USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 TYR OH : rot 180:sc= 0.613 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -152:sc= 0.664 (180deg=0) USER MOD Set 2.1: A 39 MET CE :methyl -165:sc= -0.593 (180deg=-1.29) USER MOD Set 2.2: A 50 TYR OH : rot 165:sc= 0 USER MOD Set 3.1: A 35 TYR OH : rot 178:sc= 0.417 USER MOD Set 3.2: A 59 THR OG1 : rot 118:sc= 1.83 USER MOD Set 3.3: A 61 SER OG : rot 180:sc= 1.06 USER MOD Set 3.4: A 63 GLN : amide:sc= 2.11 K(o=5.4,f=-0.12) USER MOD Set 4.1: A 12 ASN :FLIP amide:sc= -2.48! C(o=-3.1!,f=-2.5!) USER MOD Set 4.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0163 (180deg=-0.183) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.087 K(o=0.087,f=-5.2!) USER MOD Single : A 8 GLN : amide:sc= -0.621 K(o=-0.62,f=-3.2!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 100:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 19 THR OG1 : rot 108:sc= -0.133 USER MOD Single : A 24 SER OG : rot 22:sc= 0.375 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -1.19 USER MOD Single : A 32 ASN : amide:sc= -0.36 K(o=-0.36,f=-1.5) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc=-0.000692 (180deg=-0.0883) USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -0.0198 (180deg=-0.201) USER MOD Single : A 46 THR OG1 : rot -82:sc= -0.925 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -158:sc= 1.58 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.1 K(o=1.1,f=-0.85) USER MOD Single : A 69 TYR OH : rot -80:sc= -0.266 USER MOD Single : A 70 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.5!) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0.687 (180deg=0.334) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 1.18 K(o=1.2,f=-4.1!) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0428 X(o=-0.043,f=0.0039) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.815 3.486 -14.536 1.00 0.00 N ATOM 2 CA MET A 1 9.839 4.171 -15.361 1.00 0.00 C ATOM 3 C MET A 1 11.107 4.407 -14.548 1.00 0.00 C ATOM 4 O MET A 1 12.127 3.745 -14.759 1.00 0.00 O ATOM 5 CB MET A 1 9.305 5.512 -15.877 1.00 0.00 C ATOM 6 CG MET A 1 8.086 5.392 -16.776 1.00 0.00 C ATOM 7 SD MET A 1 7.463 6.998 -17.307 1.00 0.00 S ATOM 8 CE MET A 1 6.035 6.495 -18.263 1.00 0.00 C ATOM 0 H1 MET A 1 8.043 3.151 -15.148 1.00 0.00 H new ATOM 0 H2 MET A 1 9.247 2.675 -14.049 1.00 0.00 H new ATOM 0 H3 MET A 1 8.435 4.150 -13.832 1.00 0.00 H new ATOM 0 HA MET A 1 10.073 3.530 -16.211 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.053 6.142 -15.024 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.099 6.020 -16.425 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.342 4.797 -17.653 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.298 4.857 -16.246 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.536 7.377 -18.663 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.355 5.855 -19.085 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.344 5.946 -17.623 1.00 0.00 H new ATOM 20 N ASP A 2 11.033 5.340 -13.605 1.00 0.00 N ATOM 21 CA ASP A 2 12.181 5.699 -12.779 1.00 0.00 C ATOM 22 C ASP A 2 11.864 5.509 -11.304 1.00 0.00 C ATOM 23 O ASP A 2 10.756 5.104 -10.946 1.00 0.00 O ATOM 24 CB ASP A 2 12.601 7.149 -13.032 1.00 0.00 C ATOM 25 CG ASP A 2 13.330 7.329 -14.346 1.00 0.00 C ATOM 26 OD1 ASP A 2 14.558 7.090 -14.387 1.00 0.00 O ATOM 27 OD2 ASP A 2 12.690 7.716 -15.343 1.00 0.00 O ATOM 0 H ASP A 2 10.184 5.865 -13.393 1.00 0.00 H new ATOM 0 HA ASP A 2 13.005 5.040 -13.052 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.716 7.785 -13.023 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.243 7.484 -12.217 1.00 0.00 H new ATOM 32 N PHE A 3 12.836 5.811 -10.456 1.00 0.00 N ATOM 33 CA PHE A 3 12.667 5.663 -9.017 1.00 0.00 C ATOM 34 C PHE A 3 12.592 7.030 -8.348 1.00 0.00 C ATOM 35 O PHE A 3 13.095 8.015 -8.885 1.00 0.00 O ATOM 36 CB PHE A 3 13.825 4.854 -8.424 1.00 0.00 C ATOM 37 CG PHE A 3 13.946 3.465 -8.985 1.00 0.00 C ATOM 38 CD1 PHE A 3 13.188 2.426 -8.471 1.00 0.00 C ATOM 39 CD2 PHE A 3 14.821 3.199 -10.025 1.00 0.00 C ATOM 40 CE1 PHE A 3 13.299 1.148 -8.983 1.00 0.00 C ATOM 41 CE2 PHE A 3 14.938 1.923 -10.542 1.00 0.00 C ATOM 42 CZ PHE A 3 14.176 0.895 -10.019 1.00 0.00 C ATOM 0 H PHE A 3 13.751 6.161 -10.739 1.00 0.00 H new ATOM 0 HA PHE A 3 11.734 5.129 -8.833 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.758 5.390 -8.601 1.00 0.00 H new ATOM 0 HB3 PHE A 3 13.695 4.789 -7.344 1.00 0.00 H new ATOM 0 HD1 PHE A 3 12.501 2.618 -7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 3 15.419 3.998 -10.437 1.00 0.00 H new ATOM 0 HE1 PHE A 3 12.701 0.348 -8.574 1.00 0.00 H new ATOM 0 HE2 PHE A 3 15.624 1.729 -11.353 1.00 0.00 H new ATOM 0 HZ PHE A 3 14.266 -0.104 -10.420 1.00 0.00 H new ATOM 52 N GLY A 4 11.960 7.083 -7.183 1.00 0.00 N ATOM 53 CA GLY A 4 11.828 8.336 -6.469 1.00 0.00 C ATOM 54 C GLY A 4 12.888 8.502 -5.398 1.00 0.00 C ATOM 55 O GLY A 4 14.022 8.877 -5.694 1.00 0.00 O ATOM 0 H GLY A 4 11.536 6.279 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.896 9.163 -7.176 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.840 8.388 -6.011 1.00 0.00 H new ATOM 59 N LYS A 5 12.522 8.219 -4.157 1.00 0.00 N ATOM 60 CA LYS A 5 13.449 8.331 -3.038 1.00 0.00 C ATOM 61 C LYS A 5 13.481 7.039 -2.226 1.00 0.00 C ATOM 62 O LYS A 5 12.518 6.274 -2.233 1.00 0.00 O ATOM 63 CB LYS A 5 13.070 9.508 -2.132 1.00 0.00 C ATOM 64 CG LYS A 5 13.438 10.870 -2.703 1.00 0.00 C ATOM 65 CD LYS A 5 13.279 11.967 -1.661 1.00 0.00 C ATOM 66 CE LYS A 5 13.882 13.284 -2.131 1.00 0.00 C ATOM 67 NZ LYS A 5 13.127 13.881 -3.263 1.00 0.00 N ATOM 0 H LYS A 5 11.586 7.909 -3.897 1.00 0.00 H new ATOM 0 HA LYS A 5 14.443 8.510 -3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.996 9.481 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.562 9.384 -1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.468 10.851 -3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.806 11.089 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.221 12.109 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.759 11.658 -0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.902 13.988 -1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.916 13.119 -2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.576 14.775 -3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.129 13.222 -4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.147 14.064 -2.968 1.00 0.00 H new ATOM 81 N PRO A 6 14.596 6.777 -1.520 1.00 0.00 N ATOM 82 CA PRO A 6 14.759 5.565 -0.706 1.00 0.00 C ATOM 83 C PRO A 6 13.778 5.503 0.462 1.00 0.00 C ATOM 84 O PRO A 6 13.370 4.423 0.878 1.00 0.00 O ATOM 85 CB PRO A 6 16.200 5.665 -0.182 1.00 0.00 C ATOM 86 CG PRO A 6 16.868 6.668 -1.059 1.00 0.00 C ATOM 87 CD PRO A 6 15.795 7.628 -1.474 1.00 0.00 C ATOM 0 HA PRO A 6 14.564 4.666 -1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.218 5.980 0.861 1.00 0.00 H new ATOM 0 HB3 PRO A 6 16.705 4.700 -0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.668 7.182 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 6 17.320 6.188 -1.927 1.00 0.00 H new ATOM 0 HD2 PRO A 6 15.684 8.444 -0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.008 8.079 -2.443 1.00 0.00 H new ATOM 95 N ASN A 7 13.391 6.660 0.980 1.00 0.00 N ATOM 96 CA ASN A 7 12.487 6.720 2.128 1.00 0.00 C ATOM 97 C ASN A 7 11.035 6.850 1.675 1.00 0.00 C ATOM 98 O ASN A 7 10.155 7.184 2.467 1.00 0.00 O ATOM 99 CB ASN A 7 12.848 7.892 3.050 1.00 0.00 C ATOM 100 CG ASN A 7 12.663 9.251 2.392 1.00 0.00 C ATOM 101 OD1 ASN A 7 12.893 9.419 1.195 1.00 0.00 O ATOM 102 ND2 ASN A 7 12.229 10.229 3.174 1.00 0.00 N ATOM 0 H ASN A 7 13.686 7.570 0.627 1.00 0.00 H new ATOM 0 HA ASN A 7 12.600 5.788 2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 7 12.231 7.843 3.947 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.885 7.788 3.370 1.00 0.00 H new ATOM 0 HD21 ASN A 7 12.074 11.160 2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.050 10.050 4.162 1.00 0.00 H new ATOM 109 N GLN A 8 10.794 6.577 0.403 1.00 0.00 N ATOM 110 CA GLN A 8 9.456 6.675 -0.155 1.00 0.00 C ATOM 111 C GLN A 8 8.748 5.327 -0.059 1.00 0.00 C ATOM 112 O GLN A 8 9.174 4.341 -0.665 1.00 0.00 O ATOM 113 CB GLN A 8 9.537 7.148 -1.608 1.00 0.00 C ATOM 114 CG GLN A 8 8.189 7.443 -2.242 1.00 0.00 C ATOM 115 CD GLN A 8 8.323 8.081 -3.613 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.280 7.823 -4.344 1.00 0.00 O ATOM 117 NE2 GLN A 8 7.372 8.931 -3.963 1.00 0.00 N ATOM 0 H GLN A 8 11.509 6.285 -0.263 1.00 0.00 H new ATOM 0 HA GLN A 8 8.878 7.403 0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.151 8.047 -1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.045 6.386 -2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.621 6.517 -2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.621 8.106 -1.590 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.596 9.117 -3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.415 9.400 -4.868 1.00 0.00 H new ATOM 126 N VAL A 9 7.671 5.287 0.713 1.00 0.00 N ATOM 127 CA VAL A 9 6.920 4.058 0.904 1.00 0.00 C ATOM 128 C VAL A 9 5.871 3.907 -0.191 1.00 0.00 C ATOM 129 O VAL A 9 5.121 4.834 -0.485 1.00 0.00 O ATOM 130 CB VAL A 9 6.238 4.030 2.293 1.00 0.00 C ATOM 131 CG1 VAL A 9 5.380 2.787 2.459 1.00 0.00 C ATOM 132 CG2 VAL A 9 7.282 4.101 3.394 1.00 0.00 C ATOM 0 H VAL A 9 7.299 6.092 1.216 1.00 0.00 H new ATOM 0 HA VAL A 9 7.620 3.224 0.850 1.00 0.00 H new ATOM 0 HB VAL A 9 5.587 4.901 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.914 2.795 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.606 2.774 1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.004 1.899 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.788 4.080 4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.956 3.249 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.852 5.025 3.296 1.00 0.00 H new ATOM 142 N THR A 10 5.837 2.736 -0.802 1.00 0.00 N ATOM 143 CA THR A 10 4.942 2.486 -1.912 1.00 0.00 C ATOM 144 C THR A 10 3.778 1.599 -1.481 1.00 0.00 C ATOM 145 O THR A 10 3.936 0.391 -1.312 1.00 0.00 O ATOM 146 CB THR A 10 5.697 1.812 -3.074 1.00 0.00 C ATOM 147 OG1 THR A 10 6.934 2.497 -3.305 1.00 0.00 O ATOM 148 CG2 THR A 10 4.863 1.824 -4.348 1.00 0.00 C ATOM 0 H THR A 10 6.423 1.941 -0.545 1.00 0.00 H new ATOM 0 HA THR A 10 4.550 3.446 -2.247 1.00 0.00 H new ATOM 0 HB THR A 10 5.893 0.775 -2.800 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.414 2.066 -4.043 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.420 1.342 -5.152 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.931 1.285 -4.178 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.640 2.854 -4.627 1.00 0.00 H new ATOM 156 N VAL A 11 2.621 2.208 -1.272 1.00 0.00 N ATOM 157 CA VAL A 11 1.426 1.459 -0.919 1.00 0.00 C ATOM 158 C VAL A 11 0.714 1.008 -2.188 1.00 0.00 C ATOM 159 O VAL A 11 0.349 1.831 -3.034 1.00 0.00 O ATOM 160 CB VAL A 11 0.463 2.296 -0.049 1.00 0.00 C ATOM 161 CG1 VAL A 11 -0.767 1.487 0.328 1.00 0.00 C ATOM 162 CG2 VAL A 11 1.173 2.804 1.197 1.00 0.00 C ATOM 0 H VAL A 11 2.485 3.217 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 11 1.733 0.591 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 11 0.137 3.156 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.430 2.098 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.291 1.178 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.463 0.604 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.479 3.392 1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.532 1.957 1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.018 3.428 0.905 1.00 0.00 H new ATOM 172 N ASN A 12 0.533 -0.292 -2.330 1.00 0.00 N ATOM 173 CA ASN A 12 -0.039 -0.852 -3.538 1.00 0.00 C ATOM 174 C ASN A 12 -1.274 -1.680 -3.199 1.00 0.00 C ATOM 175 O ASN A 12 -1.198 -2.649 -2.441 1.00 0.00 O ATOM 176 CB ASN A 12 1.019 -1.699 -4.249 1.00 0.00 C ATOM 177 CG ASN A 12 0.576 -2.206 -5.606 1.00 0.00 C ATOM 178 OD1 ASN A 12 1.189 -3.292 -6.049 1.00 0.00 O flip ATOM 179 ND2 ASN A 12 -0.286 -1.618 -6.261 1.00 0.00 N flip ATOM 0 H ASN A 12 0.776 -0.982 -1.619 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.351 -0.050 -4.206 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.926 -1.107 -4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.276 -2.550 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.734 -0.784 -5.882 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.552 -1.965 -7.182 1.00 0.00 H new ATOM 186 N TYR A 13 -2.412 -1.277 -3.750 1.00 0.00 N ATOM 187 CA TYR A 13 -3.682 -1.932 -3.467 1.00 0.00 C ATOM 188 C TYR A 13 -3.940 -3.049 -4.472 1.00 0.00 C ATOM 189 O TYR A 13 -4.199 -2.796 -5.655 1.00 0.00 O ATOM 190 CB TYR A 13 -4.820 -0.912 -3.490 1.00 0.00 C ATOM 191 CG TYR A 13 -4.653 0.210 -2.484 1.00 0.00 C ATOM 192 CD1 TYR A 13 -4.728 -0.038 -1.120 1.00 0.00 C ATOM 193 CD2 TYR A 13 -4.432 1.519 -2.899 1.00 0.00 C ATOM 194 CE1 TYR A 13 -4.593 0.982 -0.199 1.00 0.00 C ATOM 195 CE2 TYR A 13 -4.291 2.544 -1.982 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.372 2.270 -0.635 1.00 0.00 C ATOM 197 OH TYR A 13 -4.239 3.291 0.279 1.00 0.00 O ATOM 0 H TYR A 13 -2.481 -0.494 -4.400 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.634 -2.373 -2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.892 -0.484 -4.490 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.761 -1.426 -3.295 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.895 -1.047 -0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.370 1.738 -3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.660 0.771 0.858 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.118 3.555 -2.321 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.289 3.494 0.407 1.00 0.00 H new ATOM 207 N LEU A 14 -3.876 -4.283 -3.991 1.00 0.00 N ATOM 208 CA LEU A 14 -3.911 -5.448 -4.860 1.00 0.00 C ATOM 209 C LEU A 14 -5.209 -6.236 -4.736 1.00 0.00 C ATOM 210 O LEU A 14 -6.112 -5.880 -3.979 1.00 0.00 O ATOM 211 CB LEU A 14 -2.734 -6.374 -4.551 1.00 0.00 C ATOM 212 CG LEU A 14 -1.354 -5.773 -4.794 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.272 -6.811 -4.553 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.264 -5.221 -6.206 1.00 0.00 C ATOM 0 H LEU A 14 -3.799 -4.502 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.844 -5.075 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.800 -6.683 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.832 -7.275 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.201 -4.953 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.706 -6.365 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.328 -7.163 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.416 -7.651 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.274 -4.795 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.434 -6.025 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.019 -4.447 -6.343 1.00 0.00 H new ATOM 226 N ASP A 15 -5.248 -7.325 -5.488 1.00 0.00 N ATOM 227 CA ASP A 15 -6.388 -8.227 -5.557 1.00 0.00 C ATOM 228 C ASP A 15 -5.862 -9.668 -5.550 1.00 0.00 C ATOM 229 O ASP A 15 -4.648 -9.878 -5.534 1.00 0.00 O ATOM 230 CB ASP A 15 -7.202 -7.902 -6.833 1.00 0.00 C ATOM 231 CG ASP A 15 -8.071 -9.040 -7.344 1.00 0.00 C ATOM 232 OD1 ASP A 15 -8.992 -9.474 -6.621 1.00 0.00 O ATOM 233 OD2 ASP A 15 -7.816 -9.515 -8.475 1.00 0.00 O ATOM 0 H ASP A 15 -4.470 -7.613 -6.081 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.053 -8.106 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.838 -7.040 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.510 -7.609 -7.623 1.00 0.00 H new ATOM 238 N GLU A 16 -6.751 -10.647 -5.551 1.00 0.00 N ATOM 239 CA GLU A 16 -6.361 -12.055 -5.571 1.00 0.00 C ATOM 240 C GLU A 16 -5.666 -12.392 -6.883 1.00 0.00 C ATOM 241 O GLU A 16 -4.746 -13.208 -6.925 1.00 0.00 O ATOM 242 CB GLU A 16 -7.578 -12.960 -5.397 1.00 0.00 C ATOM 243 CG GLU A 16 -8.321 -12.754 -4.093 1.00 0.00 C ATOM 244 CD GLU A 16 -9.426 -13.769 -3.918 1.00 0.00 C ATOM 245 OE1 GLU A 16 -10.539 -13.534 -4.435 1.00 0.00 O ATOM 246 OE2 GLU A 16 -9.176 -14.820 -3.291 1.00 0.00 O ATOM 0 H GLU A 16 -7.759 -10.494 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.674 -12.224 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.266 -12.789 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.256 -14.000 -5.459 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.622 -12.828 -3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.742 -11.749 -4.068 1.00 0.00 H new ATOM 253 N ASN A 17 -6.107 -11.742 -7.957 1.00 0.00 N ATOM 254 CA ASN A 17 -5.460 -11.877 -9.259 1.00 0.00 C ATOM 255 C ASN A 17 -4.274 -10.924 -9.315 1.00 0.00 C ATOM 256 O ASN A 17 -3.650 -10.739 -10.359 1.00 0.00 O ATOM 257 CB ASN A 17 -6.434 -11.553 -10.401 1.00 0.00 C ATOM 258 CG ASN A 17 -7.706 -12.383 -10.360 1.00 0.00 C ATOM 259 OD1 ASN A 17 -7.773 -13.473 -10.930 1.00 0.00 O ATOM 260 ND2 ASN A 17 -8.732 -11.862 -9.698 1.00 0.00 N ATOM 0 H ASN A 17 -6.912 -11.115 -7.951 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.129 -12.908 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.697 -10.496 -10.356 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.932 -11.717 -11.355 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.616 -12.368 -9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.636 -10.956 -9.239 1.00 0.00 H new ATOM 267 N ASN A 18 -3.984 -10.331 -8.159 1.00 0.00 N ATOM 268 CA ASN A 18 -2.940 -9.325 -8.002 1.00 0.00 C ATOM 269 C ASN A 18 -3.215 -8.116 -8.883 1.00 0.00 C ATOM 270 O ASN A 18 -2.295 -7.427 -9.332 1.00 0.00 O ATOM 271 CB ASN A 18 -1.547 -9.898 -8.292 1.00 0.00 C ATOM 272 CG ASN A 18 -1.044 -10.805 -7.184 1.00 0.00 C ATOM 273 OD1 ASN A 18 -0.445 -10.340 -6.215 1.00 0.00 O ATOM 274 ND2 ASN A 18 -1.273 -12.101 -7.321 1.00 0.00 N ATOM 0 H ASN A 18 -4.477 -10.541 -7.291 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.954 -9.006 -6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.576 -10.456 -9.228 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.843 -9.078 -8.432 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.949 -12.754 -6.608 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.774 -12.447 -8.140 1.00 0.00 H new ATOM 281 N THR A 19 -4.490 -7.855 -9.104 1.00 0.00 N ATOM 282 CA THR A 19 -4.917 -6.723 -9.899 1.00 0.00 C ATOM 283 C THR A 19 -4.774 -5.433 -9.099 1.00 0.00 C ATOM 284 O THR A 19 -5.248 -5.347 -7.967 1.00 0.00 O ATOM 285 CB THR A 19 -6.388 -6.891 -10.328 1.00 0.00 C ATOM 286 OG1 THR A 19 -6.636 -8.255 -10.703 1.00 0.00 O ATOM 287 CG2 THR A 19 -6.723 -5.972 -11.494 1.00 0.00 C ATOM 0 H THR A 19 -5.255 -8.421 -8.738 1.00 0.00 H new ATOM 0 HA THR A 19 -4.286 -6.673 -10.786 1.00 0.00 H new ATOM 0 HB THR A 19 -7.022 -6.624 -9.483 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.187 -8.688 -10.018 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.766 -6.110 -11.778 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.561 -4.935 -11.198 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.082 -6.212 -12.342 1.00 0.00 H new ATOM 295 N SER A 20 -4.095 -4.448 -9.668 1.00 0.00 N ATOM 296 CA SER A 20 -4.014 -3.138 -9.048 1.00 0.00 C ATOM 297 C SER A 20 -5.363 -2.438 -9.175 1.00 0.00 C ATOM 298 O SER A 20 -5.674 -1.844 -10.207 1.00 0.00 O ATOM 299 CB SER A 20 -2.904 -2.307 -9.697 1.00 0.00 C ATOM 300 OG SER A 20 -1.649 -2.965 -9.586 1.00 0.00 O ATOM 0 H SER A 20 -3.595 -4.532 -10.553 1.00 0.00 H new ATOM 0 HA SER A 20 -3.771 -3.250 -7.991 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.138 -2.137 -10.748 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.850 -1.329 -9.220 1.00 0.00 H new ATOM 0 HG SER A 20 -0.954 -2.418 -10.008 1.00 0.00 H new ATOM 306 N ILE A 21 -6.171 -2.547 -8.131 1.00 0.00 N ATOM 307 CA ILE A 21 -7.542 -2.053 -8.168 1.00 0.00 C ATOM 308 C ILE A 21 -7.602 -0.556 -7.898 1.00 0.00 C ATOM 309 O ILE A 21 -8.570 0.113 -8.263 1.00 0.00 O ATOM 310 CB ILE A 21 -8.431 -2.800 -7.153 1.00 0.00 C ATOM 311 CG1 ILE A 21 -7.808 -2.745 -5.754 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.637 -4.241 -7.597 1.00 0.00 C ATOM 313 CD1 ILE A 21 -8.621 -3.454 -4.695 1.00 0.00 C ATOM 0 H ILE A 21 -5.901 -2.974 -7.245 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.921 -2.240 -9.173 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.404 -2.310 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.813 -3.188 -5.792 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.681 -1.702 -5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.266 -4.758 -6.873 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.121 -4.255 -8.574 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.672 -4.743 -7.663 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.116 -3.371 -3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.608 -2.997 -4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.726 -4.506 -4.961 1.00 0.00 H new ATOM 325 N ALA A 22 -6.567 -0.041 -7.257 1.00 0.00 N ATOM 326 CA ALA A 22 -6.468 1.378 -6.979 1.00 0.00 C ATOM 327 C ALA A 22 -5.061 1.869 -7.286 1.00 0.00 C ATOM 328 O ALA A 22 -4.101 1.106 -7.161 1.00 0.00 O ATOM 329 CB ALA A 22 -6.831 1.664 -5.528 1.00 0.00 C ATOM 0 H ALA A 22 -5.778 -0.591 -6.918 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.173 1.912 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.751 2.734 -5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.853 1.337 -5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.149 