ATOM 987 CE1 HIS A 69 -16.903 3.265 2.676 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.573 4.416 2.692 1.00 1.00 N ATOM 0 H HIS A 69 -16.551 5.523 -1.540 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.587 2.740 -1.302 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.331 3.996 -1.299 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -17.969 2.305 -1.018 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.375 1.890 1.171 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.502 5.472 1.002 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.470 2.798 3.548 1.00 1.00 H new ATOM 996 N LYS A 70 -16.245 1.807 -3.488 1.00 1.00 N ATOM 997 CA LYS A 70 -16.363 1.320 -4.851 1.00 1.00 C ATOM 998 C LYS A 70 -17.552 0.363 -4.946 1.00 1.00 C ATOM 999 O LYS A 70 -17.488 -0.762 -4.452 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.041 0.706 -5.318 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.100 0.340 -6.802 1.00 1.00 C ATOM 1002 CD LYS A 70 -14.880 -1.160 -7.005 1.00 1.00 C ATOM 1003 CE LYS A 70 -13.388 -1.494 -7.061 1.00 1.00 C ATOM 1004 NZ LYS A 70 -13.072 -2.614 -6.147 1.00 1.00 N ATOM 0 H LYS A 70 -15.991 1.097 -2.802 1.00 1.00 H new ATOM 0 HA LYS A 70 -16.563 2.146 -5.533 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -14.228 1.411 -5.146 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -14.821 -0.184 -4.729 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -16.067 0.628 -7.213 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -14.341 0.900 -7.349 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -15.350 -1.713 -6.192 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.363 -1.480 -7.928 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -13.107 -1.759 -8.080 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -12.803 -0.617 -6.786 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -12.055 -2.827 -6.198 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -13.322 -2.348 -5.173 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -13.616 -3.455 -6.427 1.00 1.00 H new ATOM 1017 N LYS A 71 -18.610 0.844 -5.583 1.00 1.00 N ATOM 1018 CA LYS A 71 -19.812 0.045 -5.748 1.00 1.00 C ATOM 1019 C LYS A 71 -20.131 -0.089 -7.238 1.00 1.00 C ATOM 1020 O LYS A 71 -21.210 0.296 -7.682 1.00 1.00 O ATOM 1021 CB LYS A 71 -20.961 0.629 -4.923 1.00 1.00 C ATOM 1022 CG LYS A 71 -21.154 -0.151 -3.621 1.00 1.00 C ATOM 1023 CD LYS A 71 -22.475 0.225 -2.948 1.00 1.00 C ATOM 1024 CE LYS A 71 -23.096 -0.983 -2.245 1.00 1.00 C ATOM 1025 NZ LYS A 71 -24.507 -0.711 -1.894 1.00 1.00 N ATOM 0 H LYS A 71 -18.659 1.778 -5.991 1.00 1.00 H new ATOM 0 HA LYS A 71 -19.654 -0.963 -5.364 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -20.756 1.675 -4.697 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -21.882 0.603 -5.506 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -21.139 -1.221 -3.828 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -20.325 0.054 -2.944 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -22.305 1.023 -2.225 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -23.169 0.613 -3.693 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -23.039 -1.857 -2.893 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -22.530 -1.217 -1.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -24.913 -1.542 -1.418 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -24.554 0.110 -1.258 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -25.048 -0.510 -2.759 1.00 1.00 H new