USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 GLN : amide:sc= -0.236 K(o=0.25,f=-8.6!) USER MOD Set 1.2: A 51 TYR OH : rot -35:sc= 0.49 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 54:sc= -0.131 USER MOD Single : A 3 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.37) USER MOD Single : A 5 LYS NZ :NH3+ -107:sc= -0.102 (180deg=-0.749) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.2) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.016) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.668 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= -0.105 (180deg=-0.665) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.673 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0476 F(o=-1.3,f=-0.048) USER MOD Single : A 28 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.0019) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.95 X(o=-2,f=-1.6) USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= -0.427 (180deg=-1.83!) USER MOD Single : A 41 HIS :FLIP no HE2:sc= -0.0437 F(o=-0.57,f=-0.044) USER MOD Single : A 47 SER OG : rot 45:sc= 1.01 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.21 X(o=-0.21,f=0.055) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 142:sc= -0.507 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= -0.0233 (180deg=-0.033) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 161:sc= -0.0611 (180deg=-0.427) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 173:sc= -0.58 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0834 X(o=-0.083,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.353 0.196 -7.621 1.00 63.43 N ATOM 2 CA GLY A 1 -6.919 -0.991 -6.907 1.00 1.22 C ATOM 3 C GLY A 1 -5.530 -1.439 -7.316 1.00 41.33 C ATOM 4 O GLY A 1 -4.532 -0.965 -6.773 1.00 11.01 O ATOM 0 H1 GLY A 1 -8.308 0.461 -7.305 1.00 63.43 H new ATOM 0 H2 GLY A 1 -6.695 0.978 -7.427 1.00 63.43 H new ATOM 0 H3 GLY A 1 -7.368 0.001 -8.642 1.00 63.43 H new ATOM 0 HA2 GLY A 1 -6.932 -0.792 -5.835 1.00 1.22 H new ATOM 0 HA3 GLY A 1 -7.627 -1.800 -7.089 1.00 1.22 H new ATOM 8 N SER A 2 -5.464 -2.356 -8.276 1.00 55.34 N ATOM 9 CA SER A 2 -4.187 -2.872 -8.754 1.00 73.05 C ATOM 10 C SER A 2 -3.273 -3.226 -7.586 1.00 23.12 C ATOM 11 O SER A 2 -2.113 -2.818 -7.545 1.00 41.05 O ATOM 12 CB SER A 2 -3.504 -1.844 -9.659 1.00 21.35 C ATOM 13 OG SER A 2 -3.689 -0.529 -9.166 1.00 3.33 O ATOM 0 H SER A 2 -6.280 -2.757 -8.738 1.00 55.34 H new ATOM 0 HA SER A 2 -4.381 -3.778 -9.328 1.00 73.05 H new ATOM 0 HB2 SER A 2 -2.439 -2.064 -9.726 1.00 21.35 H new ATOM 0 HB3 SER A 2 -3.909 -1.918 -10.668 1.00 21.35 H new ATOM 0 HG SER A 2 -3.400 -0.487 -8.230 1.00 3.33 H new ATOM 19 N ASN A 3 -3.805 -3.989 -6.636 1.00 42.32 N ATOM 20 CA ASN A 3 -3.038 -4.398 -5.465 1.00 64.14 C ATOM 21 C ASN A 3 -2.694 -5.883 -5.532 1.00 70.12 C ATOM 22 O ASN A 3 -2.532 -6.539 -4.504 1.00 31.12 O ATOM 23 CB ASN A 3 -3.823 -4.102 -4.186 1.00 41.01 C ATOM 24 CG ASN A 3 -2.951 -4.159 -2.946 1.00 53.04 C ATOM 25 OD1 ASN A 3 -3.214 -4.931 -2.024 1.00 55.20 O ATOM 26 ND2 ASN A 3 -1.907 -3.339 -2.919 1.00 61.34 N ATOM 0 H ASN A 3 -4.764 -4.336 -6.654 1.00 42.32 H new ATOM 0 HA ASN A 3 -2.109 -3.828 -5.453 1.00 64.14 H new ATOM 0 HB2 ASN A 3 -4.277 -3.114 -4.262 1.00 41.01 H new ATOM 0 HB3 ASN A 3 -4.637 -4.820 -4.088 1.00 41.01 H new ATOM 0 HD21 ASN A 3 -1.285 -3.332 -2.111 1.00 61.34 H new ATOM 0 HD22 ASN A 3 -1.727 -2.716 -3.706 1.00 61.34 H new ATOM 33 N GLU A 4 -2.584 -6.405 -6.750 1.00 20.43 N ATOM 34 CA GLU A 4 -2.260 -7.813 -6.950 1.00 2.10 C ATOM 35 C GLU A 4 -3.247 -8.709 -6.208 1.00 70.53 C ATOM 36 O GLU A 4 -2.864 -9.475 -5.324 1.00 35.54 O ATOM 37 CB GLU A 4 -0.834 -8.103 -6.476 1.00 34.35 C ATOM 38 CG GLU A 4 -0.199 -9.305 -7.156 1.00 14.44 C ATOM 39 CD GLU A 4 1.169 -9.638 -6.593 1.00 34.12 C ATOM 40 OE1 GLU A 4 1.797 -8.743 -5.990 1.00 61.21 O ATOM 41 OE2 GLU A 4 1.610 -10.795 -6.755 1.00 42.02 O ATOM 0 H GLU A 4 -2.714 -5.875 -7.612 1.00 20.43 H new ATOM 0 HA GLU A 4 -2.332 -8.028 -8.016 1.00 2.10 H new ATOM 0 HB2 GLU A 4 -0.214 -7.225 -6.657 1.00 34.35 H new ATOM 0 HB3 GLU A 4 -0.845 -8.269 -5.399 1.00 34.35 H new ATOM 0 HG2 GLU A 4 -0.854 -10.169 -7.044 1.00 14.44 H new ATOM 0 HG3 GLU A 4 -0.110 -9.108 -8.224 1.00 14.44 H new ATOM 48 N LYS A 5 -4.520 -8.608 -6.575 1.00 51.11 N ATOM 49 CA LYS A 5 -5.564 -9.409 -5.947 1.00 11.32 C ATOM 50 C LYS A 5 -6.160 -10.401 -6.940 1.00 32.32 C ATOM 51 O LYS A 5 -7.049 -10.072 -7.725 1.00 72.24 O ATOM 52 CB LYS A 5 -6.665 -8.503 -5.391 1.00 55.03 C ATOM 53 CG LYS A 5 -7.147 -7.455 -6.379 1.00 41.34 C ATOM 54 CD LYS A 5 -6.449 -6.122 -6.163 1.00 62.43 C ATOM 55 CE LYS A 5 -7.189 -5.263 -5.150 1.00 73.10 C ATOM 56 NZ LYS A 5 -7.013 -3.810 -5.421 1.00 5.40 N ATOM 0 H LYS A 5 -4.854 -7.979 -7.305 1.00 51.11 H new ATOM 0 HA LYS A 5 -5.114 -9.969 -5.127 1.00 11.32 H new ATOM 0 HB2 LYS A 5 -7.511 -9.119 -5.086 1.00 55.03 H new ATOM 0 HB3 LYS A 5 -6.295 -8.003 -4.496 1.00 55.03 H new ATOM 0 HG2 LYS A 5 -6.965 -7.802 -7.396 1.00 41.34 H new ATOM 0 HG3 LYS A 5 -8.224 -7.324 -6.275 1.00 41.34 H new ATOM 0 HD2 LYS A 5 -5.430 -6.296 -5.819 1.00 62.43 H new ATOM 0 HD3 LYS A 5 -6.379 -5.589 -7.111 1.00 62.43 H new ATOM 0 HE2 LYS A 5 -8.250 -5.510 -5.171 1.00 73.10 H new ATOM 0 HE3 LYS A 5 -6.828 -5.492 -4.147 1.00 73.10 H new ATOM 0 HZ1 LYS A 5 -6.375 -3.399 -4.710 1.00 5.40 H new ATOM 0 HZ2 LYS A 5 -6.605 -3.681 -6.369 1.00 5.40 H new ATOM 0 HZ3 LYS A 5 -7.936 -3.334 -5.374 1.00 5.40 H new ATOM 70 N PRO A 6 -5.662 -11.646 -6.905 1.00 20.11 N ATOM 71 CA PRO A 6 -6.133 -12.712 -7.794 1.00 64.31 C ATOM 72 C PRO A 6 -7.549 -13.165 -7.457 1.00 53.24 C ATOM 73 O PRO A 6 -8.101 -12.795 -6.420 1.00 64.05 O ATOM 74 CB PRO A 6 -5.136 -13.847 -7.546 1.00 23.12 C ATOM 75 CG PRO A 6 -4.618 -13.602 -6.171 1.00 25.12 C ATOM 76 CD PRO A 6 -4.601 -12.109 -5.994 1.00 52.24 C ATOM 0 HA PRO A 6 -6.179 -12.385 -8.833 1.00 64.31 H new ATOM 0 HB2 PRO A 6 -5.619 -14.821 -7.619 1.00 23.12 H new ATOM 0 HB3 PRO A 6 -4.331 -13.834 -8.281 1.00 23.12 H new ATOM 0 HG2 PRO A 6 -5.255 -14.076 -5.424 1.00 25.12 H new ATOM 0 HG3 PRO A 6 -3.619 -14.021 -6.050 1.00 25.12 H new ATOM 0 HD2 PRO A 6 -4.805 -11.824 -4.962 1.00 52.24 H new ATOM 0 HD3 PRO A 6 -3.632 -11.684 -6.256 1.00 52.24 H new ATOM 84 N LYS A 7 -8.134 -13.968 -8.340 1.00 15.42 N ATOM 85 CA LYS A 7 -9.487 -14.473 -8.136 1.00 40.22 C ATOM 86 C LYS A 7 -9.519 -15.995 -8.232 1.00 55.33 C ATOM 87 O LYS A 7 -8.638 -16.608 -8.834 1.00 42.33 O ATOM 88 CB LYS A 7 -10.441 -13.866 -9.167 1.00 40.52 C ATOM 89 CG LYS A 7 -10.270 -14.436 -10.564 1.00 63.05 C ATOM 90 CD LYS A 7 -11.262 -15.555 -10.835 1.00 43.34 C ATOM 91 CE LYS A 7 -11.845 -15.455 -12.237 1.00 31.15 C ATOM 92 NZ LYS A 7 -11.104 -16.306 -13.208 1.00 23.31 N ATOM 0 H LYS A 7 -7.692 -14.283 -9.204 1.00 15.42 H new ATOM 0 HA LYS A 7 -9.810 -14.182 -7.136 1.00 40.22 H new ATOM 0 HB2 LYS A 7 -11.468 -14.030 -8.840 1.00 40.52 H new ATOM 0 HB3 LYS A 7 -10.286 -12.788 -9.202 1.00 40.52 H new ATOM 0 HG2 LYS A 7 -10.404 -13.643 -11.300 1.00 63.05 H new ATOM 0 HG3 LYS A 7 -9.254 -14.813 -10.682 1.00 63.05 H new ATOM 0 HD2 LYS A 7 -10.767 -16.519 -10.713 1.00 43.34 H new ATOM 0 HD3 LYS A 7 -12.067 -15.515 -10.101 1.00 43.34 H new ATOM 0 HE2 LYS A 7 -12.893 -15.755 -12.217 1.00 31.15 H new ATOM 0 HE3 LYS A 7 -11.817 -14.417 -12.569 1.00 31.15 H new ATOM 0 HZ1 LYS A 7 -11.532 -16.210 -14.151 1.00 23.31 H new ATOM 0 HZ2 LYS A 7 -10.110 -16.004 -13.247 1.00 23.31 H new ATOM 0 HZ3 LYS A 7 -11.152 -17.300 -12.906 1.00 23.31 H new ATOM 106 N VAL A 8 -10.543 -16.599 -7.636 1.00 65.24 N ATOM 107 CA VAL A 8 -10.691 -18.049 -7.657 1.00 72.43 C ATOM 108 C VAL A 8 -11.813 -18.473 -8.599 1.00 23.31 C ATOM 109 O VAL A 8 -12.802 -17.760 -8.765 1.00 51.34 O ATOM 110 CB VAL A 8 -10.980 -18.604 -6.250 1.00 32.32 C ATOM 111 CG1 VAL A 8 -10.938 -20.125 -6.256 1.00 50.21 C ATOM 112 CG2 VAL A 8 -9.991 -18.039 -5.241 1.00 71.55 C ATOM 0 H VAL A 8 -11.281 -16.107 -7.133 1.00 65.24 H new ATOM 0 HA VAL A 8 -9.746 -18.459 -8.014 1.00 72.43 H new ATOM 0 HB VAL A 8 -11.982 -18.294 -5.955 1.00 32.32 H new ATOM 0 HG11 VAL A 8 -11.145 -20.499 -5.253 1.00 50.21 H new ATOM 0 HG12 VAL A 8 -11.689 -20.507 -6.947 1.00 50.21 H new ATOM 0 HG13 VAL A 8 -9.950 -20.460 -6.572 1.00 50.21 H new ATOM 0 HG21 VAL A 8 -10.210 -18.442 -4.252 1.00 71.55 H new ATOM 0 HG22 VAL A 8 -8.977 -18.317 -5.530 1.00 71.55 H new ATOM 0 HG23 VAL A 8 -10.076 -16.953 -5.217 1.00 71.55 H new ATOM 122 N LYS A 9 -11.652 -19.640 -9.213 1.00 74.44 N ATOM 123 CA LYS A 9 -12.652 -20.163 -10.138 1.00 44.40 C ATOM 124 C LYS A 9 -14.018 -20.254 -9.467 1.00 74.31 C ATOM 125 O LYS A 9 -15.049 -20.025 -10.100 1.00 51.51 O ATOM 126 CB LYS A 9 -12.230 -21.541 -10.652 1.00 32.24 C ATOM 127 CG LYS A 9 -10.848 -21.559 -11.281 1.00 72.35 C ATOM 128 CD LYS A 9 -10.718 -22.672 -12.308 1.00 41.33 C ATOM 129 CE LYS A 9 -10.347 -23.994 -11.654 1.00 15.23 C ATOM 130 NZ LYS A 9 -10.340 -25.115 -12.634 1.00 3.02 N ATOM 0 H LYS A 9 -10.838 -20.242 -9.087 1.00 74.44 H new ATOM 0 HA LYS A 9 -12.726 -19.476 -10.981 1.00 44.40 H new ATOM 0 HB2 LYS A 9 -12.253 -22.250 -9.825 1.00 32.24 H new ATOM 0 HB3 LYS A 9 -12.959 -21.884 -11.386 1.00 32.24 H new ATOM 0 HG2 LYS A 9 -10.651 -20.598 -11.757 1.00 72.35 H new ATOM 0 HG3 LYS A 9 -10.095 -21.690 -10.504 1.00 72.35 H new ATOM 0 HD2 LYS A 9 -11.659 -22.783 -12.847 1.00 41.33 H new ATOM 0 HD3 LYS A 9 -9.960 -22.403 -13.043 1.00 41.33 H new ATOM 0 HE2 LYS A 9 -9.363 -23.908 -11.194 1.00 15.23 H new ATOM 0 HE3 LYS A 9 -11.054 -24.215 -10.855 1.00 15.23 H new ATOM 0 HZ1 LYS A 9 -10.336 -26.022 -12.124 1.00 3.02 H new ATOM 0 HZ2 LYS A 9 -11.188 -25.058 -13.233 1.00 3.02 H new ATOM 0 HZ3 LYS A 9 -9.490 -25.050 -13.230 1.00 3.02 H new ATOM 144 N LYS A 10 -14.020 -20.590 -8.182 1.00 20.25 N ATOM 145 CA LYS A 10 -15.259 -20.710 -7.423 1.00 55.30 C ATOM 146 C LYS A 10 -15.730 -19.345 -6.930 1.00 43.24 C ATOM 147 O LYS A 10 -16.912 -19.150 -6.645 1.00 24.14 O ATOM 148 CB LYS A 10 -15.065 -21.653 -6.234 1.00 60.51 C ATOM 149 CG LYS A 10 -16.364 -22.220 -5.688 1.00 53.22 C ATOM 150 CD LYS A 10 -16.164 -23.605 -5.097 1.00 60.20 C ATOM 151 CE LYS A 10 -17.300 -23.980 -4.157 1.00 44.40 C ATOM 152 NZ LYS A 10 -16.959 -25.163 -3.319 1.00 41.51 N ATOM 0 H LYS A 10 -13.176 -20.784 -7.643 1.00 20.25 H new ATOM 0 HA LYS A 10 -16.021 -21.121 -8.085 1.00 55.30 H new ATOM 0 HB2 LYS A 10 -14.418 -22.476 -6.536 1.00 60.51 H new ATOM 0 HB3 LYS A 10 -14.549 -21.118 -5.437 1.00 60.51 H new ATOM 0 HG2 LYS A 10 -16.761 -21.551 -4.924 1.00 53.22 H new ATOM 0 HG3 LYS A 10 -17.105 -22.268 -6.486 1.00 53.22 H new ATOM 0 HD2 LYS A 10 -16.098 -24.338 -5.901 1.00 60.20 H new ATOM 0 HD3 LYS A 10 -15.218 -23.638 -4.557 1.00 60.20 H new ATOM 0 HE2 LYS A 10 -17.532 -23.133 -3.512 1.00 44.40 H new ATOM 0 HE3 LYS A 10 -18.197 -24.193 -4.738 1.00 44.40 H new ATOM 0 HZ1 LYS A 10 -17.758 -25.387 -2.692 1.00 41.51 H new ATOM 0 HZ2 LYS A 10 -16.762 -25.979 -3.934 1.00 41.51 H new ATOM 0 HZ3 LYS A 10 -16.118 -24.951 -2.745 1.00 41.51 H new ATOM 166 N HIS A 11 -14.798 -18.402 -6.835 1.00 4.13 N ATOM 167 CA HIS A 11 -15.118 -17.054 -6.379 1.00 3.14 C ATOM 168 C HIS A 11 -15.866 -16.278 -7.459 1.00 21.33 C ATOM 169 O HIS A 11 -16.491 -15.255 -7.180 1.00 55.24 O ATOM 170 CB HIS A 11 -13.841 -16.308 -5.990 1.00 51.51 C ATOM 171 CG HIS A 11 -14.096 -14.984 -5.336 1.00 73.35 C ATOM 172 ND1 HIS A 11 -13.177 -13.957 -5.333 1.00 42.21 N ATOM 173 CD2 HIS A 11 -15.176 -14.523 -4.664 1.00 14.14 C ATOM 174 CE1 HIS A 11 -13.679 -12.921 -4.685 1.00 34.21 C ATOM 175 NE2 HIS A 11 -14.892 -13.239 -4.269 1.00 11.31 N ATOM 0 H HIS A 11 -13.815 -18.546 -7.068 1.00 4.13 H new ATOM 0 HA HIS A 11 -15.763 -17.136 -5.504 1.00 3.14 H new ATOM 0 HB2 HIS A 11 -13.257 -16.932 -5.313 1.00 51.51 H new ATOM 0 HB3 HIS A 11 -13.235 -16.152 -6.882 1.00 51.51 H new ATOM 0 HD2 HIS A 11 -16.091 -15.064 -4.474 1.00 14.14 H new ATOM 0 HE1 HIS A 11 -13.183 -11.976 -4.523 1.00 34.21 H new ATOM 0 HE2 HIS A 11 -15.516 -12.630 -3.740 1.00 11.31 H new ATOM 184 N ILE A 12 -15.796 -16.772 -8.690 1.00 51.24 N ATOM 185 CA ILE A 12 -16.467 -16.125 -9.811 1.00 41.11 C ATOM 186 C ILE A 12 -17.935 -15.860 -9.494 1.00 61.05 C ATOM 187 O ILE A 12 -18.525 -14.899 -9.989 1.00 74.35 O ATOM 188 CB ILE A 12 -16.375 -16.978 -11.090 1.00 51.44 C ATOM 189 CG1 ILE A 12 -16.859 -16.175 -12.300 1.00 64.11 C ATOM 190 CG2 ILE A 12 -17.188 -18.254 -10.935 1.00 71.25 C ATOM 191 CD1 ILE A 12 -16.180 -16.565 -13.594 1.00 62.14 C ATOM 0 H ILE A 12 -15.282 -17.618 -8.937 1.00 51.24 H new ATOM 0 HA ILE A 12 -15.957 -15.176 -9.979 1.00 41.11 H new ATOM 0 HB ILE A 12 -15.333 -17.252 -11.252 1.00 51.44 H new ATOM 0 HG12 ILE A 12 -17.935 -16.310 -12.409 1.00 64.11 H new ATOM 0 HG13 ILE A 12 -16.688 -15.115 -12.114 1.00 64.11 H new ATOM 0 HG21 ILE A 12 -17.113 -18.846 -11.847 1.00 71.25 H new ATOM 0 HG22 ILE A 12 -16.802 -18.831 -10.095 1.00 71.25 H new ATOM 0 HG23 ILE A 12 -18.232 -18.000 -10.752 1.00 71.25 H new ATOM 0 HD11 ILE A 12 -16.572 -15.956 -14.408 1.00 62.14 H new ATOM 0 HD12 ILE A 12 -15.106 -16.404 -13.504 1.00 62.14 H new ATOM 0 HD13 ILE A 12 -16.372 -17.617 -13.803 1.00 62.14 H new ATOM 203 N THR A 13 -18.520 -16.718 -8.664 1.00 2.20 N ATOM 204 CA THR A 13 -19.919 -16.577 -8.280 1.00 5.21 C ATOM 205 C THR A 13 -20.204 -15.178 -7.746 1.00 42.32 C ATOM 206 O THR A 13 -21.255 -14.600 -8.023 1.00 1.21 O ATOM 207 CB THR A 13 -20.315 -17.612 -7.211 1.00 24.44 C ATOM 208 OG1 THR A 13 -21.674 -17.408 -6.810 1.00 50.50 O ATOM 209 CG2 THR A 13 -19.403 -17.513 -5.997 1.00 64.22 C ATOM 0 H THR A 13 -18.046 -17.518 -8.245 1.00 2.20 H new ATOM 0 HA THR A 13 -20.512 -16.748 -9.178 1.00 5.21 H new ATOM 0 HB THR A 13 -20.210 -18.606 -7.645 1.00 24.44 H new ATOM 0 HG1 THR A 13 -21.918 -18.071 -6.131 1.00 50.50 H new ATOM 0 HG21 THR A 13 -19.702 -18.254 -5.256 1.00 64.22 H new ATOM 0 HG22 THR A 13 -18.373 -17.699 -6.300 1.00 64.22 H new ATOM 0 HG23 THR A 13 -19.480 -16.515 -5.565 1.00 64.22 H new ATOM 217 N SER A 14 -19.261 -14.638 -6.980 1.00 51.24 N ATOM 218 CA SER A 14 -19.413 -13.306 -6.405 1.00 60.52 C ATOM 219 C SER A 14 -19.304 -12.233 -7.484 1.00 3.02 C ATOM 220 O SER A 14 -20.046 -11.251 -7.475 1.00 64.32 O ATOM 221 CB SER A 14 -18.355 -13.070 -5.326 1.00 21.53 C ATOM 222 OG SER A 14 -18.668 -11.929 -4.546 1.00 24.31 O ATOM 0 H SER A 14 -18.384 -15.102 -6.743 1.00 51.24 H new ATOM 0 HA SER A 14 -20.403 -13.243 -5.953 1.00 60.52 H new ATOM 0 HB2 SER A 14 -18.286 -13.947 -4.682 1.00 21.53 H new ATOM 0 HB3 SER A 14 -17.378 -12.939 -5.792 1.00 21.53 H new ATOM 0 HG SER A 14 -17.978 -11.801 -3.863 1.00 24.31 H new ATOM 228 N ALA A 15 -18.372 -12.428 -8.412 1.00 33.14 N ATOM 229 CA ALA A 15 -18.166 -11.479 -9.498 1.00 51.23 C ATOM 230 C ALA A 15 -19.390 -11.408 -10.405 1.00 13.43 C ATOM 231 O ALA A 15 -19.782 -10.329 -10.853 1.00 30.13 O ATOM 232 CB ALA A 15 -16.932 -11.858 -10.304 1.00 32.44 C ATOM 0 H ALA A 15 -17.748 -13.235 -8.433 1.00 33.14 H new ATOM 0 HA ALA A 15 -18.012 -10.493 -9.060 1.00 51.23 H new ATOM 0 HB1 ALA A 15 -16.791 -11.140 -11.112 1.00 32.44 H new ATOM 0 HB2 ALA A 15 -16.057 -11.850 -9.654 1.00 32.44 H new ATOM 0 HB3 ALA A 15 -17.064 -12.855 -10.724 1.00 32.44 H new ATOM 238 N LEU A 16 -19.991 -12.562 -10.672 1.00 64.11 N ATOM 239 CA LEU A 16 -21.171 -12.631 -11.526 1.00 51.24 C ATOM 240 C LEU A 16 -22.334 -11.860 -10.911 1.00 14.21 C ATOM 241 O LEU A 16 -23.001 -11.075 -11.587 1.00 25.34 O ATOM 242 CB LEU A 16 -21.575 -14.088 -11.756 1.00 22.43 C ATOM 243 CG LEU A 16 -21.406 -14.615 -13.181 1.00 72.22 C ATOM 244 CD1 LEU A 16 -19.944 -14.569 -13.598 1.00 54.00 C ATOM 245 CD2 LEU A 16 -21.950 -16.032 -13.294 1.00 13.10 C ATOM 0 H LEU A 16 -19.680 -13.463 -10.309 1.00 64.11 H new ATOM 0 HA LEU A 16 -20.922 -12.174 -12.484 1.00 51.24 H new ATOM 0 HB2 LEU A 16 -20.989 -14.717 -11.086 1.00 22.43 H new ATOM 0 HB3 LEU A 16 -22.620 -14.204 -11.469 1.00 22.43 H new ATOM 0 HG LEU A 16 -21.975 -13.974 -13.854 1.00 72.22 H new ATOM 0 HD11 LEU A 16 -19.844 -14.948 -14.615 1.00 54.00 H new ATOM 0 HD12 LEU A 16 -19.586 -13.540 -13.557 1.00 54.00 H new ATOM 0 HD13 LEU A 16 -19.353 -15.186 -12.921 1.00 54.00 H new ATOM 0 HD21 LEU A 16 -21.821 -16.391 -14.315 1.00 13.10 H new ATOM 0 HD22 LEU A 16 -21.409 -16.685 -12.609 1.00 13.10 H new ATOM 0 HD23 LEU A 16 -23.010 -16.036 -13.039 1.00 13.10 H new ATOM 257 N LYS A 17 -22.572 -12.087 -9.623 1.00 54.35 N ATOM 258 CA LYS A 17 -23.653 -11.412 -8.914 1.00 43.51 C ATOM 259 C LYS A 17 -23.531 -9.897 -9.052 1.00 32.30 C ATOM 260 O LYS A 17 -24.534 -9.188 -9.132 1.00 35.13 O ATOM 261 CB LYS A 17 -23.641 -11.802 -7.434 1.00 72.15 C ATOM 262 CG LYS A 17 -24.193 -13.192 -7.168 1.00 14.20 C ATOM 263 CD LYS A 17 -25.674 -13.277 -7.500 1.00 2.44 C ATOM 264 CE LYS A 17 -26.483 -13.778 -6.313 1.00 61.33 C ATOM 265 NZ LYS A 17 -27.189 -12.669 -5.614 1.00 44.23 N ATOM 0 H LYS A 17 -22.031 -12.733 -9.049 1.00 54.35 H new ATOM 0 HA LYS A 17 -24.598 -11.725 -9.359 1.00 43.51 H new ATOM 0 HB2 LYS A 17 -22.618 -11.749 -7.061 1.00 72.15 H new ATOM 0 HB3 LYS A 17 -24.224 -11.074 -6.870 1.00 72.15 H new ATOM 0 HG2 LYS A 17 -23.644 -13.922 -7.762 1.00 14.20 H new ATOM 0 HG3 LYS A 17 -24.038 -13.452 -6.121 1.00 14.20 H new ATOM 0 HD2 LYS A 17 -26.038 -12.294 -7.801 1.00 2.44 H new ATOM 0 HD3 LYS A 17 -25.820 -13.945 -8.349 1.00 2.44 H new ATOM 0 HE2 LYS A 17 -27.211 -14.514 -6.655 1.00 61.33 H new ATOM 0 HE3 LYS A 17 -25.821 -14.286 -5.612 1.00 61.33 H new ATOM 0 HZ1 LYS A 17 -27.729 -13.052 -4.812 1.00 44.23 H new ATOM 0 HZ2 LYS A 17 -26.493 -11.979 -5.265 1.00 44.23 H new ATOM 0 HZ3 LYS A 17 -27.839 -12.200 -6.276 1.00 44.23 H new ATOM 279 N LYS A 18 -22.296 -9.408 -9.081 1.00 14.42 N ATOM 280 CA LYS A 18 -22.043 -7.978 -9.212 1.00 43.20 C ATOM 281 C LYS A 18 -22.212 -7.526 -10.659 1.00 44.30 C ATOM 282 O LYS A 18 -22.670 -6.413 -10.923 1.00 64.22 O ATOM 283 CB LYS A 18 -20.632 -7.642 -8.723 1.00 62.32 C ATOM 284 CG LYS A 18 -20.562 -7.320 -7.240 1.00 74.35 C ATOM 285 CD LYS A 18 -20.298 -8.566 -6.411 1.00 51.12 C ATOM 286 CE LYS A 18 -19.990 -8.216 -4.963 1.00 60.53 C ATOM 287 NZ LYS A 18 -18.831 -7.288 -4.851 1.00 53.23 N ATOM 0 H LYS A 18 -21.455 -9.981 -9.016 1.00 14.42 H new ATOM 0 HA LYS A 18 -22.770 -7.448 -8.597 1.00 43.20 H new ATOM 0 HB2 LYS A 18 -19.973 -8.484 -8.935 1.00 62.32 H new ATOM 0 HB3 LYS A 18 -20.253 -6.791 -9.289 1.00 62.32 H new ATOM 0 HG2 LYS A 18 -19.773 -6.590 -7.062 1.00 74.35 H new ATOM 0 HG3 LYS A 18 -21.498 -6.862 -6.922 1.00 74.35 H new ATOM 0 HD2 LYS A 18 -21.168 -9.222 -6.451 1.00 51.12 H new ATOM 0 HD3 LYS A 18 -19.462 -9.119 -6.839 1.00 51.12 H new ATOM 0 HE2 LYS A 18 -20.867 -7.758 -4.506 1.00 60.53 H new ATOM 0 HE3 LYS A 18 -19.780 -9.129 -4.406 1.00 60.53 H new ATOM 0 HZ1 LYS A 18 -18.461 -7.311 -3.879 1.00 53.23 H new ATOM 0 HZ2 LYS A 18 -18.085 -7.583 -5.513 1.00 53.23 H new ATOM 0 HZ3 LYS A 18 -19.137 -6.321 -5.082 1.00 53.23 H new ATOM 301 N LEU A 19 -21.841 -8.395 -11.593 1.00 3.14 N ATOM 302 CA LEU A 19 -21.953 -8.086 -13.014 1.00 2.41 C ATOM 303 C LEU A 19 -23.401 -7.796 -13.395 1.00 41.35 C ATOM 304 O LEU A 19 -23.703 -6.756 -13.982 1.00 34.24 O ATOM 305 CB LEU A 19 -21.415 -9.246 -13.853 1.00 21.34 C ATOM 306 CG LEU A 19 -19.938 -9.167 -14.239 1.00 43.24 C ATOM 307 CD1 LEU A 19 -19.407 -10.544 -14.605 1.00 61.15 C ATOM 308 CD2 LEU A 19 -19.740 -8.193 -15.392 1.00 61.21 C ATOM 0 H LEU A 19 -21.460 -9.319 -11.392 1.00 3.14 H new ATOM 0 HA LEU A 19 -21.358 -7.195 -13.215 1.00 2.41 H new ATOM 0 HB2 LEU A 19 -21.577 -10.172 -13.302 1.00 21.34 H new ATOM 0 HB3 LEU A 19 -22.006 -9.312 -14.767 1.00 21.34 H new ATOM 0 HG LEU A 19 -19.377 -8.801 -13.379 1.00 43.24 H new ATOM 0 HD11 LEU A 19 -18.354 -10.468 -14.877 1.00 61.15 H new ATOM 0 HD12 LEU A 19 -19.514 -11.214 -13.752 1.00 61.15 H new ATOM 0 HD13 LEU A 19 -19.972 -10.939 -15.449 1.00 61.15 H new ATOM 0 HD21 LEU A 19 -18.683 -8.149 -15.654 1.00 61.21 H new ATOM 0 HD22 LEU A 19 -20.314 -8.530 -16.255 1.00 61.21 H new ATOM 0 HD23 LEU A 19 -20.081 -7.202 -15.094 1.00 61.21 H new ATOM 320 N VAL A 20 -24.293 -8.721 -13.057 1.00 73.12 N ATOM 321 CA VAL A 20 -25.711 -8.564 -13.361 1.00 45.23 C ATOM 322 C VAL A 20 -26.281 -7.319 -12.692 1.00 12.41 C ATOM 323 O VAL A 20 -27.240 -6.722 -13.182 1.00 33.20 O ATOM 324 CB VAL A 20 -26.521 -9.793 -12.910 1.00 32.11 C ATOM 325 CG1 VAL A 20 -26.535 -9.896 -11.392 1.00 53.23 C ATOM 326 CG2 VAL A 20 -27.938 -9.729 -13.461 1.00 45.53 C ATOM 0 H VAL A 20 -24.059 -9.588 -12.572 1.00 73.12 H new ATOM 0 HA VAL A 20 -25.794 -8.462 -14.443 1.00 45.23 H new ATOM 0 HB VAL A 20 -26.041 -10.688 -13.307 1.00 32.11 H new ATOM 0 HG11 VAL A 20 -27.112 -10.771 -11.092 1.00 53.23 H new ATOM 0 HG12 VAL A 20 -25.513 -9.992 -11.024 1.00 53.23 H new ATOM 0 HG13 VAL A 20 -26.990 -8.999 -10.971 1.00 53.23 H new ATOM 0 HG21 VAL A 20 -28.496 -10.606 -13.132 1.00 45.53 H new ATOM 0 HG22 VAL A 20 -28.430 -8.828 -13.096 1.00 45.53 H new ATOM 0 HG23 VAL A 20 -27.904 -9.708 -14.550 1.00 45.53 H new ATOM 336 N ASP A 21 -25.685 -6.931 -11.570 1.00 20.01 N ATOM 337 CA ASP A 21 -26.133 -5.755 -10.833 1.00 3.10 C ATOM 338 C ASP A 21 -25.596 -4.477 -11.471 1.00 30.32 C ATOM 339 O ASP A 21 -26.273 -3.449 -11.492 1.00 21.12 O ATOM 340 CB ASP A 21 -25.683 -5.839 -9.374 1.00 24.23 C ATOM 341 CG ASP A 21 -26.538 -4.990 -8.454 1.00 32.50 C ATOM 342 OD1 ASP A 21 -26.398 -3.750 -8.491 1.00 21.44 O ATOM 343 OD2 ASP A 21 -27.348 -5.566 -7.697 1.00 23.51 O ATOM 0 H ASP A 21 -24.890 -7.414 -11.151 1.00 20.01 H new ATOM 0 HA ASP A 21 -27.222 -5.728 -10.868 1.00 3.10 H new ATOM 0 HB2 ASP A 21 -25.721 -6.877 -9.045 1.00 24.23 H new ATOM 0 HB3 ASP A 21 -24.644 -5.518 -9.298 1.00 24.23 H new ATOM 348 N LYS A 22 -24.375 -4.549 -11.989 1.00 42.23 N ATOM 349 CA LYS A 22 -23.746 -3.399 -12.628 1.00 42.12 C ATOM 350 C LYS A 22 -23.901 -3.466 -14.144 1.00 71.31 C ATOM 351 O LYS A 22 -23.121 -2.868 -14.885 1.00 25.11 O ATOM 352 CB LYS A 22 -22.262 -3.333 -12.259 1.00 40.04 C ATOM 353 CG LYS A 22 -22.008 -3.315 -10.762 1.00 44.31 C ATOM 354 CD LYS A 22 -20.622 -3.839 -10.425 1.00 43.24 C ATOM 355 CE LYS A 22 -19.534 -2.989 -11.065 1.00 71.41 C ATOM 356 NZ LYS A 22 -18.172 -3.438 -10.664 1.00 60.21 N ATOM 0 H LYS A 22 -23.801 -5.392 -11.979 1.00 42.23 H new ATOM 0 HA LYS A 22 -24.244 -2.498 -12.269 1.00 42.12 H new ATOM 0 HB2 LYS A 22 -21.749 -4.190 -12.696 1.00 40.04 H new ATOM 0 HB3 LYS A 22 -21.825 -2.439 -12.704 1.00 40.04 H new ATOM 0 HG2 LYS A 22 -22.114 -2.297 -10.386 1.00 44.31 H new ATOM 0 HG3 LYS A 22 -22.760 -3.922 -10.257 1.00 44.31 H new ATOM 0 HD2 LYS A 22 -20.489 -3.849 -9.343 1.00 43.24 H new ATOM 0 HD3 LYS A 22 -20.528 -4.870 -10.767 1.00 43.24 H new ATOM 0 HE2 LYS A 22 -19.627 -3.036 -12.150 1.00 71.41 H new ATOM 0 HE3 LYS A 22 -19.672 -1.946 -10.778 1.00 71.41 H new ATOM 0 HZ1 LYS A 22 -17.459 -2.834 -11.121 1.00 60.21 H new ATOM 0 HZ2 LYS A 22 -18.074 -3.369 -9.631 1.00 60.21 H new ATOM 0 HZ3 LYS A 22 -18.031 -4.425 -10.960 1.00 60.21 H new ATOM 370 N TYR A 23 -24.914 -4.196 -14.598 1.00 64.25 N ATOM 371 CA TYR A 23 -25.170 -4.342 -16.026 1.00 74.03 C ATOM 372 C TYR A 23 -25.447 -2.987 -16.671 1.00 73.42 C ATOM 373 O TYR A 23 -24.928 -2.681 -17.744 1.00 51.45 O ATOM 374 CB TYR A 23 -26.354 -5.282 -16.259 1.00 55.15 C ATOM 375 CG TYR A 23 -26.628 -5.561 -17.720 1.00 45.02 C ATOM 376 CD1 TYR A 23 -27.450 -4.725 -18.465 1.00 43.35 C ATOM 377 CD2 TYR A 23 -26.064 -6.661 -18.355 1.00 34.11 C ATOM 378 CE1 TYR A 23 -27.703 -4.976 -19.800 1.00 43.02 C ATOM 379 CE2 TYR A 23 -26.311 -6.919 -19.689 1.00 64.34 C ATOM 380 CZ TYR A 23 -27.130 -6.074 -20.408 1.00 34.13 C ATOM 381 OH TYR A 23 -27.379 -6.329 -21.737 1.00 13.31 O ATOM 0 H TYR A 23 -25.571 -4.695 -13.998 1.00 64.25 H new ATOM 0 HA TYR A 23 -24.279 -4.768 -16.488 1.00 74.03 H new ATOM 0 HB2 TYR A 23 -26.164 -6.225 -15.747 1.00 55.15 H new ATOM 0 HB3 TYR A 23 -27.246 -4.848 -15.807 1.00 55.15 H new ATOM 0 HD1 TYR A 23 -27.899 -3.864 -17.993 1.00 43.35 H new ATOM 0 HD2 TYR A 23 -25.422 -7.325 -17.796 1.00 34.11 H new ATOM 0 HE1 TYR A 23 -28.346 -4.316 -20.364 1.00 43.02 H new ATOM 0 HE2 TYR A 23 -25.865 -7.779 -20.167 1.00 64.34 H new ATOM 0 HH TYR A 23 -26.899 -7.139 -22.010 1.00 13.31 H new ATOM 391 N ARG A 24 -26.269 -2.180 -16.008 1.00 22.44 N ATOM 392 CA ARG A 24 -26.616 -0.859 -16.515 1.00 10.50 C ATOM 393 C ARG A 24 -25.659 0.200 -15.975 1.00 21.14 C ATOM 394 O ARG A 24 -25.848 1.395 -16.199 1.00 33.50 O ATOM 395 CB ARG A 24 -28.054 -0.504 -16.133 1.00 12.33 C ATOM 396 CG ARG A 24 -29.101 -1.224 -16.966 1.00 73.14 C ATOM 397 CD ARG A 24 -30.346 -1.534 -16.150 1.00 74.12 C ATOM 398 NE ARG A 24 -31.498 -1.828 -16.999 1.00 11.30 N ATOM 399 CZ ARG A 24 -32.168 -0.901 -17.675 1.00 11.02 C ATOM 400 NH1 ARG A 24 -31.803 0.371 -17.602 1.00 2.41 N ATOM 401 NH2 ARG A 24 -33.206 -1.247 -18.426 1.00 42.42 N ATOM 0 H ARG A 24 -26.707 -2.419 -15.118 1.00 22.44 H new ATOM 0 HA ARG A 24 -26.531 -0.881 -17.601 1.00 10.50 H new ATOM 0 HB2 ARG A 24 -28.211 -0.743 -15.081 1.00 12.33 H new ATOM 0 HB3 ARG A 24 -28.194 0.572 -16.239 1.00 12.33 H new ATOM 0 HG2 ARG A 24 -29.371 -0.608 -17.824 1.00 73.14 H new ATOM 0 HG3 ARG A 24 -28.682 -2.151 -17.358 1.00 73.14 H new ATOM 0 HD2 ARG A 24 -30.149 -2.385 -15.498 1.00 74.12 H new ATOM 0 HD3 ARG A 24 -30.578 -0.686 -15.506 1.00 74.12 H new ATOM 0 HE ARG A 24 -31.805 -2.798 -17.077 1.00 11.30 H new ATOM 0 HH11 ARG A 24 -31.006 0.641 -17.026 1.00 2.41 H new ATOM 0 HH12 ARG A 24 -32.319 1.080 -18.122 1.00 2.41 H new ATOM 0 HH21 ARG A 24 -33.490 -2.225 -18.484 1.00 42.42 H new ATOM 0 HH22 ARG A 24 -33.720 -0.535 -18.945 1.00 42.42 H new ATOM 415 N ASN A 25 -24.631 -0.248 -15.261 1.00 31.20 N ATOM 416 CA ASN A 25 -23.645 0.660 -14.687 1.00 42.35 C ATOM 417 C ASN A 25 -22.508 0.921 -15.671 1.00 73.13 C ATOM 418 O ASN A 25 -22.033 2.049 -15.802 1.00 25.15 O ATOM 419 CB ASN A 25 -23.085 0.083 -13.386 1.00 12.13 C ATOM 420 CG ASN A 25 -24.020 0.295 -12.210 1.00 61.04 C ATOM 421 OD1 ASN A 25 -25.302 0.019 -12.417 1.00 24.04 O flip ATOM 422 ND2 ASN A 25 -23.594 0.702 -11.130 1.00 72.32 N flip ATOM 0 H ASN A 25 -24.459 -1.234 -15.066 1.00 31.20 H new ATOM 0 HA ASN A 25 -24.142 1.606 -14.473 1.00 42.35 H new ATOM 0 HB2 ASN A 25 -22.902 -0.984 -13.514 1.00 12.13 H new ATOM 0 HB3 ASN A 25 -22.123 0.547 -13.170 1.00 12.13 H new ATOM 0 HD21 ASN A 25 -22.600 0.901 -11.016 1.00 72.32 H new ATOM 0 HD22 ASN A 25 -24.235 0.840 -10.348 1.00 72.32 H new ATOM 429 N ASP A 26 -22.079 -0.130 -16.362 1.00 5.53 N ATOM 430 CA ASP A 26 -20.999 -0.015 -17.335 1.00 40.15 C ATOM 431 C ASP A 26 -21.411 -0.613 -18.677 1.00 14.21 C ATOM 432 O ASP A 26 -21.912 -1.735 -18.739 1.00 20.12 O ATOM 433 CB ASP A 26 -19.740 -0.712 -16.818 1.00 31.34 C ATOM 434 CG ASP A 26 -18.505 0.158 -16.938 1.00 42.31 C ATOM 435 OD1 ASP A 26 -18.452 0.988 -17.870 1.00 61.03 O ATOM 436 OD2 ASP A 26 -17.591 0.011 -16.100 1.00 34.32 O ATOM 0 H ASP A 26 -22.462 -1.070 -16.266 1.00 5.53 H new ATOM 0 HA ASP A 26 -20.785 1.044 -17.479 1.00 40.15 H new ATOM 0 HB2 ASP A 26 -19.885 -0.990 -15.774 1.00 31.34 H new ATOM 0 HB3 ASP A 26 -19.585 -1.636 -17.375 1.00 31.34 H new ATOM 441 N GLU A 27 -21.198 0.146 -19.748 1.00 34.42 N ATOM 442 CA GLU A 27 -21.550 -0.310 -21.088 1.00 12.43 C ATOM 443 C GLU A 27 -20.718 -1.525 -21.485 1.00 70.42 C ATOM 444 O GLU A 27 -21.172 -2.380 -22.247 1.00 23.22 O ATOM 445 CB GLU A 27 -21.345 0.816 -22.103 1.00 54.52 C ATOM 446 CG GLU A 27 -19.884 1.113 -22.397 1.00 13.14 C ATOM 447 CD GLU A 27 -19.685 2.461 -23.063 1.00 30.32 C ATOM 448 OE1 GLU A 27 -20.697 3.130 -23.361 1.00 23.15 O ATOM 449 OE2 GLU A 27 -18.519 2.846 -23.287 1.00 24.24 O ATOM 0 H GLU A 27 -20.784 1.078 -19.714 1.00 34.42 H new ATOM 0 HA GLU A 27 -22.601 -0.598 -21.082 1.00 12.43 H new ATOM 0 HB2 GLU A 27 -21.847 0.551 -23.033 1.00 54.52 H new ATOM 0 HB3 GLU A 27 -21.823 1.722 -21.730 1.00 54.52 H new ATOM 0 HG2 GLU A 27 -19.317 1.084 -21.467 1.00 13.14 H new ATOM 0 HG3 GLU A 27 -19.480 0.331 -23.040 1.00 13.14 H new ATOM 456 N HIS A 28 -19.497 -1.595 -20.964 1.00 60.35 N ATOM 457 CA HIS A 28 -18.600 -2.706 -21.265 1.00 34.05 C ATOM 458 C HIS A 28 -19.115 -4.002 -20.645 1.00 61.14 C ATOM 459 O HIS A 28 -18.875 -5.090 -21.169 1.00 74.20 O ATOM 460 CB HIS A 28 -17.192 -2.405 -20.750 1.00 71.54 C ATOM 461 CG HIS A 28 -16.373 -1.582 -21.695 1.00 43.53 C ATOM 462 ND1 HIS A 28 -15.035 -1.315 -21.495 1.00 43.24 N ATOM 463 CD2 HIS A 28 -16.709 -0.965 -22.853 1.00 22.52 C ATOM 464 CE1 HIS A 28 -14.584 -0.569 -22.488 1.00 4.21 C ATOM 465 NE2 HIS A 28 -15.580 -0.343 -23.326 1.00 23.15 N ATOM 0 H HIS A 28 -19.106 -0.896 -20.332 1.00 