1.126 -4.870 1.00 0.00 H new ATOM 335 N PRO A 23 -4.921 3.136 -7.713 1.00 0.00 N ATOM 336 CA PRO A 23 -3.614 3.734 -7.991 1.00 0.00 C ATOM 337 C PRO A 23 -2.688 3.648 -6.783 1.00 0.00 C ATOM 338 O PRO A 23 -3.133 3.782 -5.639 1.00 0.00 O ATOM 339 CB PRO A 23 -3.933 5.200 -8.317 1.00 0.00 C ATOM 340 CG PRO A 23 -5.334 5.416 -7.853 1.00 0.00 C ATOM 341 CD PRO A 23 -6.017 4.084 -7.960 1.00 0.00 C ATOM 0 HA PRO A 23 -3.096 3.219 -8.800 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.243 5.874 -7.809 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.839 5.394 -9.386 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.353 5.782 -6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.837 6.163 -8.467 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.816 3.979 -7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.465 3.937 -8.943 1.00 0.00 H new ATOM 349 N SER A 24 -1.410 3.412 -7.043 1.00 0.00 N ATOM 350 CA SER A 24 -0.428 3.267 -5.981 1.00 0.00 C ATOM 351 C SER A 24 -0.343 4.545 -5.152 1.00 0.00 C ATOM 352 O SER A 24 -0.289 5.652 -5.691 1.00 0.00 O ATOM 353 CB SER A 24 0.944 2.921 -6.566 1.00 0.00 C ATOM 354 OG SER A 24 1.878 2.616 -5.544 1.00 0.00 O ATOM 0 H SER A 24 -1.029 3.317 -7.984 1.00 0.00 H new ATOM 0 HA SER A 24 -0.744 2.453 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.850 2.070 -7.241 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.311 3.759 -7.159 1.00 0.00 H new ATOM 0 HG SER A 24 1.399 2.347 -4.732 1.00 0.00 H new ATOM 360 N LEU A 25 -0.354 4.379 -3.843 1.00 0.00 N ATOM 361 CA LEU A 25 -0.280 5.502 -2.933 1.00 0.00 C ATOM 362 C LEU A 25 1.146 5.659 -2.426 1.00 0.00 C ATOM 363 O LEU A 25 1.625 4.859 -1.621 1.00 0.00 O ATOM 364 CB LEU A 25 -1.248 5.291 -1.762 1.00 0.00 C ATOM 365 CG LEU A 25 -1.237 6.382 -0.688 1.00 0.00 C ATOM 366 CD1 LEU A 25 -1.647 7.724 -1.274 1.00 0.00 C ATOM 367 CD2 LEU A 25 -2.159 5.994 0.460 1.00 0.00 C ATOM 0 H LEU A 25 -0.414 3.469 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.567 6.413 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.259 5.209 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.014 4.338 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.221 6.480 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.631 8.483 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.951 8.004 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.653 7.649 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.144 6.776 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.175 5.871 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.819 5.056 0.899 1.00 0.00 H new ATOM 379 N TYR A 26 1.827 6.676 -2.922 1.00 0.00 N ATOM 380 CA TYR A 26 3.189 6.950 -2.500 1.00 0.00 C ATOM 381 C TYR A 26 3.178 7.703 -1.180 1.00 0.00 C ATOM 382 O TYR A 26 2.760 8.859 -1.113 1.00 0.00 O ATOM 383 CB TYR A 26 3.935 7.745 -3.571 1.00 0.00 C ATOM 384 CG TYR A 26 4.119 6.986 -4.868 1.00 0.00 C ATOM 385 CD1 TYR A 26 5.232 6.180 -5.072 1.00 0.00 C ATOM 386 CD2 TYR A 26 3.177 7.072 -5.886 1.00 0.00 C ATOM 387 CE1 TYR A 26 5.404 5.485 -6.254 1.00 0.00 C ATOM 388 CE2 TYR A 26 3.343 6.379 -7.071 1.00 0.00 C ATOM 389 CZ TYR A 26 4.456 5.587 -7.249 1.00 0.00 C ATOM 390 OH TYR A 26 4.624 4.898 -8.430 1.00 0.00 O ATOM 0 H TYR A 26 1.460 7.326 -3.617 1.00 0.00 H new ATOM 0 HA TYR A 26 3.712 6.004 -2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.390 8.667 -3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.913 8.031 -3.185 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.976 6.095 -4.293 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.302 7.690 -5.750 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.277 4.865 -6.397 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.603 6.458 -7.854 1.00 0.00 H new ATOM 0 HH TYR A 26 3.866 5.078 -9.024 1.00 0.00 H new ATOM 400 N LEU A 27 3.615 7.030 -0.135 1.00 0.00 N ATOM 401 CA LEU A 27 3.606 7.587 1.203 1.00 0.00 C ATOM 402 C LEU A 27 5.016 8.002 1.604 1.00 0.00 C ATOM 403 O LEU A 27 5.820 7.176 2.039 1.00 0.00 O ATOM 404 CB LEU A 27 3.042 6.555 2.189 1.00 0.00 C ATOM 405 CG LEU A 27 2.930 7.009 3.649 1.00 0.00 C ATOM 406 CD1 LEU A 27 1.955 8.167 3.788 1.00 0.00 C ATOM 407 CD2 LEU A 27 2.500 5.847 4.527 1.00 0.00 C ATOM 0 H LEU A 27 3.986 6.082 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 27 2.970 8.472 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.051 6.258 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.672 5.666 2.153 1.00 0.00 H new ATOM 0 HG LEU A 27 3.911 7.354 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.895 8.469 4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.301 9.008 3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.969 7.856 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.424 6.181 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.530 5.478 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.237 5.047 4.458 1.00 0.00 H new ATOM 419 N SER A 28 5.324 9.272 1.413 1.00 0.00 N ATOM 420 CA SER A 28 6.616 9.807 1.797 1.00 0.00 C ATOM 421 C SER A 28 6.491 10.586 3.103 1.00 0.00 C ATOM 422 O SER A 28 5.460 11.209 3.367 1.00 0.00 O ATOM 423 CB SER A 28 7.165 10.712 0.692 1.00 0.00 C ATOM 424 OG SER A 28 7.275 10.009 -0.535 1.00 0.00 O ATOM 0 H SER A 28 4.693 9.954 0.992 1.00 0.00 H new ATOM 0 HA SER A 28 7.309 8.979 1.945 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.510 11.573 0.564 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.143 11.096 0.984 1.00 0.00 H new ATOM 0 HG SER A 28 7.626 10.609 -1.226 1.00 0.00 H new ATOM 430 N GLY A 29 7.531 10.536 3.917 1.00 0.00 N ATOM 431 CA GLY A 29 7.515 11.231 5.185 1.00 0.00 C ATOM 432 C GLY A 29 8.910 11.477 5.704 1.00 0.00 C ATOM 433 O GLY A 29 9.872 11.471 4.934 1.00 0.00 O ATOM 0 H GLY A 29 8.391 10.024 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.996 12.183 5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.954 10.646 5.914 1.00 0.00 H new ATOM 437 N LEU A 30 9.029 11.676 7.006 1.00 0.00 N ATOM 438 CA LEU A 30 10.320 11.935 7.616 1.00 0.00 C ATOM 439 C LEU A 30 11.069 10.627 7.823 1.00 0.00 C ATOM 440 O LEU A 30 10.471 9.606 8.148 1.00 0.00 O ATOM 441 CB LEU A 30 10.139 12.663 8.951 1.00 0.00 C ATOM 442 CG LEU A 30 11.432 12.989 9.702 1.00 0.00 C ATOM 443 CD1 LEU A 30 12.319 13.904 8.874 1.00 0.00 C ATOM 444 CD2 LEU A 30 11.113 13.626 11.043 1.00 0.00 C ATOM 0 H LEU A 30 8.246 11.663 7.660 1.00 0.00 H new ATOM 0 HA LEU A 30 10.903 12.572 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.601 13.593 8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.508 12.051 9.596 1.00 0.00 H new ATOM 0 HG LEU A 30 11.974 12.060 9.877 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.233 14.123 9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.572 13.413 7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.789 14.834 8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.041 13.853 11.568 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.551 14.546 10.884 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.518 12.936 11.641 1.00 0.00 H new ATOM 456 N PHE A 31 12.373 10.652 7.615 1.00 0.00 N ATOM 457 CA PHE