60.35 H new ATOM 0 HA HIS A 28 -18.564 -2.830 -22.347 1.00 34.05 H new ATOM 0 HB2 HIS A 28 -17.267 -1.882 -19.797 1.00 71.54 H new ATOM 0 HB3 HIS A 28 -16.675 -3.345 -20.558 1.00 71.54 H new ATOM 0 HD2 HIS A 28 -17.684 -0.963 -23.318 1.00 22.52 H new ATOM 0 HE1 HIS A 28 -13.573 -0.206 -22.596 1.00 4.21 H new ATOM 0 HE2 HIS A 28 -15.520 0.204 -24.185 1.00 23.15 H new ATOM 474 N VAL A 29 -19.823 -3.878 -19.527 1.00 4.11 N ATOM 475 CA VAL A 29 -20.371 -5.039 -18.837 1.00 32.05 C ATOM 476 C VAL A 29 -21.535 -5.642 -19.615 1.00 15.44 C ATOM 477 O VAL A 29 -21.744 -6.855 -19.599 1.00 12.24 O ATOM 478 CB VAL A 29 -20.850 -4.675 -17.419 1.00 5.45 C ATOM 479 CG1 VAL A 29 -21.479 -5.882 -16.740 1.00 43.03 C ATOM 480 CG2 VAL A 29 -19.695 -4.129 -16.591 1.00 74.21 C ATOM 0 H VAL A 29 -20.030 -2.985 -19.080 1.00 4.11 H new ATOM 0 HA VAL A 29 -19.568 -5.772 -18.764 1.00 32.05 H new ATOM 0 HB VAL A 29 -21.610 -3.898 -17.500 1.00 5.45 H new ATOM 0 HG11 VAL A 29 -21.811 -5.605 -15.740 1.00 43.03 H new ATOM 0 HG12 VAL A 29 -22.333 -6.224 -17.324 1.00 43.03 H new ATOM 0 HG13 VAL A 29 -20.744 -6.684 -16.669 1.00 43.03 H new ATOM 0 HG21 VAL A 29 -20.051 -3.877 -15.592 1.00 74.21 H new ATOM 0 HG22 VAL A 29 -18.912 -4.883 -16.518 1.00 74.21 H new ATOM 0 HG23 VAL A 29 -19.295 -3.235 -17.070 1.00 74.21 H new ATOM 490 N ARG A 30 -22.291 -4.786 -20.295 1.00 61.15 N ATOM 491 CA ARG A 30 -23.435 -5.234 -21.080 1.00 13.02 C ATOM 492 C ARG A 30 -22.992 -6.158 -22.210 1.00 64.10 C ATOM 493 O ARG A 30 -23.479 -7.282 -22.336 1.00 1.23 O ATOM 494 CB ARG A 30 -24.188 -4.033 -21.655 1.00 12.33 C ATOM 495 CG ARG A 30 -24.861 -3.173 -20.597 1.00 52.14 C ATOM 496 CD ARG A 30 -26.014 -2.372 -21.182 1.00 34.23 C ATOM 497 NE ARG A 30 -25.814 -0.934 -21.030 1.00 50.52 N ATOM 498 CZ ARG A 30 -25.059 -0.207 -21.846 1.00 40.34 C ATOM 499 NH1 ARG A 30 -24.437 -0.781 -22.867 1.00 23.25 N ATOM 500 NH2 ARG A 30 -24.926 1.098 -21.643 1.00 64.32 N ATOM 0 H ARG A 30 -22.132 -3.779 -20.318 1.00 61.15 H new ATOM 0 HA ARG A 30 -24.101 -5.790 -20.420 1.00 13.02 H new ATOM 0 HB2 ARG A 30 -23.492 -3.416 -22.223 1.00 12.33 H new ATOM 0 HB3 ARG A 30 -24.943 -4.390 -22.356 1.00 12.33 H new ATOM 0 HG2 ARG A 30 -25.229 -3.807 -19.791 1.00 52.14 H new ATOM 0 HG3 ARG A 30 -24.130 -2.494 -20.159 1.00 52.14 H new ATOM 0 HD2 ARG A 30 -26.123 -2.613 -22.239 1.00 34.23 H new ATOM 0 HD3 ARG A 30 -26.943 -2.663 -20.691 1.00 34.23 H new ATOM 0 HE ARG A 30 -26.279 -0.462 -20.255 1.00 50.52 H new ATOM 0 HH11 ARG A 30 -24.538 -1.783 -23.027 1.00 23.25 H new ATOM 0 HH12 ARG A 30 -23.858 -0.220 -23.492 1.00 23.25 H new ATOM 0 HH21 ARG A 30 -25.404 1.544 -20.860 1.00 64.32 H new ATOM 0 HH22 ARG A 30 -24.346 1.655 -22.270 1.00 64.32 H new ATOM 514 N LYS A 31 -22.064 -5.677 -23.031 1.00 73.11 N ATOM 515 CA LYS A 31 -21.553 -6.459 -24.151 1.00 13.31 C ATOM 516 C LYS A 31 -20.883 -7.738 -23.660 1.00 73.24 C ATOM 517 O LYS A 31 -20.972 -8.784 -24.304 1.00 54.33 O ATOM 518 CB LYS A 31 -20.558 -5.630 -24.966 1.00 54.33 C ATOM 519 CG LYS A 31 -19.205 -5.472 -24.296 1.00 24.12 C ATOM 520 CD LYS A 31 -18.239 -4.686 -25.167 1.00 12.22 C ATOM 521 CE LYS A 31 -16.794 -5.059 -24.874 1.00 10.32 C ATOM 522 NZ LYS A 31 -15.841 -4.305 -25.735 1.00 12.43 N ATOM 0 H LYS A 31 -21.650 -4.749 -22.942 1.00 73.11 H new ATOM 0 HA LYS A 31 -22.396 -6.732 -24.786 1.00 13.31 H new ATOM 0 HB2 LYS A 31 -20.419 -6.099 -25.940 1.00 54.33 H new ATOM 0 HB3 LYS A 31 -20.982 -4.642 -25.146 1.00 54.33 H new ATOM 0 HG2 LYS A 31 -19.329 -4.965 -23.339 1.00 24.12 H new ATOM 0 HG3 LYS A 31 -18.786 -6.456 -24.083 1.00 24.12 H new ATOM 0 HD2 LYS A 31 -18.459 -4.875 -26.218 1.00 12.22 H new ATOM 0 HD3 LYS A 31 -18.382 -3.619 -24.999 1.00 12.22 H new ATOM 0 HE2 LYS A 31 -16.573 -4.859 -23.826 1.00 10.32 H new ATOM 0 HE3 LYS A 31 -16.656 -6.129 -25.030 1.00 10.32 H new ATOM 0 HZ1 LYS A 31 -14.867 -4.587 -25.505 1.00 12.43 H new ATOM 0 HZ2 LYS A 31 -16.035 -4.515 -26.735 1.00 12.43 H new ATOM 0 HZ3 LYS A 31 -15.954 -3.285 -25.568 1.00 12.43 H new ATOM 536 N VAL A 32 -20.213 -7.649 -22.516 1.00 13.12 N ATOM 537 CA VAL A 32 -19.530 -8.800 -21.938 1.00 35.13 C ATOM 538 C VAL A 32 -20.529 -9.837 -21.437 1.00 35.11 C ATOM 539 O VAL A 32 -20.487 -11.000 -21.839 1.00 35.12 O ATOM 540 CB VAL A 32 -18.614 -8.382 -20.773 1.00 24.22 C ATOM 541 CG1 VAL A 32 -18.126 -9.605 -20.012 1.00 24.42 C ATOM 542 CG2 VAL A 32 -17.441 -7.561 -21.287 1.00 2.24 C ATOM 0 H VAL A 32 -20.128 -6.791 -21.971 1.00 13.12 H new ATOM 0 HA VAL A 32 -18.922 -9.238 -22.730 1.00 35.13 H new ATOM 0 HB VAL A 32 -19.189 -7.762 -20.086 1.00 24.22 H new ATOM 0 HG11 VAL A 32 -17.480 -9.290 -19.193 1.00 24.42 H new ATOM 0 HG12 VAL A 32 -18.981 -10.149 -19.611 1.00 24.42 H new ATOM 0 HG13 VAL A 32 -17.567 -10.254 -20.686 1.00 24.42 H new ATOM 0 HG21 VAL A 32 -16.804 -7.274 -20.451 1.00 2.24 H new ATOM 0 HG22 VAL A 32 -16.864 -8.155 -21.996 1.00 2.24 H new ATOM 0 HG23 VAL A 32 -17.814 -6.665 -21.783 1.00 2.24 H new ATOM 552 N PHE A 33 -21.428 -9.408 -20.557 1.00 73.21 N ATOM 553 CA PHE A 33 -22.439 -10.300 -20.000 1.00 40.32 C ATOM 554 C PHE A 33 -23.373 -10.813 -21.092 1.00 63.15 C ATOM 555 O PHE A 33 -23.918 -11.912 -20.992 1.00 31.22 O ATOM 556 CB PHE A 33 -23.247 -9.578 -18.920 1.00 54.54 C ATOM 557 CG PHE A 33 -23.555 -10.436 -17.727 1.00 22.11 C ATOM 558 CD1 PHE A 33 -22.559 -10.771 -16.823 1.00 14.21 C ATOM 559 CD2 PHE A 33 -24.839 -10.908 -17.509 1.00 11.04 C ATOM 560 CE1 PHE A 33 -22.840 -11.561 -15.724 1.00 64.34 C ATOM 561 CE2 PHE A 33 -25.125 -11.699 -16.412 1.00 13.44 C ATOM 562 CZ PHE A 33 -24.124 -12.025 -15.518 1.00 13.32 C ATOM 0 H PHE A 33 -21.477 -8.449 -20.214 1.00 73.21 H new ATOM 0 HA PHE A 33 -21.928 -11.153 -19.553 1.00 40.32 H new ATOM 0 HB2 PHE A 33 -22.694 -8.698 -18.591 1.00 54.54 H new ATOM 0 HB3 PHE A 33 -24.182 -9.223 -19.353 1.00 54.54 H new ATOM 0 HD1 PHE A 33 -21.553 -10.411 -16.979 1.00 14.21 H new ATOM 0 HD2 PHE A 33 -25.626 -10.655 -18.204 1.00 11.04 H new ATOM 0 HE1 PHE A 33 -22.055 -11.815 -15.027 1.00 64.34 H new ATOM 0 HE2 PHE A 33 -26.130 -12.062 -16.254 1.00 13.44 H new ATOM 0 HZ PHE A 33 -24.345 -12.642 -14.659 1.00 13.32 H new ATOM 572 N ASP A 34 -23.552 -10.009 -22.135 1.00 21.42 N ATOM 573 CA ASP A 34 -24.419 -10.381 -23.247 1.00 20.31 C ATOM 574 C ASP A 34 -23.849 -11.576 -24.005 1.00 23.25 C ATOM 575 O ASP A 34 -24.558 -12.543 -24.282 1.00 0.32 O ATOM 576 CB ASP A 34 -24.600 -9.198 -24.198 1.00 40.53 C ATOM 577 CG ASP A 34 -25.424 -9.557 -25.419 1.00 13.40 C ATOM 578 OD1 ASP A 34 -24.926 -10.329 -26.264 1.00 75.12 O ATOM 579 OD2 ASP A 34 -26.567 -9.064 -25.529 1.00 60.55 O ATOM 0 H ASP A 34 -23.108 -9.096 -22.233 1.00 21.42 H new ATOM 0 HA ASP A 34 -25.390 -10.662 -22.840 1.00 20.31 H new ATOM 0 HB2 ASP A 34 -25.083 -8.378 -23.666 1.00 40.53 H new ATOM 0 HB3 ASP A 34 -23.621 -8.839 -24.517 1.00 40.53 H new ATOM 584 N GLU A 35 -22.564 -11.501 -24.337 1.00 23.41 N ATOM 585 CA GLU A 35 -21.900 -12.577 -25.064 1.00 44.44 C ATOM 586 C GLU A 35 -21.795 -13.832 -24.203 1.00 62.24 C ATOM 587 O GLU A 35 -21.954 -14.950 -24.695 1.00 44.25 O ATOM 588 CB GLU A 35 -20.505 -12.134 -25.512 1.00 70.11 C ATOM 589 CG GLU A 35 -20.511 -11.284 -26.771 1.00 53.42 C ATOM 590 CD GLU A 35 -20.477 -12.117 -28.038 1.00 13.51 C ATOM 591 OE1 GLU A 35 -20.838 -13.310 -27.972 1.00 32.40 O ATOM 592 OE2 GLU A 35 -20.090 -11.575 -29.094 1.00 61.33 O ATOM 0 H GLU A 35 -21.963 -10.708 -24.115 1.00 23.41 H new ATOM 0 HA GLU A 35 -22.500 -12.811 -25.944 1.00 44.44 H new ATOM 0 HB2 GLU A 35 -20.036 -11.570 -24.706 1.00 70.11 H new ATOM 0 HB3 GLU A 35 -19.890 -13.018 -25.683 1.00 70.11 H new ATOM 0 HG2 GLU A 35 -21.402 -10.657 -26.777 1.00 53.42 H new ATOM 0 HG3 GLU A 35 -19.651 -10.615 -26.757 1.00 53.42 H new ATOM 599 N ILE A 36 -21.526 -13.639 -22.917 1.00 30.24 N ATOM 600 CA ILE A 36 -21.400 -14.755 -21.987 1.00 74.02 C ATOM 601 C ILE A 36 -22.753 -15.411 -21.730 1.00 63.22 C ATOM 602 O ILE A 36 -22.847 -16.632 -21.606 1.00 0.12 O ATOM 603 CB ILE A 36 -20.798 -14.304 -20.644 1.00 1.43 C ATOM 604 CG1 ILE A 36 -19.410 -13.697 -20.860 1.00 51.15 C ATOM 605 CG2 ILE A 36 -20.724 -15.475 -19.676 1.00 35.21 C ATOM 606 CD1 ILE A 36 -18.952 -12.814 -19.721 1.00 22.12 C ATOM 0 H ILE A 36 -21.391 -12.720 -22.495 1.00 30.24 H new ATOM 0 HA ILE A 36 -20.730 -15.478 -22.451 1.00 74.02 H new ATOM 0 HB ILE A 36 -21.445 -13.541 -20.212 1.00 1.43 H new ATOM 0 HG12 ILE A 36 -18.688 -14.502 -20.998 1.00 51.15 H new ATOM 0 HG13 ILE A 36 -19.417 -13.114 -21.781 1.00 51.15 H new ATOM 0 HG21 ILE A 36 -20.296 -15.140 -18.731 1.00 35.21 H new ATOM 0 HG22 ILE A 36 -21.726 -15.867 -19.502 1.00 35.21 H new ATOM 0 HG23 ILE A 36 -20.097 -16.259 -20.100 1.00 35.21 H new ATOM 0 HD11 ILE A 36 -17.961 -12.419 -19.943 1.00 22.12 H new ATOM 0 HD12 ILE A 36 -19.652 -11.988 -19.596 1.00 22.12 H new ATOM 0 HD13 ILE A 36 -18.912 -13.398 -18.801 1.00 22.12 H new ATOM 618 N GLN A 37 -23.797 -14.592 -21.654 1.00 23.33 N ATOM 619 CA GLN A 37 -25.144 -15.094 -21.413 1.00 15.13 C ATOM 620 C GLN A 37 -25.609 -15.981 -22.563 1.00 50.32 C ATOM 621 O GLN A 37 -26.270 -16.996 -22.348 1.00 22.32 O ATOM 622 CB GLN A 37 -26.119 -13.930 -21.225 1.00 3.31 C ATOM 623 CG GLN A 37 -26.314 -13.528 -19.772 1.00 2.01 C ATOM 624 CD GLN A 37 -27.168 -12.285 -19.620 1.00 0.23 C ATOM 625 OE1 GLN A 37 -28.169 -12.289 -18.902 1.00 64.01 O ATOM 626 NE2 GLN A 37 -26.777 -11.211 -20.296 1.00 22.00 N ATOM 0 H GLN A 37 -23.736 -13.579 -21.756 1.00 23.33 H new ATOM 0 HA GLN A 37 -25.123 -15.693 -20.502 1.00 15.13 H new