A 31 13.186 9.467 7.820 1.00 0.00 C ATOM 458 C PHE A 31 13.147 9.052 9.289 1.00 0.00 C ATOM 459 O PHE A 31 13.244 9.903 10.175 1.00 0.00 O ATOM 460 CB PHE A 31 14.627 9.727 7.377 1.00 0.00 C ATOM 461 CG PHE A 31 15.500 8.510 7.455 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.443 7.544 6.468 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.372 8.330 8.515 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.239 6.420 6.536 1.00 0.00 C ATOM 465 CE2 PHE A 31 17.170 7.207 8.589 1.00 0.00 C ATOM 466 CZ PHE A 31 17.104 6.250 7.598 1.00 0.00 C ATOM 0 H PHE A 31 12.890 11.475 7.306 1.00 0.00 H new ATOM 0 HA PHE A 31 12.781 8.655 7.216 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.623 10.098 6.352 1.00 0.00 H new ATOM 0 HB3 PHE A 31 15.055 10.513 7.999 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.768 7.671 5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.428 9.077 9.293 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.186 5.673 5.758 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.845 7.077 9.422 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.728 5.370 7.653 1.00 0.00 H new ATOM 476 N ASN A 32 12.983 7.747 9.526 1.00 0.00 N ATOM 477 CA ASN A 32 12.933 7.178 10.879 1.00 0.00 C ATOM 478 C ASN A 32 11.613 7.530 11.577 1.00 0.00 C ATOM 479 O ASN A 32 11.454 7.337 12.783 1.00 0.00 O ATOM 480 CB ASN A 32 14.136 7.653 11.712 1.00 0.00 C ATOM 481 CG ASN A 32 14.288 6.908 13.028 1.00 0.00 C ATOM 482 OD1 ASN A 32 13.955 5.728 13.135 1.00 0.00 O ATOM 483 ND2 ASN A 32 14.790 7.601 14.039 1.00 0.00 N ATOM 0 H ASN A 32 12.881 7.053 8.785 1.00 0.00 H new ATOM 0 HA ASN A 32 12.985 6.093 10.791 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.046 7.530 11.126 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.030 8.718 11.916 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.913 7.158 14.949 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.053 8.578 13.907 1.00 0.00 H new ATOM 490 N GLU A 33 10.655 8.026 10.805 1.00 0.00 N ATOM 491 CA GLU A 33 9.344 8.367 11.342 1.00 0.00 C ATOM 492 C GLU A 33 8.392 7.185 11.201 1.00 0.00 C ATOM 493 O GLU A 33 8.425 6.469 10.198 1.00 0.00 O ATOM 494 CB GLU A 33 8.782 9.598 10.622 1.00 0.00 C ATOM 495 CG GLU A 33 7.350 9.942 10.999 1.00 0.00 C ATOM 496 CD GLU A 33 6.823 11.158 10.266 1.00 0.00 C ATOM 497 OE1 GLU A 33 6.840 11.166 9.015 1.00 0.00 O ATOM 498 OE2 GLU A 33 6.382 12.114 10.936 1.00 0.00 O ATOM 0 H GLU A 33 10.761 8.201 9.806 1.00 0.00 H new ATOM 0 HA GLU A 33 9.448 8.602 12.401 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.419 10.455 10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.832 9.430 9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.708 9.088 10.784 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.295 10.119 12.073 1.00 0.00 H new ATOM 505 N ALA A 34 7.564 6.971 12.213 1.00 0.00 N ATOM 506 CA ALA A 34 6.557 5.924 12.165 1.00 0.00 C ATOM 507 C ALA A 34 5.312 6.454 11.473 1.00 0.00 C ATOM 508 O ALA A 34 4.693 7.412 11.942 1.00 0.00 O ATOM 509 CB ALA A 34 6.229 5.429 13.567 1.00 0.00 C ATOM 0 H ALA A 34 7.571 7.510 13.079 1.00 0.00 H new ATOM 0 HA ALA A 34 6.946 5.078 11.598 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.473 4.646 13.509 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.130 5.030 14.032 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.848 6.257 14.165 1.00 0.00 H new ATOM 515 N TYR A 35 4.959 5.850 10.352 1.00 0.00 N ATOM 516 CA TYR A 35 3.860 6.347 9.545 1.00 0.00 C ATOM 517 C TYR A 35 2.582 5.558 9.786 1.00 0.00 C ATOM 518 O TYR A 35 2.605 4.454 10.330 1.00 0.00 O ATOM 519 CB TYR A 35 4.221 6.309 8.058 1.00 0.00 C ATOM 520 CG TYR A 35 4.573 4.933 7.528 1.00 0.00 C ATOM 521 CD1 TYR A 35 3.580 4.019 7.197 1.00 0.00 C ATOM 522 CD2 TYR A 35 5.896 4.558 7.342 1.00 0.00 C ATOM 523 CE1 TYR A 35 3.895 2.773 6.696 1.00 0.00 C ATOM 524 CE2 TYR A 35 6.220 3.311 6.844 1.00 0.00 C ATOM 525 CZ TYR A 35 5.216 2.422 6.523 1.00 0.00 C ATOM 526 OH TYR A 35 5.532 1.185 6.012 1.00 0.00 O ATOM 0 H TYR A 35 5.416 5.017 9.981 1.00 0.00 H new ATOM 0 HA TYR A 35 3.682 7.380 9.845 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.382 6.701 7.484 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.065 6.977 7.885 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.543 4.289 7.334 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.685 5.252 7.591 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.110 2.076 6.441 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.255 3.034 6.707 1.00 0.00 H new ATOM 0 HH TYR A 35 6.505 1.107 5.922 1.00 0.00 H new ATOM 536 N ASN A 36 1.473 6.142 9.369 1.00 0.00 N ATOM 537 CA ASN A 36 0.179 5.489 9.442 1.00 0.00 C ATOM 538 C ASN A 36 -0.350 5.246 8.038 1.00 0.00 C ATOM 539 O ASN A 36 -0.356 6.153 7.206 1.00 0.00 O ATOM 540 CB ASN A 36 -0.813 6.350 10.226 1.00 0.00 C ATOM 541 CG ASN A 36 -0.445 6.480 11.691 1.00 0.00 C ATOM 542 OD1 ASN A 36 -0.884 5.688 12.527 1.00 0.00 O ATOM 543 ND2 ASN A 36 0.364 7.477 12.014 1.00 0.00 N ATOM 0 H ASN A 36 1.444 7.081 8.971 1.00 0.00 H new ATOM 0 HA ASN A 36 0.296 4.536 9.958 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.860 7.343 9.778 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.809 5.916 10.143 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.646 7.611 12.985 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.706 8.111 11.292 1.00 0.00 H new ATOM 550 N VAL A 37 -0.779 4.024 7.770 1.00 0.00 N ATOM 551 CA VAL A 37 -1.313 3.682 6.463 1.00 0.00 C ATOM 552 C VAL A 37 -2.838 3.806 6.454 1.00 0.00 C ATOM 553 O VAL A 37 -3.541 3.088 7.168 1.00 0.00 O ATOM 554 CB VAL A 37 -0.876 2.264 6.019 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.262 1.213 7.048 1.00 0.00 C ATOM 556 CG2 VAL A 37 -1.458 1.922 4.654 1.00 0.00 C ATOM 0 H VAL A 37 -0.768 3.254 8.439 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.902 4.391 5.744 1.00 0.00 H new ATOM 0 HB VAL A 37 0.211 2.264 5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.940 0.231 6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.780 1.440 7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.344 1.214 7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.138 0.922 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.546 1.955 4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.107 2.645 3.917 1.00 0.00 H new ATOM 566 N PRO A 38 -3.367 4.753 5.669 1.00 0.00 N ATOM 567 CA PRO A 38 -4.807 4.973 5.555 1.00 0.00 C ATOM 568 C PRO A 38 -5.489 3.884 4.736 1.00 0.00 C ATOM 569 O PRO A 38 -5.195 3.707 3.551 1.00 0.00 O ATOM 570 CB PRO A 38 -4.922 6.328 4.836 1.00 0.00 C ATOM 571 CG PRO A 38 -3.534 6.877 4.766 1.00 0.00 C ATOM 572 CD PRO A 38 -2.611 5.698 4.839 1.00 0.00 C ATOM 0 HA PRO A 38 -5.294 4.957 6.530 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.344 6.206 3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.582 7.004 5.380 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.382 7.433 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.347 7.568 5.588 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.396 5.289 3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.654 5.959 5.291 1.00 0.00 H new ATOM 580 N MET A 39 -6.391 3.152 5.372 1.00 0.00 N ATOM 581 CA MET A 39 -7.134 2.102 4.694 1.00 0.00 C ATOM 582 C MET A 39 -8.357 2.692 4.004 1.00 0.00 C ATOM 583 O MET A 39 -9.272 3.194 4.660 1.00 0.00 O ATOM 584 CB MET A 39 -7.562 1.016 5.683 1.00 0.00 C ATOM 585 CG MET A 39 -8.285 -0.149 5.025 1.00 0.00 C ATOM 586 SD MET A 39 -8.699 -1.461 6.188 1.00 0.00 S ATOM 587 CE MET A 39 -7.073 -1.892 6.806 1.00 0.00 C ATOM 0 H MET A 39 -6.626 3.266 6.358 1.00 0.00 H new ATOM 0 HA MET A 39 -6.485 1.648 3.945 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.681 0.640 6.202 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.212 1.458 6.438 1.00 0.00 H new ATOM 0 HG2 MET A 39 -9.199 0.215 4.555 1.00 0.00 H new ATOM 0 HG3 MET A 39 -7.659 -0.557 4.231 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.123 -2.850 7.324 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.375 -1.966 5.972 1.00 0.00 H new ATOM 0 HE3 MET A 39 -6.731 -1.123 7.498 1.00 0.00 H new ATOM 597 N LYS A 40 -8.358 2.639 2.682 1.00 0.00 N ATOM 598 CA LYS A 40 -9.445 3.201 1.895 1.00 0.00 C ATOM 599 C LYS A 40 -10.517 2.155 1.639 1.00 0.00 C ATOM 600 O LYS A 40 -10.210 0.988 1.391 1.00 0.00 O ATOM 601 CB LYS A 40 -8.922 3.713 0.553 1.00 0.00 C ATOM 602 CG LYS A 40 -7.780 4.706 0.665 1.00 0.00 C ATOM 603 CD LYS A 40 -7.325 5.159 -0.710 1.00 0.00 C ATOM 604 CE LYS A 40 -6.128 6.092 -0.634 1.00 0.00 C ATOM 605 NZ LYS A 40 -5.709 6.561 -1.982 1.00 0.00 N ATOM 0 H LYS A 40 -7.615 2.211 2.129 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.874 4.028 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.591 2.862 -0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.744 4.182 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.098 5.569 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.946 4.249 1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.068 4.288 -1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.147 5.665 -1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.375 6.951 -0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.296 5.578 -0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.890 7.195 -1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.449 5.743 -2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.495 7.073 -2.431 1.00 0.00 H new ATOM 619 N LYS A 41 -11.772 2.568 1.695 1.00 0.00 N ATOM 620 CA LYS A 41 -12.865 1.677 1.346 1.00 0.00 C ATOM 621 C LYS A 41 -13.159 1.786 -0.137 1.00 0.00 C ATOM 622 O LYS A 41 -13.841 2.715 -0.579 1.00 0.00 O ATOM 623 CB LYS A 41 -14.136 1.995 2.134 1.00 0.00 C ATOM 624 CG LYS A 41 -15.270 1.009 1.866 1.00 0.00 C ATOM 625 CD LYS A 41 -16.617 1.590 2.257 1.00 0.00 C ATOM 626 CE LYS A 41 -17.731 0.566 2.114 1.00 0.00 C ATOM 627 NZ LYS A 41 -17.642 -0.494 3.150 1.00 0.00 N ATOM 0 H LYS A 41 -12.058 3.506 1.976 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.555 0.663 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.906 1.993 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.470 3.001 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.280 0.743 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.093 0.089 2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.576 1.943 3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.836 2.456 1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.696 1.067 2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.682 0.112 1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.512 -1.063 3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.825 -1.106 2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.526 -0.056 4.086 1.00 0.00 H new ATOM 641 N ILE A 42 -12.616 0.865 -0.907 1.00 0.00 N ATOM 642 CA ILE A 42 -12.892 0.818 -2.327 1.00 0.00 C ATOM 643 C ILE A 42 -14.236 0.131 -2.542 1.00 0.00 C ATOM 644 O ILE A 42 -14.575 -0.805 -1.815 1.00 0.00 O ATOM 645 CB ILE A 42 -11.774 0.083 -3.095 1.00 0.00 C ATOM 646 CG1 ILE A 42 -10.402 0.568 -2.611 1.00 0.00 C ATOM 647 CG2 ILE A 42 -11.917 0.319 -4.594 1.00 0.00 C ATOM 648 CD1 ILE A 42 -9.236 -0.153 -3.252 1.00 0.00 C ATOM 0 H ILE A 42 -11.981 0.140 -0.573 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.931 1.835 -2.716 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.860 -0.987 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.312 1.635 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.344 0.443 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.121 -0.206 -5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.884 -0.055 -4.931 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.848 1.387 -4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.301 0.246 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.299 -1.218 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.267 -0.007 -4.332 1.00 0.00 H new ATOM 660 N LYS A 43 -14.999 0.623 -3.514 1.00 0.00 N ATOM 661 CA LYS A 43 -16.366 0.168 -3.757 1.00 0.00 C ATOM 662 C LYS A 43 -16.474 -1.356 -3.839 1.00 0.00 C ATOM 663 O LYS A 43 -16.101 -1.966 -4.842 1.00 0.00 O ATOM 664 CB LYS A 43 -16.899 0.800 -5.046 1.00 0.00 C ATOM 665 CG LYS A 43 -18.320 0.393 -5.390 1.00 0.00 C ATOM 666 CD LYS A 43 -18.800 1.078 -6.657 1.00 0.00 C ATOM 667 CE LYS A 43 -20.199 0.626 -7.039 1.00 0.00 C ATOM 668 NZ LYS A 43 -21.183 0.878 -5.956 1.00 0.00 N ATOM 0 H LYS A 43 -14.687 1.350 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.969 0.485 -2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.855 1.885 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.243 0.525 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.370 -0.688 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -18.983 0.647 -4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -18.792 2.158 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.111 0.860 -7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.514 1.148 -7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.184 -0.438 -7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.146 0.747 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.018 0.211 -5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.075 1.852 -5.608 1.00 0.00 H new ATOM 682 N GLY A 44 -16.981 -1.955 -2.769 1.00 0.00 N ATOM 683 CA GLY A 44 -17.234 -3.379 -2.751 1.00 0.00 C ATOM 684 C GLY A 44 -15.972 -4.214 -2.679 1.00 0.00 C ATOM 685 O GLY A 44 -15.911 -5.307 -3.244 1.00 0.00 O ATOM 0 H GLY A 44 -17.223 -1.471 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.867 -3.617 -1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.791 -3.653 -3.647 1.00 0.00 H new ATOM 689 N TYR A 45 -14.963 -3.705 -1.995 1.00 0.00 N ATOM 690 CA TYR A 45 -13.751 -4.470 -1.764 1.00 0.00 C ATOM 691 C TYR A 45 -13.533 -4.688 -0.277 1.00 0.00 C ATOM 692 O TYR A 45 -13.500 -3.737 0.507 1.00 0.00 O ATOM 693 CB TYR A 45 -12.538 -3.780 -2.389 1.00 0.00 C ATOM 694 CG TYR A 45 -12.515 -3.868 -3.897 1.00 0.00 C ATOM 695 CD1 TYR A 45 -11.932 -4.953 -4.537 1.00 0.00 C ATOM 696 CD2 TYR A 45 -13.080 -2.871 -4.678 1.00 0.00 C ATOM 697 CE1 TYR A 45 -11.916 -5.042 -5.915 1.00 0.00 C ATOM 698 CE2 TYR A 45 -13.066 -2.952 -6.055 1.00 0.00 C ATOM 699 CZ TYR A 45 -12.483 -4.038 -6.668 1.00 