ATOM 0 HB2 GLN A 37 -25.756 -13.069 -21.786 1.00 3.31 H new ATOM 0 HB3 GLN A 37 -27.085 -14.204 -21.650 1.00 3.31 H new ATOM 0 HG2 GLN A 37 -26.779 -14.352 -19.230 1.00 2.01 H new ATOM 0 HG3 GLN A 37 -25.341 -13.354 -19.313 1.00 2.01 H new ATOM 0 HE21 GLN A 37 -25.941 -11.252 -20.879 1.00 22.00 H new ATOM 0 HE22 GLN A 37 -27.312 -10.345 -20.232 1.00 22.00 H new ATOM 635 N GLN A 38 -25.259 -15.589 -23.784 1.00 72.22 N ATOM 636 CA GLN A 38 -25.642 -16.349 -24.968 1.00 41.25 C ATOM 637 C GLN A 38 -24.855 -17.652 -25.057 1.00 62.10 C ATOM 638 O GLN A 38 -25.434 -18.737 -25.116 1.00 21.11 O ATOM 639 CB GLN A 38 -25.414 -15.515 -26.231 1.00 35.14 C ATOM 640 CG GLN A 38 -26.110 -14.164 -26.201 1.00 14.12 C ATOM 641 CD GLN A 38 -27.266 -14.081 -27.179 1.00 2.12 C ATOM 642 OE1 GLN A 38 -27.214 -13.334 -28.157 1.00 31.24 O ATOM 643 NE2 GLN A 38 -28.317 -14.849 -26.920 1.00 32.50 N ATOM 0 H GLN A 38 -24.712 -14.751 -23.979 1.00 72.22 H new ATOM 0 HA GLN A 38 -26.702 -16.591 -24.886 1.00 41.25 H new ATOM 0 HB2 GLN A 38 -24.344 -15.360 -26.366 1.00 35.14 H new ATOM 0 HB3 GLN A 38 -25.766 -16.077 -27.096 1.00 35.14 H new ATOM 0 HG2 GLN A 38 -26.477 -13.971 -25.193 1.00 14.12 H new ATOM 0 HG3 GLN A 38 -25.387 -13.382 -26.432 1.00 14.12 H new ATOM 0 HE21 GLN A 38 -28.317 -15.453 -26.098 1.00 32.50 H new ATOM 0 HE22 GLN A 38 -29.125 -14.835 -27.543 1.00 32.50 H new ATOM 652 N LYS A 39 -23.531 -17.539 -25.066 1.00 40.54 N ATOM 653 CA LYS A 39 -22.663 -18.707 -25.147 1.00 22.21 C ATOM 654 C LYS A 39 -22.966 -19.689 -24.020 1.00 10.15 C ATOM 655 O LYS A 39 -22.848 -20.903 -24.191 1.00 51.12 O ATOM 656 CB LYS A 39 -21.194 -18.282 -25.086 1.00 61.10 C ATOM 657 CG LYS A 39 -20.738 -17.868 -23.698 1.00 24.13 C ATOM 658 CD LYS A 39 -19.336 -17.281 -23.723 1.00 72.43 C ATOM 659 CE LYS A 39 -18.308 -18.313 -24.163 1.00 12.42 C ATOM 660 NZ LYS A 39 -18.145 -18.338 -25.643 1.00 13.52 N ATOM 0 H LYS A 39 -23.035 -16.649 -25.018 1.00 40.54 H new ATOM 0 HA LYS A 39 -22.852 -19.203 -26.099 1.00 22.21 H new ATOM 0 HB2 LYS A 39 -20.571 -19.107 -25.433 1.00 61.10 H new ATOM 0 HB3 LYS A 39 -21.036 -17.452 -25.774 1.00 61.10 H new ATOM 0 HG2 LYS A 39 -21.433 -17.135 -23.289 1.00 24.13 H new ATOM 0 HG3 LYS A 39 -20.760 -18.732 -23.034 1.00 24.13 H new ATOM 0 HD2 LYS A 39 -19.310 -16.428 -24.401 1.00 72.43 H new ATOM 0 HD3 LYS A 39 -19.078 -16.909 -22.731 1.00 72.43 H new ATOM 0 HE2 LYS A 39 -17.348 -18.092 -23.696 1.00 12.42 H new ATOM 0 HE3 LYS A 39 -18.612 -19.300 -23.814 1.00 12.42 H new ATOM 0 HZ1 LYS A 39 -18.384 -19.284 -26.003 1.00 13.52 H new ATOM 0 HZ2 LYS A 39 -18.778 -17.634 -26.074 1.00 13.52 H new ATOM 0 HZ3 LYS A 39 -17.159 -18.114 -25.888 1.00 13.52 H new ATOM 674 N LEU A 40 -23.358 -19.157 -22.867 1.00 51.43 N ATOM 675 CA LEU A 40 -23.680 -19.986 -21.711 1.00 72.45 C ATOM 676 C LEU A 40 -25.173 -20.298 -21.664 1.00 4.02 C ATOM 677 O LEU A 40 -25.628 -21.081 -20.829 1.00 63.03 O ATOM 678 CB LEU A 40 -23.252 -19.286 -20.421 1.00 13.32 C ATOM 679 CG LEU A 40 -21.751 -19.046 -20.253 1.00 35.22 C ATOM 680 CD1 LEU A 40 -21.452 -18.480 -18.874 1.00 14.25 C ATOM 681 CD2 LEU A 40 -20.977 -20.336 -20.481 1.00 42.12 C ATOM 0 H LEU A 40 -23.460 -18.155 -22.708 1.00 51.43 H new ATOM 0 HA LEU A 40 -23.134 -20.925 -21.805 1.00 72.45 H new ATOM 0 HB2 LEU A 40 -23.762 -18.324 -20.367 1.00 13.32 H new ATOM 0 HB3 LEU A 40 -23.601 -19.880 -19.576 1.00 13.32 H new ATOM 0 HG LEU A 40 -21.433 -18.317 -20.999 1.00 35.22 H new ATOM 0 HD11 LEU A 40 -20.379 -18.316 -18.773 1.00 14.25 H new ATOM 0 HD12 LEU A 40 -21.978 -17.533 -18.747 1.00 14.25 H new ATOM 0 HD13 LEU A 40 -21.785 -19.184 -18.112 1.00 14.25 H new ATOM 0 HD21 LEU A 40 -19.911 -20.147 -20.358 1.00 42.12 H new ATOM 0 HD22 LEU A 40 -21.299 -21.086 -19.758 1.00 42.12 H new ATOM 0 HD23 LEU A 40 -21.166 -20.700 -21.491 1.00 42.12 H new ATOM 693 N HIS A 41 -25.930 -19.682 -22.566 1.00 2.42 N ATOM 694 CA HIS A 41 -27.371 -19.895 -22.629 1.00 33.55 C ATOM 695 C HIS A 41 -28.011 -19.693 -21.258 1.00 43.32 C ATOM 696 O HIS A 41 -28.813 -20.512 -20.809 1.00 10.54 O ATOM 697 CB HIS A 41 -27.678 -21.302 -23.144 1.00 45.11 C ATOM 698 CG HIS A 41 -27.225 -21.535 -24.552 1.00 63.45 C ATOM 699 ND1 HIS A 41 -25.982 -21.590 -25.085 1.00 1.11 N flip ATOM 700 CD2 HIS A 41 -28.098 -21.745 -25.599 1.00 65.02 C flip ATOM 701 CE1 HIS A 41 -26.125 -21.830 -26.430 1.00 24.01 C flip ATOM 702 NE2 HIS A 41 -27.412 -21.920 -26.714 1.00 22.34 N flip ATOM 0 H HIS A 41 -25.569 -19.031 -23.264 1.00 2.42 H new ATOM 0 HA HIS A 41 -27.791 -19.163 -23.319 1.00 33.55 H new ATOM 0 HB2 HIS A 41 -27.199 -22.032 -22.491 1.00 45.11 H new ATOM 0 HB3 HIS A 41 -28.752 -21.476 -23.083 1.00 45.11 H new ATOM 0 HD1 HIS A 41 -25.102 -21.475 -24.581 1.00 1.11 H new ATOM 0 HD2 HIS A 41 -29.175 -21.763 -25.519 1.00 65.02 H new ATOM 0 HE1 HIS A 41 -25.317 -21.929 -27.140 1.00 24.01 H new ATOM 711 N CYS A 42 -27.650 -18.597 -20.598 1.00 64.24 N ATOM 712 CA CYS A 42 -28.186 -18.287 -19.279 1.00 13.20 C ATOM 713 C CYS A 42 -28.539 -16.806 -19.170 1.00 33.21 C ATOM 714 O CYS A 42 -28.165 -16.003 -20.025 1.00 1.44 O ATOM 715 CB CYS A 42 -27.176 -18.663 -18.193 1.00 53.11 C ATOM 716 SG CYS A 42 -25.571 -17.814 -18.344 1.00 74.24 S ATOM 0 H CYS A 42 -26.988 -17.909 -20.956 1.00 64.24 H new ATOM 0 HA CYS A 42 -29.095 -18.871 -19.137 1.00 13.20 H new ATOM 0 HB2 CYS A 42 -27.605 -18.434 -17.218 1.00 53.11 H new ATOM 0 HB3 CYS A 42 -27.010 -19.740 -18.224 1.00 53.11 H new ATOM 721 N CYS A 43 -29.262 -16.452 -18.113 1.00 32.44 N ATOM 722 CA CYS A 43 -29.667 -15.070 -17.890 1.00 43.42 C ATOM 723 C CYS A 43 -29.193 -14.577 -16.526 1.00 1.12 C ATOM 724 O CYS A 43 -29.125 -15.344 -15.566 1.00 50.13 O ATOM 725 CB CYS A 43 -31.188 -14.938 -17.992 1.00 64.50 C ATOM 726 SG CYS A 43 -31.852 -15.260 -19.658 1.00 22.25 S ATOM 0 H CYS A 43 -29.580 -17.105 -17.396 1.00 32.44 H new ATOM 0 HA CYS A 43 -29.204 -14.454 -18.661 1.00 43.42 H new ATOM 0 HB2 CYS A 43 -31.650 -15.630 -17.288 1.00 64.50 H new ATOM 0 HB3 CYS A 43 -31.476 -13.932 -17.686 1.00 64.50 H new ATOM 731 N GLY A 44 -28.866 -13.290 -16.448 1.00 34.32 N ATOM 732 CA GLY A 44 -28.403 -12.717 -15.198 1.00 14.03 C ATOM 733 C GLY A 44 -27.269 -13.511 -14.580 1.00 74.14 C ATOM 734 O GLY A 44 -26.730 -14.424 -15.205 1.00 42.43 O ATOM 0 H GLY A 44 -28.914 -12.635 -17.228 1.00 34.32 H new ATOM 0 HA2 GLY A 44 -28.073 -11.693 -15.372 1.00 14.03 H new ATOM 0 HA3 GLY A 44 -29.234 -12.669 -14.494 1.00 14.03 H new ATOM 738 N ALA A 45 -26.906 -13.163 -13.350 1.00 41.45 N ATOM 739 CA ALA A 45 -25.829 -13.850 -12.649 1.00 0.34 C ATOM 740 C ALA A 45 -26.290 -15.208 -12.130 1.00 53.41 C ATOM 741 O ALA A 45 -25.786 -16.248 -12.553 1.00 74.13 O ATOM 742 CB ALA A 45 -25.315 -12.992 -11.502 1.00 45.21 C ATOM 0 H ALA A 45 -27.342 -12.409 -12.819 1.00 41.45 H new ATOM 0 HA ALA A 45 -25.017 -14.017 -13.356 1.00 0.34 H new ATOM 0 HB1 ALA A 45 -24.511 -13.517 -10.987 1.00 45.21 H new ATOM 0 HB2 ALA A 45 -24.939 -12.047 -11.895 1.00 45.21 H new ATOM 0 HB3 ALA A 45 -26.127 -12.796 -10.802 1.00 45.21 H new ATOM 748 N ASP A 46 -27.250 -15.190 -11.212 1.00 1.03 N ATOM 749 CA ASP A 46 -27.779 -16.420 -10.635 1.00 74.54 C ATOM 750 C ASP A 46 -29.168 -16.726 -11.189 1.00 22.13 C ATOM 751 O ASP A 46 -29.651 -17.854 -11.093 1.00 23.24 O ATOM 752 CB ASP A 46 -27.837 -16.311 -9.111 1.00 20.41 C ATOM 753 CG ASP A 46 -27.712 -17.660 -8.429 1.00 4.41 C ATOM 754 OD1 ASP A 46 -27.138 -18.583 -9.043 1.00 33.53 O ATOM 755 OD2 ASP A 46 -28.188 -17.791 -7.282 1.00 25.14 O ATOM 0 H ASP A 46 -27.678 -14.337 -10.851 1.00 1.03 H new ATOM 0 HA ASP A 46 -27.110 -17.237 -10.907 1.00 74.54 H new ATOM 0 HB2 ASP A 46 -27.036 -15.657 -8.766 1.00 20.41 H new ATOM 0 HB3 ASP A 46 -28.778 -15.845 -8.818 1.00 20.41 H new ATOM 760 N SER A 47 -29.805 -15.713 -11.767 1.00 50.00 N ATOM 761 CA SER A 47 -31.140 -15.872 -12.331 1.00 52.03 C ATOM 762 C SER A 47 -31.530 -14.650 -13.158 1.00 2.05 C ATOM 763 O SER A 47 -30.953 -13.570 -13.025 1.00 75.05 O ATOM 764 CB SER A 47 -32.164 -16.096 -11.217 1.00 74.12 C ATOM 765 OG SER A 47 -32.359 -17.479 -10.974 1.00 54.52 O ATOM 0 H SER A 47 -29.418 -14.773 -11.857 1.00 50.00 H new ATOM 0 HA SER A 47 -31.129 -16.744 -12.986 1.00 52.03 H new ATOM 0 HB2 SER A 47 -31.825 -15.607 -10.304 1.00 74.12 H new ATOM 0 HB3 SER A 47 -33.112 -15.635 -11.492 1.00 74.12 H new ATOM 0 HG SER A 47 -31.490 -17.931 -10.942 1.00 54.52 H new ATOM 771 N PRO A 48 -32.532 -14.823 -14.031 1.00 55.15 N ATOM 772 CA PRO A 48 -33.023 -13.746 -14.897 1.00 30.13 C ATOM 773 C PRO A 48 -33.761 -12.665 -14.115 1.00 4.43 C ATOM 774 O PRO A 48 -33.866 -11.523 -14.563 1.00 15.44 O ATOM 775 CB PRO A 48 -33.982 -14.465 -15.849 1.00 64.11 C ATOM 776 CG PRO A 48 -34.431 -15.669 -15.096 1.00 73.42 C ATOM 777 CD PRO A 48 -33.265 -16.083 -14.242 1.00 0.12 C ATOM 0 HA PRO A 48 -32.209 -13.226 -15.402 1.00 30.13 H new ATOM 0 HB2 PRO A 48 -34.825 -13.828 -16.117 1.00 64.11 H new ATOM 0 HB3 PRO A 48 -33.484 -14.742 -16.778 1.00 64.11 H new ATOM 0 HG2 PRO A 48 -35.303 -15.443 -14.482 1.00 73.42 H new ATOM 0 HG3 PRO A 48 -34.720 -16.470 -15.777 1.00 73.42 H new ATOM 0 HD2 PRO A 48 -33.593 -16.520 -13.299 1.00 0.12 H new ATOM 0 HD3 PRO A 48 -32.646 -16.829 -14.741 1.00 0.12 H new ATOM 785 N LYS A 49 -34.269 -13.031 -12.943 1.00 51.11 N ATOM 786 CA LYS A 49 -34.996 -12.092 -12.097 1.00 3.03 C ATOM 787 C LYS A 49 -34.087 -10.954 -11.642 1.00 34.12 C ATOM 788 O LYS A 49 -34.562 -9.911 -11.191 1.00 25.44 O ATOM 789 CB LYS A 49 -35.575 -12.815 -10.878 1.00 43.32 C ATOM 790 CG LYS A 49 -36.951 -13.409 -11.121 1.00 32.11 C ATOM 791 CD LYS A 49 -37.829 -13.305 -9.885 1.00 73.22 C ATOM 792 CE LYS A 49 -37.680 -14.527 -8.991 1.00 54.14 C ATOM 793 NZ LYS A 49 -38.741 -14.583 -7.948 1.00 33.41 N ATOM 0 H LYS A 49 -34.190 -13.972 -12.557 1.00 51.11 H new ATOM 0 HA LYS A 49 -35.812 -11.670 -12.683 1.00 3.03 H new ATOM 0 HB2 LYS A 49 -34.892 -13.611 -10.580 1.00 43.32 H new ATOM 0 HB3 LYS A 49 -35.633 -12.115 -10.044 1.00 43.32 H new ATOM 0 HG2 LYS A 49 -37.430 -12.892 -11.953 1.00 32.11 H new ATOM 0 HG3 LYS A 49 -36.851 -14.455 -11.410 1.00 32.11 H new ATOM 0 HD2 LYS A 49 -37.565 -12.408 -9.324 1.00 73.22 H new ATOM 0 HD3 LYS A 49 -38.871 -13.198 -10.186 1.00 73.22 H new ATOM 0 HE2 LYS A 49 -37.721 -15.430 -9.600 1.00 54.14 H new ATOM 0 HE3 LYS A 49 -36.701 -14.510 -8.513 1.00 54.14 H new ATOM 0 HZ1 LYS A 49 -38.605 -15.430 -7.359 1.00 33.41 H new ATOM 0 HZ2 LYS A 49 -38.686 -13.733 -7.351 1.00 33.41 H new ATOM 0 HZ3 LYS A 49 -39.675 -14.625 -8.404 1.00 33.41 H new ATOM 807 N ASP A 50 -32.781 -11.161 -11.765 1.00 10.11 N ATOM 808 CA ASP A 50 -31.806 -10.151 -11.369 1.00 34.12 C ATOM 809 C ASP A 50 -32.041 -8.845 -12.121 1.00 40.10 C ATOM 810 O ASP A 50 -31.780 -7.761 -11.599 1.00 15.31 O ATOM 811 CB ASP A 50 -30.385 -10.654 -11.627 1.00 32.44 C ATOM 812 CG ASP A 50 -30.052 -11.889 -10.813 1.00 22.13 C ATOM 813 OD1 ASP A 50 -30.610 -12.038 -9.706 1.00 75.51 O ATOM 814 OD2 ASP A 50 -29.231 -12.706 -11.282 1.00 14.22 O ATOM 0 H ASP A 50 -32.373 -12.019 -12.136 1.00 10.11 H new ATOM 0 HA ASP A 50 -31.928 -9.962 -10.302 1.00 34.12 H new ATOM 0 HB2 ASP A 50 -30.269 -10.879 -12.687 1.00 32.44 H new ATOM 0 HB3 ASP A 50 -29.674 -9.863 -11.389 1.00 32.44 H new ATOM 819 N TYR A 51 -32.533 -8.956 -13.350 1.00 32.13 N ATOM 820 CA TYR A 51 -32.800 -7.784 -14.175 1.00 65.24 C ATOM 821 C TYR A 51 -34.169 -7.193 -13.857 1.00 35.23 C ATOM 822 O TYR A 51 -34.416 -6.010 -14.085 1.00 12.20 O ATOM 823 CB TYR A 51 -32.722 -8.151 -15.658 1.00 54.13 C ATOM 824 CG TYR A 51 -31.327 -8.504 -16.123 1.00 55.20 C ATOM 825 CD1 TYR A 51 -30.262 -7.638 -15.907 1.00 55.35 C ATOM 826 CD2 TYR A 51 -31.075 -9.703 -16.778 1.00 44.54 C ATOM 827 CE1 TYR A 51 -28.986 -7.955 -16.331 1.00 34.52 C ATOM 828 CE2 TYR A 51 -29.802 -10.029 -17.204 1.00 24.22 C ATOM 829 CZ TYR A 51 -28.761 -9.152 -16.978 1.00 60.50 C ATOM 830 OH TYR A 51 -27.492 -9.474 -17.402 1.00 3.44 O ATOM 0 H TYR A 51 -32.755 -9.846 -13.797 1.00 32.13 H new ATOM 0 HA TYR A 51 -32.041 -7.034 -13.952 1.00 65.24 H new ATOM 0 HB2 TYR A 51 -33.384 -8.995 -15.850 1.00 54.13 H new ATOM 0 HB3 TYR A 51 -33.092 -7.314 -16.250 1.00 54.13 H new ATOM 0 HD1 TYR A 51 -30.435 -6.701 -15.399 1.00 55.35 H new ATOM 0 HD2 TYR A 51 -31.888 -10.391 -16.957 1.00 44.54 H new ATOM 0 HE1 TYR A 51 -28.170 -7.270 -16.157 1.00 34.52 H new ATOM 0 HE2 TYR A 51 -29.623 -10.965 -17.711 1.00 24.22 H new ATOM 0 HH TYR A 51 -27.030 -8.662 -17.697 1.00 3.44 H new ATOM 840 N GLY A 52 -35.058 -8.028 -13.326 1.00 72.02 N ATOM 841 CA GLY A 52 -36.392 -7.572 -12.984 1.00 14.54 C ATOM 842 C GLY A 52 -37.463 -8.207 -13.849 1.00 24.13 C ATOM 843 O GLY A 52 -37.864 -9.346 -13.613 1.00 14.13 O ATOM 0 H GLY A 52 -34.877 -9.012 -13.127 1.00 72.02 H new ATOM 0 HA2 GLY A 52 -36.593 -7.800 -11.937 1.00 14.54 H new ATOM 0 HA3 GLY A 52 -36.440 -6.488 -13.089 1.00 14.54 H new ATOM 847 N GLU A 53 -37.926 -7.469 -14.852 1.00 51.43 N ATOM 848 CA GLU A 53 -38.958 -7.967 -15.753 1.00 74.24 C ATOM 849 C GLU A 53 -38.671 -7.551 -17.193 1.00 54.51 C ATOM 850 O GLU A 53 -39.589 -7.366 -17.992 1.00 21.15 O ATOM 851 CB GLU A 53 -40.333 -7.450 -15.326 1.00 14.24 C ATOM 852 CG GLU A 53 -40.496 -5.948 -15.487 1.00 4.34 C ATOM 853 CD GLU A 53 -41.535 -5.369 -14.547 1.00 32.15 C ATOM 854 OE1 GLU A 53 -42.686 -5.855 -14.564 1.00 24.34 O ATOM 855 OE2 GLU A 53 -41.199 -4.431 -13.794 1.00 52.35 O ATOM 0 H GLU A 53 -37.603 -6.524 -15.061 1.00 51.43 H new ATOM 0 HA GLU A 53 -38.955 -9.056 -15.700 1.00 74.24 H new ATOM 0 HB2 GLU A 53 -41.100 -7.955 -15.913 1.00 14.24 H new ATOM 0 HB3 GLU A 53 -40.504 -7.716 -14.283 1.00 14.24 H new ATOM 0 HG2 GLU A 53 -39.538 -5.461 -15.307 1.00 4.34 H new ATOM 0 HG3 GLU A 53 -40.778 -5.725 -16.516 1.00 4.34 H new ATOM 862 N ASN A 54 -37.391 -7.404 -17.516 1.00 44.42 N ATOM 863 CA ASN A 54 -36.982 -7.008 -18.859 1.00 4.40 C ATOM 864 C ASN A 54 -35.499 -7.292 -19.082 1.00 54.32 C ATOM 865 O ASN A 54 -34.663 -6.389 -19.087 1.00 5.33 O ATOM 866 CB ASN A 54 -37.267 -5.521 -19.084 1.00 31.40 C ATOM 867 CG ASN A 54 -36.875 -4.670 -17.892 1.00 21.34 C ATOM 868 OD1 ASN A 54 -35.727 -4.243 -17.771 1.00 2.32 O ATOM 869 ND2 ASN A 54 -37.830 -4.421 -17.003 1.00 40.13 N ATOM 0 H ASN A 54 -36.619 -7.553 -16.867 1.00 44.42 H new ATOM 0 HA ASN A 54 -37.558 -7.594 -19.575 1.00 4.40 H new ATOM 0 HB2 ASN A 54 -36.724 -5.179 -19.965 1.00 31.40 H new ATOM 0 HB3 ASN A 54 -38.328 -5.385 -19.291 1.00 31.40 H new ATOM 0 HD21 ASN A 54 -37.625 -3.855 -16.179 1.00 40.13 H new ATOM 0 HD22 ASN A 54 -38.768 -4.796 -17.144 1.00 40.13 H new ATOM 876 N PRO A 55 -35.165 -8.577 -19.273 1.00 13.34 N ATOM 877 CA PRO A 55 -33.784 -9.010 -19.501 1.00 43.02 C ATOM 878 C PRO A 55 -33.256 -8.569 -20.862 1.00 64.21 C ATOM 879 O PRO A 55 -34.006 -8.126 -21.732 1.00 4.42 O ATOM 880 CB PRO A 55 -33.875 -10.536 -19.432 1.00 25.44 C ATOM 881 CG PRO A 55 -35.284 -10.849 -19.799 1.00 60.22 C ATOM 882 CD PRO A 55 -36.111 -9.706 -19.280 1.00 2.41 C ATOM 0 HA PRO A 55 -33.096 -8.577 -18.775 1.00 43.02 H new ATOM 0 HB2 PRO A 55 -33.173 -11.006 -20.121 1.00 25.44 H new ATOM 0 HB3 PRO A 55 -33.635 -10.902 -18.434 1.00 25.44 H new ATOM 0 HG2 PRO A 55 -35.393 -10.950 -20.879 1.00 60.22 H new ATOM 0 HG3 PRO A 55 -35.602 -11.793 -19.357 1.00 60.22 H new ATOM 0 HD2 PRO A 55 -36.969 -9.507 -19.922 1.00 2.41 H new ATOM 0 HD3 PRO A 55 -36.499 -9.911 -18.282 1.00 2.41 H new ATOM 890 N PRO A 56 -31.934 -8.694 -21.053 1.00 41.54 N ATOM 891 CA PRO A 56 -31.276 -8.314 -22.307 1.00 54.04 C ATOM 892 C PRO A 56 -31.630 -9.254 -23.455 1.00 1.01 C ATOM 893 O PRO A 56 -32.071 -10.383 -23.234 1.00 44.41 O ATOM 894 CB PRO A 56 -29.786 -8.416 -21.972 1.00 34.51 C ATOM 895 CG PRO A 56 -29.716 -9.400 -20.855 1.00 14.10 C ATOM 896 CD PRO A 56 -30.980 -9.215 -20.060 1.00 45.44 C ATOM 0 HA PRO A 56 -31.583 -7.324 -22.645 1.00 54.04 H new ATOM 0 HB2 PRO A 56 -29.209 -8.753 -22.833 1.00 34.51 H new ATOM 0 HB3 PRO A 56 -29.380 -7.449 -21.674 1.00 34.51 H new ATOM 0 HG2 PRO A 56 -29.640 -10.418 -21.236 1.00 14.10 H new ATOM 0 HG3 PRO A 56 -28.836 -9.225 -20.236 1.00 14.10 H new ATOM 0 HD2 PRO A 56 -31.324 -10.154 -19.627 1.00 45.44 H new ATOM 0 HD3 PRO A 56 -30.837 -8.517 -19.235 1.00 45.44 H new ATOM 904 N THR A 57 -31.434 -8.782 -24.682 1.00 63.33 N ATOM 905 CA THR A 57 -31.732 -9.580 -25.865 1.00 34.34 C ATOM 906 C THR A 57 -30.939 -10.882 -25.864 1.00 41.12 C ATOM 907 O THR A 57 -31.376 -11.887 -26.425 1.00 12.31 O ATOM 908 CB THR A 57 -31.423 -8.804 -27.159 1.00 35.41 C ATOM 909 OG1 THR A 57 -31.837 -9.567 -28.298 1.00 15.01 O ATOM 910 CG2 THR A 57 -29.938 -8.495 -27.263 1.00 3.55 C ATOM 0 H THR A 57 -31.070 -7.851 -24.883 1.00 63.33 H new ATOM 0 HA THR A 57 -32.798 -9.807 -25.833 1.00 34.34 H new ATOM 0 HB THR A 57 -31.973 -7.863 -27.132 1.00 35.41 H new ATOM 0 HG1 THR A 57 -31.639 -9.066 -29.117 1.00 15.01 H new ATOM 0 HG21 THR A 57 -29.744 -7.947 -28.185 1.00 3.55 H new ATOM 0 HG22 THR A 57 -29.632 -7.890 -26.410 1.00 3.55 H new ATOM 0 HG23 THR A 57 -29.372 -9.427 -27.269 1.00 3.55 H new ATOM 918 N SER A 58 -29.770 -10.857 -25.231 1.00 75.11 N ATOM 919 CA SER A 58 -28.914 -12.035 -25.161 1.00 32.34 C ATOM 920 C SER A 58 -29.551 -13.118 -24.295 1.00 23.50 C ATOM 921 O SER A 58 -29.205 -14.296 -24.399 1.00 53.22 O ATOM 922 CB SER A 58 -27.541 -11.661 -24.601 1.00 4.34 C ATOM 923 OG SER A 58 -27.157 -12.541 -23.559 1.00 32.44 O ATOM 0 H SER A 58 -29.395 -10.034 -24.760 1.00 75.11 H new ATOM 0 HA SER A 58 -28.792 -12.426 -26.171 1.00 32.34 H new ATOM 0 HB2 SER A 58 -26.799 -11.692 -25.399 1.00 4.34 H new ATOM 0 HB3 SER A 58 -27.564 -10.638 -24.227 1.00 4.34 H new ATOM 0 HG SER A 58 -26.196 -12.722 -23.621 1.00 32.44 H new ATOM 929 N CYS A 59 -30.483 -12.712 -23.440 1.00 1.31 N ATOM 930 CA CYS A 59 -31.169 -13.645 -22.555 1.00 21.13 C ATOM 931 C CYS A 59 -32.009 -14.636 -23.355 1.00 34.00 C ATOM 932 O CYS A 59 -32.364 -15.706 -22.861 1.00 33.03 O ATOM 933 CB CYS A 59 -32.058 -12.885 -21.568 1.00 71.34 C ATOM 934 SG CYS A 59 -33.035 -13.960 -20.468 1.00 5.52 S ATOM 0 H CYS A 59 -30.781 -11.741 -23.341 1.00 1.31 H new ATOM 0 HA CYS A 59 -30.414 -14.201 -21.999 1.00 21.13 H new ATOM 0 HB2 CYS A 59 -31.432 -12.233 -20.959 1.00 71.34 H new ATOM 0 HB3 CYS A 59 -32.737 -12.242 -22.128 1.00 71.34 H new ATOM 939 N SER A 60 -32.324 -14.272 -24.594 1.00 43.50 N ATOM 940 CA SER A 60 -33.125 -15.126 -25.462 1.00 71.21 C ATOM 941 C SER A 60 -32.391 -15.416 -26.768 1.00 4.24 C ATOM 942 O SER A 60 -31.414 -14.747 -27.106 1.00 51.33 O ATOM 943 CB SER A 60 -34.474 -14.467 -25.758 1.00 23.11 C ATOM 944 OG SER A 60 -34.349 -13.057 -25.824 1.00 22.11 O ATOM 0 H SER A 60 -32.036 -13.391 -25.019 1.00 43.50 H new ATOM 0 HA SER A 60 -33.295 -16.070 -24.944 1.00 71.21 H new ATOM 0 HB2 SER A 60 -34.868 -14.845 -26.702 1.00 23.11 H new ATOM 0 HB3 SER A 60 -35.192 -14.736 -24.983 1.00 23.11 H new ATOM 0 HG SER A 60 -35.224 -12.660 -26.016 1.00 22.11 H new ATOM 950 N LYS A 61 -32.868 -16.418 -27.498 1.00 24.34 N ATOM 951 CA LYS A 61 -32.259 -16.798 -28.767 1.00 71.20 C ATOM 952 C LYS A 61 -33.199 -17.685 -29.577 