0.00 C ATOM 700 OH TYR A 45 -12.471 -4.121 -8.041 1.00 0.00 O ATOM 0 H TYR A 45 -14.958 -2.768 -1.591 1.00 0.00 H new ATOM 0 HA TYR A 45 -13.870 -5.442 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.532 -2.731 -2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.628 -4.229 -1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.484 -5.740 -3.948 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -13.538 -2.018 -4.201 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.462 -5.894 -6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.510 -2.167 -6.649 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.912 -3.333 -8.420 1.00 0.00 H new ATOM 710 N THR A 46 -13.410 -5.945 0.104 1.00 0.00 N ATOM 711 CA THR A 46 -13.176 -6.308 1.486 1.00 0.00 C ATOM 712 C THR A 46 -11.734 -6.765 1.662 1.00 0.00 C ATOM 713 O THR A 46 -11.233 -7.555 0.866 1.00 0.00 O ATOM 714 CB THR A 46 -14.148 -7.419 1.932 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.490 -6.923 1.878 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.840 -7.901 3.344 1.00 0.00 C ATOM 0 H THR A 46 -13.469 -6.739 -0.533 1.00 0.00 H new ATOM 0 HA THR A 46 -13.352 -5.433 2.111 1.00 0.00 H new ATOM 0 HB THR A 46 -14.030 -8.265 1.255 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.683 -6.412 2.691 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.546 -8.684 3.623 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.825 -8.298 3.380 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.929 -7.067 4.040 1.00 0.00 H new ATOM 724 N LEU A 47 -11.062 -6.254 2.683 1.00 0.00 N ATOM 725 CA LEU A 47 -9.660 -6.582 2.898 1.00 0.00 C ATOM 726 C LEU A 47 -9.484 -8.071 3.156 1.00 0.00 C ATOM 727 O LEU A 47 -10.105 -8.639 4.058 1.00 0.00 O ATOM 728 CB LEU A 47 -9.080 -5.795 4.073 1.00 0.00 C ATOM 729 CG LEU A 47 -7.571 -5.959 4.270 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.807 -5.273 3.152 1.00 0.00 C ATOM 731 CD2 LEU A 47 -7.140 -5.414 5.618 1.00 0.00 C ATOM 0 H LEU A 47 -11.461 -5.615 3.371 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.123 -6.308 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.301 -4.737 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.588 -6.105 4.986 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.341 -7.024 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.736 -5.401 3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.087 -5.714 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.048 -4.210 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.064 -5.542 5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.388 -4.354 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.658 -5.954 6.411 1.00 0.00 H new ATOM 743 N LEU A 48 -8.645 -8.698 2.351 1.00 0.00 N ATOM 744 CA LEU A 48 -8.292 -10.087 2.559 1.00 0.00 C ATOM 745 C LEU A 48 -7.220 -10.160 3.637 1.00 0.00 C ATOM 746 O LEU A 48 -7.373 -10.855 4.644 1.00 0.00 O ATOM 747 CB LEU A 48 -7.779 -10.703 1.253 1.00 0.00 C ATOM 748 CG LEU A 48 -7.400 -12.186 1.326 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.624 -13.040 1.613 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.733 -12.626 0.031 1.00 0.00 C ATOM 0 H LEU A 48 -8.195 -8.264 1.545 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.170 -10.649 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.545 -10.579 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.906 -10.139 0.924 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.692 -12.320 2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.333 -14.089 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.061 -12.741 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.358 -12.903 0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.469 -13.682 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.420 -12.476 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.831 -12.036 -0.132 1.00 0.00 H new ATOM 762 N LYS A 49 -6.163 -9.385 3.424 1.00 0.00 N ATOM 763 CA LYS A 49 -5.015 -9.345 4.321 1.00 0.00 C ATOM 764 C LYS A 49 -3.935 -8.473 3.694 1.00 0.00 C ATOM 765 O LYS A 49 -3.955 -8.230 2.486 1.00 0.00 O ATOM 766 CB LYS A 49 -4.465 -10.760 4.557 1.00 0.00 C ATOM 767 CG LYS A 49 -3.458 -10.860 5.694 1.00 0.00 C ATOM 768 CD LYS A 49 -2.874 -12.259 5.792 1.00 0.00 C ATOM 769 CE LYS A 49 -2.078 -12.611 4.546 1.00 0.00 C ATOM 770 NZ LYS A 49 -1.648 -14.032 4.539 1.00 0.00 N ATOM 0 H LYS A 49 -6.078 -8.763 2.620 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.322 -8.932 5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.298 -11.431 4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.995 -11.112 3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.656 -10.139 5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.942 -10.599 6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.230 -12.327 6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.678 -12.982 5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.683 -12.412 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.201 -11.967 4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.109 -14.227 3.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.049 -14.217 5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.485 -14.648 4.572 1.00 0.00 H new ATOM 784 N TYR A 50 -3.014 -7.983 4.504 1.00 0.00 N ATOM 785 CA TYR A 50 -1.862 -7.276 3.975 1.00 0.00 C ATOM 786 C TYR A 50 -0.754 -8.275 3.734 1.00 0.00 C ATOM 787 O TYR A 50 -0.609 -9.241 4.485 1.00 0.00 O ATOM 788 CB TYR A 50 -1.344 -6.205 4.935 1.00 0.00 C ATOM 789 CG TYR A 50 -2.353 -5.717 5.935 1.00 0.00 C ATOM 790 CD1 TYR A 50 -2.529 -6.391 7.130 1.00 0.00 C ATOM 791 CD2 TYR A 50 -3.109 -4.581 5.695 1.00 0.00 C ATOM 792 CE1 TYR A 50 -3.445 -5.951 8.066 1.00 0.00 C ATOM 793 CE2 TYR A 50 -4.024 -4.130 6.623 1.00 0.00 C ATOM 794 CZ TYR A 50 -4.189 -4.816 7.808 1.00 0.00 C ATOM 795 OH TYR A 50 -5.102 -4.365 8.734 1.00 0.00 O ATOM 0 H TYR A 50 -3.040 -8.060 5.521 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.170 -6.781 3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.484 -6.604 5.472 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.990 -5.355 4.352 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.942 -7.274 7.334 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.980 -4.041 4.768 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.578 -6.490 8.992 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.608 -3.244 6.423 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.363 -3.446 8.516 1.00 0.00 H new ATOM 805 N ASP A 51 0.019 -8.057 2.697 1.00 0.00 N ATOM 806 CA ASP A 51 1.168 -8.897 2.441 1.00 0.00 C ATOM 807 C ASP A 51 2.399 -8.295 3.105 1.00 0.00 C ATOM 808 O ASP A 51 3.378 -8.986 3.393 1.00 0.00 O ATOM 809 CB ASP A 51 1.373 -9.076 0.931 1.00 0.00 C ATOM 810 CG ASP A 51 2.689 -9.742 0.576 1.00 0.00 C ATOM 811 OD1 ASP A 51 2.872 -10.933 0.906 1.00 0.00 O ATOM 812 OD2 ASP A 51 3.548 -9.072 -0.038 1.00 0.00 O ATOM 0 H ASP A 51 -0.124 -7.309 2.019 1.00 0.00 H new ATOM 0 HA ASP A 51 0.998 -9.886 2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.553 -9.671 0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.326 -8.100 0.447 1.00 