1.00 53.12 C ATOM 953 O LYS A 61 -33.719 -18.680 -29.072 1.00 2.04 O ATOM 954 CB LYS A 61 -30.936 -17.528 -28.524 1.00 10.31 C ATOM 955 CG LYS A 61 -29.986 -17.474 -29.707 1.00 64.45 C ATOM 956 CD LYS A 61 -29.367 -18.834 -29.988 1.00 13.22 C ATOM 957 CE LYS A 61 -30.223 -19.649 -30.945 1.00 14.20 C ATOM 958 NZ LYS A 61 -30.069 -19.192 -32.354 1.00 3.12 N ATOM 0 H LYS A 61 -33.675 -16.982 -27.232 1.00 24.34 H new ATOM 0 HA LYS A 61 -32.066 -15.888 -29.335 1.00 71.20 H new ATOM 0 HB2 LYS A 61 -30.445 -17.092 -27.654 1.00 10.31 H new ATOM 0 HB3 LYS A 61 -31.145 -18.570 -28.284 1.00 10.31 H new ATOM 0 HG2 LYS A 61 -30.523 -17.128 -30.590 1.00 64.45 H new ATOM 0 HG3 LYS A 61 -29.197 -16.748 -29.509 1.00 64.45 H new ATOM 0 HD2 LYS A 61 -28.372 -18.701 -30.412 1.00 13.22 H new ATOM 0 HD3 LYS A 61 -29.245 -19.380 -29.052 1.00 13.22 H new ATOM 0 HE2 LYS A 61 -29.948 -20.701 -30.872 1.00 14.20 H new ATOM 0 HE3 LYS A 61 -31.270 -19.573 -30.651 1.00 14.20 H new ATOM 0 HZ1 LYS A 61 -30.574 -19.844 -32.988 1.00 3.12 H new ATOM 0 HZ2 LYS A 61 -30.466 -18.236 -32.454 1.00 3.12 H new ATOM 0 HZ3 LYS A 61 -29.060 -19.176 -32.606 1.00 3.12 H new ATOM 972 N ASP A 62 -33.412 -17.318 -30.836 1.00 73.52 N ATOM 973 CA ASP A 62 -34.288 -18.082 -31.717 1.00 61.42 C ATOM 974 C ASP A 62 -35.718 -18.094 -31.186 1.00 2.42 C ATOM 975 O ASP A 62 -36.480 -19.023 -31.446 1.00 33.52 O ATOM 976 CB ASP A 62 -33.774 -19.515 -31.865 1.00 32.55 C ATOM 977 CG ASP A 62 -34.427 -20.249 -33.020 1.00 10.32 C ATOM 978 OD1 ASP A 62 -35.224 -19.620 -33.747 1.00 1.33 O ATOM 979 OD2 ASP A 62 -34.142 -21.452 -33.196 1.00 42.25 O ATOM 0 H ASP A 62 -32.990 -16.497 -31.269 1.00 73.52 H new ATOM 0 HA ASP A 62 -34.287 -17.601 -32.695 1.00 61.42 H new ATOM 0 HB2 ASP A 62 -32.694 -19.497 -32.014 1.00 32.55 H new ATOM 0 HB3 ASP A 62 -33.959 -20.061 -30.940 1.00 32.55 H new ATOM 984 N GLY A 63 -36.074 -17.053 -30.438 1.00 74.33 N ATOM 985 CA GLY A 63 -37.411 -16.964 -29.881 1.00 13.21 C ATOM 986 C GLY A 63 -37.573 -17.799 -28.626 1.00 54.13 C ATOM 987 O GLY A 63 -38.689 -18.159 -28.251 1.00 14.50 O ATOM 0 H GLY A 63 -35.461 -16.271 -30.208 1.00 74.33 H new ATOM 0 HA2 GLY A 63 -37.637 -15.923 -29.653 1.00 13.21 H new ATOM 0 HA3 GLY A 63 -38.135 -17.291 -30.627 1.00 13.21 H new ATOM 991 N VAL A 64 -36.457 -18.110 -27.976 1.00 24.20 N ATOM 992 CA VAL A 64 -36.479 -18.909 -26.756 1.00 55.05 C ATOM 993 C VAL A 64 -35.841 -18.156 -25.594 1.00 75.14 C ATOM 994 O VAL A 64 -34.968 -17.313 -25.794 1.00 43.11 O ATOM 995 CB VAL A 64 -35.746 -20.250 -26.950 1.00 11.42 C ATOM 996 CG1 VAL A 64 -34.268 -20.102 -26.620 1.00 74.44 C ATOM 997 CG2 VAL A 64 -36.386 -21.334 -26.096 1.00 64.11 C ATOM 0 H VAL A 64 -35.525 -17.821 -28.274 1.00 24.20 H new ATOM 0 HA VAL A 64 -37.526 -19.106 -26.526 1.00 55.05 H new ATOM 0 HB VAL A 64 -35.833 -20.545 -27.996 1.00 11.42 H new ATOM 0 HG11 VAL A 64 -33.766 -21.059 -26.763 1.00 74.44 H new ATOM 0 HG12 VAL A 64 -33.821 -19.356 -27.278 1.00 74.44 H new ATOM 0 HG13 VAL A 64 -34.157 -19.785 -25.583 1.00 74.44 H new ATOM 0 HG21 VAL A 64 -35.856 -22.275 -26.245 1.00 64.11 H new ATOM 0 HG22 VAL A 64 -36.331 -21.049 -25.045 1.00 64.11 H new ATOM 0 HG23 VAL A 64 -37.430 -21.456 -26.385 1.00 64.11 H new ATOM 1007 N GLN A 65 -36.284 -18.468 -24.380 1.00 51.55 N ATOM 1008 CA GLN A 65 -35.756 -17.820 -23.186 1.00 2.42 C ATOM 1009 C GLN A 65 -34.902 -18.788 -22.374 1.00 33.13 C ATOM 1010 O GLN A 65 -35.254 -19.957 -22.213 1.00 62.12 O ATOM 1011 CB GLN A 65 -36.899 -17.282 -22.323 1.00 73.44 C ATOM 1012 CG GLN A 65 -36.510 -16.081 -21.477 1.00 34.11 C ATOM 1013 CD GLN A 65 -36.655 -16.343 -19.991 1.00 12.12 C ATOM 1014 OE1 GLN A 65 -37.766 -16.492 -19.480 1.00 42.22 O ATOM 1015 NE2 GLN A 65 -35.530 -16.401 -19.287 1.00 55.22 N ATOM 0 H GLN A 65 -37.006 -19.165 -24.198 1.00 51.55 H new ATOM 0 HA GLN A 65 -35.128 -16.988 -23.503 1.00 2.42 H new ATOM 0 HB2 GLN A 65 -37.732 -17.006 -22.969 1.00 73.44 H new ATOM 0 HB3 GLN A 65 -37.254 -18.078 -21.668 1.00 73.44 H new ATOM 0 HG2 GLN A 65 -35.478 -15.807 -21.695 1.00 34.11 H new ATOM 0 HG3 GLN A 65 -37.131 -15.229 -21.754 1.00 34.11 H new ATOM 0 HE21 GLN A 65 -34.631 -16.272 -19.751 1.00 55.22 H new ATOM 0 HE22 GLN A 65 -35.565 -16.575 -18.283 1.00 55.22 H new ATOM 1024 N PHE A 66 -33.779 -18.294 -21.864 1.00 20.34 N ATOM 1025 CA PHE A 66 -32.874 -19.116 -21.069 1.00 20.52 C ATOM 1026 C PHE A 66 -33.229 -19.040 -19.587 1.00 15.11 C ATOM 1027 O PHE A 66 -32.884 -18.077 -18.902 1.00 2.50 O ATOM 1028 CB PHE A 66 -31.426 -18.670 -21.281 1.00 60.03 C ATOM 1029 CG PHE A 66 -30.992 -18.706 -22.719 1.00 33.32 C ATOM 1030 CD1 PHE A 66 -31.315 -19.785 -23.527 1.00 12.24 C ATOM 1031 CD2 PHE A 66 -30.262 -17.662 -23.263 1.00 12.24 C ATOM 1032 CE1 PHE A 66 -30.917 -19.821 -24.849 1.00 44.14 C ATOM 1033 CE2 PHE A 66 -29.861 -17.692 -24.585 1.00 32.20 C ATOM 1034 CZ PHE A 66 -30.190 -18.773 -25.380 1.00 2.14 C ATOM 0 H PHE A 66 -33.474 -17.329 -21.987 1.00 20.34 H new ATOM 0 HA PHE A 66 -32.981 -20.150 -21.398 1.00 20.52 H new ATOM 0 HB2 PHE A 66 -31.307 -17.656 -20.899 1.00 60.03 H new ATOM 0 HB3 PHE A 66 -30.767 -19.311 -20.695 1.00 60.03 H new ATOM 0 HD1 PHE A 66 -31.884 -20.607 -23.118 1.00 12.24 H new ATOM 0 HD2 PHE A 66 -30.003 -16.814 -22.646 1.00 12.24 H new ATOM 0 HE1 PHE A 66 -31.174 -20.668 -25.468 1.00 44.14 H new ATOM 0 HE2 PHE A 66 -29.291 -16.872 -24.996 1.00 32.20 H new ATOM 0 HZ PHE A 66 -29.880 -18.799 -26.414 1.00 2.14 H new ATOM 1044 N THR A 67 -33.924 -20.063 -19.097 1.00 45.32 N ATOM 1045 CA THR A 67 -34.328 -20.112 -17.698 1.00 11.30 C ATOM 1046 C THR A 67 -33.276 -20.813 -16.846 1.00 12.42 C ATOM 1047 O THR A 67 -33.601 -21.664 -16.019 1.00 14.32 O ATOM 1048 CB THR A 67 -35.676 -20.837 -17.528 1.00 54.11 C ATOM 1049 OG1 THR A 67 -35.607 -22.143 -18.111 1.00 21.25 O ATOM 1050 CG2 THR A 67 -36.802 -20.046 -18.177 1.00 41.25 C ATOM 0 H THR A 67 -34.218 -20.868 -19.649 1.00 45.32 H new ATOM 0 HA THR A 67 -34.434 -19.080 -17.363 1.00 11.30 H new ATOM 0 HB THR A 67 -35.883 -20.926 -16.462 1.00 54.11 H new ATOM 0 HG1 THR A 67 -36.467 -22.598 -17.997 1.00 21.25 H new ATOM 0 HG21 THR A 67 -37.744 -20.578 -18.044 1.00 41.25 H new ATOM 0 HG22 THR A 67 -36.871 -19.063 -17.711 1.00 41.25 H new ATOM 0 HG23 THR A 67 -36.598 -19.930 -19.241 1.00 41.25 H new ATOM 1058 N GLU A 68 -32.015 -20.448 -17.053 1.00 64.40 N ATOM 1059 CA GLU A 68 -30.915 -21.044 -16.302 1.00 53.35 C ATOM 1060 C GLU A 68 -29.935 -19.973 -15.831 1.00 54.03 C ATOM 1061 O GLU A 68 -29.702 -18.982 -16.522 1.00 55.01 O ATOM 1062 CB GLU A 68 -30.184 -22.078 -17.161 1.00 23.05 C ATOM 1063 CG GLU A 68 -31.053 -23.255 -17.568 1.00 74.33 C ATOM 1064 CD GLU A 68 -30.401 -24.124 -18.626 1.00 40.23 C ATOM 1065 OE1 GLU A 68 -30.417 -23.728 -19.811 1.00 1.43 O ATOM 1066 OE2 GLU A 68 -29.875 -25.199 -18.271 1.00 10.04 O ATOM 0 H GLU A 68 -31.729 -19.744 -17.733 1.00 64.40 H new ATOM 0 HA GLU A 68 -31.333 -21.540 -15.426 1.00 53.35 H new ATOM 0 HB2 GLU A 68 -29.805 -21.589 -18.059 1.00 23.05 H new ATOM 0 HB3 GLU A 68 -29.319 -22.449 -16.611 1.00 23.05 H new ATOM 0 HG2 GLU A 68 -31.271 -23.862 -16.689 1.00 74.33 H new ATOM 0 HG3 GLU A 68 -32.007 -22.885 -17.945 1.00 74.33 H new ATOM 1073 N GLY A 69 -29.364 -20.181 -14.649 1.00 13.34 N ATOM 1074 CA GLY A 69 -28.417 -19.225 -14.104 1.00 71.52 C ATOM 1075 C GLY A 69 -27.073 -19.280 -14.802 1.00 43.03 C ATOM 1076 O GLY A 69 -26.849 -20.124 -15.671 1.00 55.41 O ATOM 0 H GLY A 69 -29.540 -20.994 -14.059 1.00 13.34 H new ATOM 0 HA2 GLY A 69 -28.828 -18.220 -14.193 1.00 71.52 H new ATOM 0 HA3 GLY A 69 -28.279 -19.420 -13.041 1.00 71.52 H new ATOM 1080 N CYS A 70 -26.174 -18.377 -14.424 1.00 32.13 N ATOM 1081 CA CYS A 70 -24.845 -18.324 -15.020 1.00 50.52 C ATOM 1082 C CYS A 70 -23.791 -18.845 -14.048 1.00 0.02 C ATOM 1083 O CYS A 70 -22.857 -19.543 -14.444 1.00 52.14 O ATOM 1084 CB CYS A 70 -24.507 -16.890 -15.436 1.00 30.34 C ATOM 1085 SG CYS A 70 -25.213 -16.395 -17.041 1.00 25.35 S ATOM 0 H CYS A 70 -26.342 -17.672 -13.707 1.00 32.13 H new ATOM 0 HA CYS A 70 -24.845 -18.962 -15.904 1.00 50.52 H new ATOM 0 HB2 CYS A 70 -24.866 -16.206 -14.667 1.00 30.34 H new ATOM 0 HB3 CYS A 70 -23.423 -16.781 -15.479 1.00 30.34 H new ATOM 1090 N ILE A 71 -23.948 -18.501 -12.774 1.00 21.41 N ATOM 1091 CA ILE A 71 -23.011 -18.936 -11.745 1.00 51.31 C ATOM 1092 C ILE A 71 -22.832 -20.450 -11.769 1.00 2.13 C ATOM 1093 O ILE A 71 -21.764 -20.965 -11.439 1.00 25.25 O ATOM 1094 CB ILE A 71 -23.478 -18.507 -10.341 1.00 60.24 C ATOM 1095 CG1 ILE A 71 -23.610 -16.985 -10.267 1.00 5.44 C ATOM 1096 CG2 ILE A 71 -22.509 -19.013 -9.283 1.00 62.25 C ATOM 1097 CD1 ILE A 71 -24.580 -16.513 -9.207 1.00 35.42 C ATOM 0 H ILE A 71 -24.715 -17.923 -12.430 1.00 21.41 H new ATOM 0 HA ILE A 71 -22.057 -18.457 -11.964 1.00 51.31 H new ATOM 0 HB ILE A 71 -24.457 -18.947 -10.149 1.00 60.24 H new ATOM 0 HG12 ILE A 71 -22.629 -16.553 -10.069 1.00 5.44 H new ATOM 0 HG13 ILE A 71 -23.934 -16.609 -11.237 1.00 5.44 H new ATOM 0 HG21 ILE A 71 -22.852 -18.702 -8.296 1.00 62.25 H new ATOM 0 HG22 ILE A 71 -22.461 -20.101 -9.324 1.00 62.25 H new ATOM 0 HG23 ILE A 71 -21.518 -18.599 -9.469 1.00 62.25 H new ATOM 0 HD11 ILE A 71 -24.623 -15.424 -9.212 1.00 35.42 H new ATOM 0 HD12 ILE A 71 -25.571 -16.916 -9.415 1.00 35.42 H new ATOM 0 HD13 ILE A 71 -24.246 -16.859 -8.229 1.00 35.42 H new ATOM 1109 N LYS A 72 -23.884 -21.159 -12.163 1.00 52.42 N ATOM 1110 CA LYS A 72 -23.844 -22.614 -12.234 1.00 20.41 C ATOM 1111 C LYS A 72 -23.239 -23.078 -13.555 1.00 71.50 C ATOM 1112 O LYS A 72 -22.443 -24.017 -13.590 1.00 33.32 O ATOM 1113 CB LYS A 72 -25.252 -23.192 -12.074 1.00 60.44 C ATOM 1114 CG LYS A 72 -25.667 -23.393 -10.627 1.00 42.01 C ATOM 1115 CD LYS A 72 -27.169 -23.247 -10.452 1.00 51.33 C ATOM 1116 CE LYS A 72 -27.920 -24.400 -11.099 1.00 75.13 C ATOM 1117 NZ LYS A 72 -27.549 -25.711 -10.498 1.00 11.21 N ATOM 0 H LYS A 72 -24.776 -20.748 -12.438 1.00 52.42 H new ATOM 0 HA LYS A 72 -23.215 -22.975 -11.420 1.00 20.41 H new ATOM 0 HB2 LYS A 72 -25.966 -22.526 -12.559 1.00 60.44 H new ATOM 0 HB3 LYS A 72 -25.304 -24.148 -12.594 1.00 60.44 H new ATOM 0 HG2 LYS A 72 -25.355 -24.382 -10.292 1.00 42.01 H new ATOM 0 HG3 LYS A 72 -25.154 -22.667 -9.996 1.00 42.01 H new ATOM 0 HD2 LYS A 72 -27.410 -23.205 -9.390 1.00 51.33 H new ATOM 0 HD3 LYS A 72 -27.498 -22.305 -10.891 1.00 51.33 H new ATOM 0 HE2 LYS A 72 -28.993 -24.241 -10.990 1.00 75.13 H new ATOM 0 HE3 LYS A 72 -27.707 -24.417 -12.168 1.00 75.13 H new ATOM 0 HZ1 LYS A 72 -28.283 -26.414 -10.719 1.00 11.21 H new ATOM 0 HZ2 LYS A 72 -26.638 -26.027 -10.889 1.00 11.21 H new ATOM 0 HZ3 LYS A 72 -27.466 -25.609 -9.466 1.00 11.21 H new ATOM 1131 N LYS A 73 -23.620 -22.414 -14.641 1.00 33.13 N ATOM 1132 CA LYS A 73 -23.114 -22.756 -15.965 1.00 0.14 C ATOM 1133 C LYS A 73 -21.604 -22.552 -16.039 1.00 31.20 C ATOM 1134 O LYS A 73 -20.867 -23.446 -16.455 1.00 23.01 O ATOM 1135 CB LYS A 73 -23.807 -21.907 -17.033 1.00 60.31 C ATOM 1136 CG LYS A 73 -25.292 -22.196 -17.170 1.00 41.23 C ATOM 1137 CD LYS A 73 -25.542 -23.611 -17.665 1.00 4.32 C ATOM 1138 CE LYS A 73 -24.948 -23.831 -19.048 1.00 1.23 C ATOM 1139 NZ LYS A 73 -25.292 -25.173 -19.592 1.00 32.51 N ATOM 0 H LYS A 73 -24.278 -21.635 -14.630 1.00 33.13 H new ATOM 0 HA LYS A 73 -23.331 -23.808 -16.149 1.00 0.14 H new ATOM 0 HB2 LYS A 73 -23.671 -20.853 -16.792 1.00 60.31 H new ATOM 0 HB3 LYS A 73 -23.322 -22.079 -17.994 1.00 60.31 H new ATOM 0 HG2 LYS A 73 -25.781 -22.055 -16.206 1.00 41.23 H new ATOM 0 HG3 LYS A 73 -25.740 -21.483 -17.862 1.00 41.23 H new ATOM 0 HD2 LYS A 73 -25.109 -24.325 -16.964 1.00 4.32 H new ATOM 0 HD3 LYS A 73 -26.615 -23.803 -17.694 1.00 4.32 H new ATOM 0 HE2 LYS A 73 -25.312 -23.060 -19.727 1.00 1.23 H new ATOM 0 HE3 LYS A 73 -23.864 -23.726 -18.999 1.00 1.23 H new ATOM 0 HZ1 LYS A 73 -24.869 -25.284 -20.535 1.00 32.51 H new ATOM 0 HZ2 LYS A 73 -24.922 -25.910 -18.958 1.00 32.51 H new ATOM 0 HZ3 LYS A 73 -26.326 -25.264 -19.663 1.00 32.51 H new ATOM 1153 N VAL A 74 -21.150 -21.371 -15.632 1.00 31.12 N ATOM 1154 CA VAL A 74 -19.728 -21.051 -15.650 1.00 23.31 C ATOM 1155 C VAL A 74 -18.925 -22.072 -14.852 1.00 23.23 C ATOM 1156 O VAL A 74 -17.938 -22.621 -15.341 1.00 43.04 O ATOM 1157 CB VAL A 74 -19.461 -19.646 -15.080 1.00 12.54 C ATOM 1158 CG1 VAL A 74 -17.972 -19.337 -15.094 1.00 2.14 C ATOM 1159 CG2 VAL A 74 -20.239 -18.598 -15.862 1.00 5.43 C ATOM 0 H VAL A 74 -21.747 -20.620 -15.286 1.00 31.12 H new ATOM 0 HA VAL A 74 -19.411 -21.078 -16.693 1.00 23.31 H new ATOM 0 HB VAL A 74 -19.802 -19.622 -14.045 1.00 12.54 H new ATOM 0 HG11 VAL A 74 -17.804 -18.340 -14.687 1.00 2.14 H new ATOM 0 HG12 VAL A 74 -17.442 -20.071 -14.486 1.00 2.14 H new ATOM 0 HG13 VAL A 74 -17.601 -19.379 -16.118 1.00 2.14 H new ATOM 0 HG21 VAL A 74 -20.039 -17.611 -15.446 1.00 5.43 H new ATOM 0 HG22 VAL A 74 -19.931 -18.621 -16.907 1.00 5.43 H new ATOM 0 HG23 VAL A 74 -21.306 -18.811 -15.794 1.00 5.43 H new ATOM 1169 N SER A 75 -19.355 -22.323 -13.619 1.00 50.33 N ATOM 1170 CA SER A 75 -18.674 -23.276 -12.751 1.00 11.22 C ATOM 1171 C SER A 75 -18.535 -24.632 -13.436 1.00 42.22 C ATOM 1172 O SER A 75 -17.508 -25.299 -13.313 1.00 22.42 O ATOM 1173 CB SER A 75 -19.437 -23.433 -11.434 1.00 22.30 C ATOM 1174 OG SER A 75 -20.013 -24.724 -11.329 1.00 51.35 O ATOM 0 H SER A 75 -20.172 -21.879 -13.199 1.00 50.33 H new ATOM 0 HA SER A 75 -17.676 -22.891 -12.541 1.00 11.22 H new ATOM 0 HB2 SER A 75 -18.761 -23.264 -10.596 1.00 22.30 H new ATOM 0 HB3 SER A 75 -20.219 -22.676 -11.371 1.00 22.30 H new ATOM 0 HG SER A 75 -20.494 -24.800 -10.478 1.00 51.35 H new ATOM 1180 N ASP A 76 -19.575 -25.032 -14.158 1.00 74.04 N ATOM 1181 CA ASP A 76 -19.570 -26.308 -14.865 1.00 53.31 C ATOM 1182 C ASP A 76 -18.319 -26.447 -15.727 1.00 10.25 C ATOM 1183 O ASP A 76 -17.572 -27.418 -15.603 1.00 22.14 O ATOM 1184 CB ASP A 76 -20.821 -26.438 -15.736 1.00 11.33 C ATOM 1185 CG ASP A 76 -21.083 -27.869 -16.163 1.00 12.44 C ATOM 1186 OD1 ASP A 76 -21.727 -28.609 -15.390 1.00 71.05 O ATOM 1187 OD2 ASP A 76 -20.644 -28.248 -17.268 1.00 63.34 O ATOM 0 H ASP A 76 -20.433 -24.491 -14.270 1.00 74.04 H new ATOM 0 HA ASP A 76 -19.569 -27.106 -14.123 1.00 53.31 H new ATOM 0 HB2 ASP A 76 -21.684 -26.062 -15.186 1.00 11.33 H new ATOM 0 HB3 ASP A 76 -20.710 -25.812 -16.622 1.00 11.33 H new ATOM 1192 N LEU A 77 -18.097 -25.471 -16.600 1.00 51.10 N ATOM 1193 CA LEU A 77 -16.936 -25.484 -17.484 1.00 34.43 C ATOM 1194 C LEU A 77 -15.670 -25.098 -16.726 1.00 33.54 C ATOM 1195 O LEU A 77 -14.562 -25.454 -17.126 1.00 71.33 O ATOM 1196 CB LEU A 77 -17.153 -24.528 -18.657 1.00 53.25 C ATOM 1197 CG LEU A 77 -16.871 -23.051 -18.381 1.00 2.34 C ATOM 1198 CD1 LEU A 77 -15.537 -22.640 -18.985 1.00 53.24 C ATOM 1199 CD2 LEU A 77 -17.995 -22.182 -18.924 1.00 55.41 C ATOM 0 H LEU A 77 -18.705 -24.660 -16.715 1.00 51.10 H new ATOM 0 HA LEU A 77 -16.813 -26.497 -17.867 1.00 34.43 H new ATOM 0 HB2 LEU A 77 -16.520 -24.850 -19.484 1.00 53.25 H new ATOM 0 HB3 LEU A 77 -18.186 -24.624 -18.991 1.00 53.25 H new ATOM 0 HG LEU A 77 -16.817 -22.907 -17.302 1.00 2.34 H new ATOM 0 HD11 LEU A 77 -15.353 -21.586 -18.778 1.00 53.24 H new ATOM 0 HD12 LEU A 77 -14.739 -23.240 -18.547 1.00 53.24 H new ATOM 0 HD13 LEU A 77 -15.561 -22.800 -20.063 1.00 53.24 H new ATOM 0 HD21 LEU A 77 -17.777 -21.134 -18.718 1.00 55.41 H new ATOM 0 HD22 LEU A 77 -18.082 -22.330 -20.000 1.00 55.41 H new ATOM 0 HD23 LEU A 77 -18.933 -22.458 -18.443 1.00 55.41 H new ATOM 1211 N SER A 78 -15.843 -24.370 -15.627 1.00 72.32 N ATOM 1212 CA SER A 78 -14.714 -23.935 -14.813 1.00 53.33 C ATOM 1213 C SER A 78 -14.043 -25.125 -14.134 1.00 13.41 C ATOM 1214 O SER A 78 -12.832 -25.126 -13.911 1.00 14.11 O ATOM 1215 CB SER A 78 -15.177 -22.926 -13.760 1.00 42.23 C ATOM 1216 OG SER A 78 -14.117 -22.068 -13.376 1.00 5.14 O ATOM 0 H SER A 78 -16.754 -24.069 -15.280 1.00 72.32 H new ATOM 0 HA SER A 78 -13.987 -23.457 -15.469 1.00 53.33 H new ATOM 0 HB2 SER A 78 -16.002 -22.335 -14.156 1.00 42.23 H new ATOM 0 HB3 SER A 78 -15.555 -23.456 -12.886 1.00 42.23 H new ATOM 0 HG SER A 78 -14.463 -21.363 -12.790 1.00 5.14 H new ATOM 1222 N LYS A 79 -14.839 -26.137 -13.807 1.00 31.02 N ATOM 1223 CA LYS A 79 -14.325 -27.335 -13.154 1.00 22.01 C ATOM 1224 C LYS A 79 -13.847 -28.354 -14.184 1.00 11.41 C ATOM 1225 O LYS A 79 -12.979 -29.178 -13.899 1.00 1.10 O ATOM 1226 CB LYS A 79 -15.403 -27.959 -12.266 1.00 32.54 C ATOM 1227 CG LYS A 79 -15.919 -27.024 -11.186 1.00 54.44 C ATOM 1228 CD LYS A 79 -14.986 -26.986 -9.988 1.00 12.21 C ATOM 1229 CE LYS A 79 -15.478 -26.011 -8.929 1.00 40.11 C ATOM 1230 NZ LYS A 79 -14.997 -24.625 -9.185 1.00 53.12 N ATOM 0 H LYS A 79 -15.843 -26.151 -13.984 1.00 31.02 H new ATOM 0 HA LYS A 79 -13.476 -27.045 -12.535 1.00 22.01 H new ATOM 0 HB2 LYS A 79 -16.238 -28.275 -12.891 1.00 32.54 H new ATOM 0 HB3 LYS A 79 -15.000 -28.856 -11.796 1.00 32.54 H new ATOM 0 HG2 LYS A 79 -16.028 -26.020 -11.595 1.00 54.44 H new ATOM 0 HG3 LYS A 79 -16.910 -27.348 -10.866 1.00 54.44 H new ATOM 0 HD2 LYS A 79 -14.906 -27.984 -9.556 1.00 12.21 H new ATOM 0 HD3 LYS A 79 -13.986 -26.698 -10.313 1.00 12.21 H new ATOM 0 HE2 LYS A 79 -16.568 -26.019 -8.906 1.00 40.11 H new ATOM 0 HE3 LYS A 79 -15.136 -26.338 -7.947 1.00 40.11 H new ATOM 0 HZ1 LYS A 79 -15.354 -23.991 -8.442 1.00 53.12 H new ATOM 0 HZ2 LYS A 79 -13.957 -24.612 -9.182 1.00 53.12 H new ATOM 0 HZ3 LYS A 79 -15.344 -24.303 -10.111 1.00 53.12 H new ATOM 1244 N ALA A 80 -14.419 -28.290 -15.382 1.00 2.41 N ATOM 1245 CA ALA A 80 -14.048 -29.204 -16.455 1.00 35.01 C ATOM 1246 C ALA A 80 -12.539 -29.216 -16.670 1.00 2.33 C ATOM 1247 O ALA A 80 -11.900 -28.164 -16.719 1.00 14.31 O ATOM 1248 CB ALA A 80 -14.764 -28.824 -17.743 1.00 2.22 C ATOM 0 H ALA A 80 -15.141 -27.615 -15.634 1.00 2.41 H new ATOM 0 HA ALA A 80 -14.354 -30.209 -16.164 1.00 35.01 H new ATOM 0 HB1 ALA A 80 -14.478 -29.515 -18.536 1.00 2.22 H new ATOM 0 HB2 ALA A 80 -15.842 -28.875 -17.589 1.00 2.22 H new ATOM 0 HB3 ALA A 80 -14.486 -27.809 -18.028 1.00 2.22 H new ATOM 1254 N HIS A 81 -11.973 -30.412 -16.796 1.00 41.24 N ATOM 1255 CA HIS A 81 -10.537 -30.560 -17.006 1.00 0.22 C ATOM 1256 C HIS A 81 -10.253 -31.396 -18.250 1.00 42.32 C ATOM 1257 O HIS A 81 -9.717 -30.893 -19.238 1.00 42.42 O ATOM 1258 CB HIS A 81 -9.886 -31.207 -15.783 1.00 41.20 C ATOM 1259 CG HIS A 81 -8.493 -30.724 -15.521 1.00 25.23 C ATOM 1260 ND1 HIS A 81 -7.715 -30.111 -16.481 1.00 31.44 N ATOM 1261 CD2 HIS A 81 -7.738 -30.766 -14.398 1.00 0.43 C ATOM 1262 CE1 HIS A 81 -6.542 -29.798 -15.960 1.00 30.30 C ATOM 1263 NE2 HIS A 81 -6.530 -30.184 -14.697 1.00 34.12 N ATOM 0 H HIS A 81 -12.486 -31.292 -16.756 1.00 41.24 H new ATOM 0 HA HIS A 81 -10.112 -29.567 -17.152 1.00 0.22 H new ATOM 0 HB2 HIS A 81 -10.502 -31.008 -14.906 1.00 41.20 H new ATOM 0 HB3 HIS A 81 -9.867 -32.288 -15.921 1.00 41.20 H new ATOM 0 HD2 HIS A 81 -8.031 -31.180 -13.444 1.00 0.43 H new ATOM 0 HE1 HIS A 81 -5.731 -29.309 -16.479 1.00 30.30 H new ATOM 0 HE2 HIS A 81 -5.751 -30.069 -14.049 1.00 34.12 H new TER 1272 HIS A 81