0.00 H new ATOM 817 N SER A 52 2.321 -7.004 3.372 1.00 0.00 N ATOM 818 CA SER A 52 3.373 -6.301 4.082 1.00 0.00 C ATOM 819 C SER A 52 2.844 -5.831 5.434 1.00 0.00 C ATOM 820 O SER A 52 1.837 -5.126 5.493 1.00 0.00 O ATOM 821 CB SER A 52 3.844 -5.104 3.257 1.00 0.00 C ATOM 822 OG SER A 52 4.042 -5.465 1.897 1.00 0.00 O ATOM 0 H SER A 52 1.531 -6.416 3.104 1.00 0.00 H new ATOM 0 HA SER A 52 4.217 -6.972 4.240 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.108 -4.303 3.320 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.774 -4.716 3.672 1.00 0.00 H new ATOM 0 HG SER A 52 4.653 -4.826 1.475 1.00 0.00 H new ATOM 828 N GLU A 53 3.504 -6.239 6.512 1.00 0.00 N ATOM 829 CA GLU A 53 3.092 -5.831 7.851 1.00 0.00 C ATOM 830 C GLU A 53 3.297 -4.333 8.038 1.00 0.00 C ATOM 831 O GLU A 53 4.375 -3.804 7.772 1.00 0.00 O ATOM 832 CB GLU A 53 3.851 -6.619 8.918 1.00 0.00 C ATOM 833 CG GLU A 53 3.475 -8.090 8.960 1.00 0.00 C ATOM 834 CD GLU A 53 4.145 -8.836 10.094 1.00 0.00 C ATOM 835 OE1 GLU A 53 3.873 -8.512 11.268 1.00 0.00 O ATOM 836 OE2 GLU A 53 4.946 -9.752 9.819 1.00 0.00 O ATOM 0 H GLU A 53 4.322 -6.848 6.486 1.00 0.00 H new ATOM 0 HA GLU A 53 2.030 -6.050 7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.921 -6.530 8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.658 -6.174 9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.393 -8.181 9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.747 -8.557 8.013 1.00 0.00 H new ATOM 843 N ILE A 54 2.257 -3.663 8.513 1.00 0.00 N ATOM 844 CA ILE A 54 2.240 -2.205 8.584 1.00 0.00 C ATOM 845 C ILE A 54 2.848 -1.687 9.889 1.00 0.00 C ATOM 846 O ILE A 54 2.328 -0.754 10.510 1.00 0.00 O ATOM 847 CB ILE A 54 0.799 -1.672 8.426 1.00 0.00 C ATOM 848 CG1 ILE A 54 -0.131 -2.300 9.474 1.00 0.00 C ATOM 849 CG2 ILE A 54 0.292 -1.959 7.018 1.00 0.00 C ATOM 850 CD1 ILE A 54 -1.554 -1.786 9.416 1.00 0.00 C ATOM 0 H ILE A 54 1.407 -4.108 8.858 1.00 0.00 H new ATOM 0 HA ILE A 54 2.853 -1.836 7.762 1.00 0.00 H new ATOM 0 HB ILE A 54 0.805 -0.594 8.585 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.140 -3.381 9.337 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.274 -2.108 10.467 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.725 -1.581 6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.939 -1.468 6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.299 -3.035 6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.150 -2.276 10.186 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.559 -0.709 9.584 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.979 -2.002 8.436 1.00 0.00 H new ATOM 862 N LEU A 55 3.965 -2.276 10.283 1.00 0.00 N ATOM 863 CA LEU A 55 4.659 -1.871 11.495 1.00 0.00 C ATOM 864 C LEU A 55 6.116 -1.550 11.192 1.00 0.00 C ATOM 865 O LEU A 55 6.950 -2.449 11.072 1.00 0.00 O ATOM 866 CB LEU A 55 4.573 -2.968 12.561 1.00 0.00 C ATOM 867 CG LEU A 55 3.172 -3.232 13.118 1.00 0.00 C ATOM 868 CD1 LEU A 55 3.197 -4.397 14.094 1.00 0.00 C ATOM 869 CD2 LEU A 55 2.623 -1.983 13.796 1.00 0.00 C ATOM 0 H LEU A 55 4.413 -3.041 9.778 1.00 0.00 H new ATOM 0 HA LEU A 55 4.174 -0.974 11.880 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.958 -3.895 12.136 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.230 -2.700 13.388 1.00 0.00 H new ATOM 0 HG LEU A 55 2.516 -3.491 12.287 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.192 -4.570 14.480 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.549 -5.293 13.582 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.868 -4.165 14.921 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.626 -2.189 14.186 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.281 -1.695 14.616 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.568 -1.170 13.072 1.00 0.00 H new ATOM 881 N GLY A 56 6.420 -0.270 11.045 1.00 0.00 N ATOM 882 CA GLY A 56 7.781 0.134 10.775 1.00 0.00 C ATOM 883 C GLY A 56 7.913 1.628 10.574 1.00 0.00 C ATOM 884 O GLY A 56 6.918 2.356 10.593 1.00 0.00 O ATOM 0 H GLY A 56 5.748 0.495 11.108 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.419 -0.176 11.602 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.140 -0.382 9.885 1.00 0.00 H new ATOM 888 N VAL A 57 9.142 2.082 10.391 1.00 0.00 N ATOM 889 CA VAL A 57 9.420 3.492 10.169 1.00 0.00 C ATOM 890 C VAL A 57 10.029 3.693 8.787 1.00 0.00 C ATOM 891 O VAL A 57 10.410 2.723 8.133 1.00 0.00 O ATOM 892 CB VAL A 57 10.380 4.058 11.240 1.00 0.00 C ATOM 893 CG1 VAL A 57 9.756 3.967 12.624 1.00 0.00 C ATOM 894 CG2 VAL A 57 11.720 3.335 11.208 1.00 0.00 C ATOM 0 H VAL A 57 9.971 1.488 10.392 1.00 0.00 H new ATOM 0 HA VAL A 57 8.474 4.029 10.239 1.00 0.00 H new ATOM 0 HB VAL A 57 10.557 5.109 11.011 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.449 4.371 13.363 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.829 4.541 12.644 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.542 2.924 12.859 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.377 3.752 11.971 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.566 2.274 11.403 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.178 3.461 10.227 1.00 0.00 H new ATOM 904 N PHE A 58 10.112 4.943 8.345 1.00 0.00 N ATOM 905 CA PHE A 58 10.722 5.255 7.055 1.00 0.00 C ATOM 906 C PHE A 58 12.213 4.920 7.061 1.00 0.00 C ATOM 907 O PHE A 58 13.009 5.597 7.717 1.00 0.00 O ATOM 908 CB PHE A 58 10.528 6.734 6.703 1.00 0.00 C ATOM 909 CG PHE A 58 9.103 7.119 6.415 1.00 0.00 C ATOM 910 CD1 PHE A 58 8.561 6.919 5.159 1.00 0.00 C ATOM 911 CD2 PHE A 58 8.312 7.691 7.397 1.00 0.00 C ATOM 912 CE1 PHE A 58 7.256 7.280 4.887 1.00 0.00 C ATOM 913 CE2 PHE A 58 7.008 8.057 7.130 1.00 0.00 C ATOM 914 CZ PHE A 58 6.478 7.850 5.873 1.00 0.00 C ATOM 0 H PHE A 58 9.767 5.754 8.857 1.00 0.00 H new ATOM 0 HA PHE A 58 10.227 4.644 6.300 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.897 7.343 7.528 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.139 6.972 5.833 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.165 6.475 4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.720 7.853 8.384 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.845 7.116 3.902 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.403 8.505 7.904 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.457 8.133 5.662 1.00 0.00 H new ATOM 924 N THR A 59 12.579 3.867 6.343 1.00 0.00 N ATOM 925 CA THR A 59 13.968 3.447 6.240 1.00 0.00 C ATOM 926 C THR A 59 14.583 3.921 4.923 1.00 0.00 C ATOM 927 O THR A 59 13.954 4.661 4.170 1.00 0.00 O ATOM 928 CB THR A 59 14.086 1.911 6.342 1.00 0.00 C ATOM 929 OG1 THR A 59 13.140 1.282 5.465 1.00 0.00 O ATOM 930 CG2 THR A 59 13.849 1.442 7.771 1.00 0.00 C ATOM 0 H THR A 59 11.926 3.284 5.819 1.00 0.00 H new ATOM 0 HA THR A 59 14.512 3.900 7.069 1.00 0.00 H new ATOM 0 HB THR A 59 15.096 1.629 6.046 1.00 0.00 H new ATOM 0 HG1 THR A 59 13.619 0.756 4.791 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.937 0.357 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.590 1.895 8.430 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.850 1.738 8.090 1.00 0.00 H new ATOM 938 N GLU A 60 15.816 3.498 4.653 1.00 0.00 N ATOM 939 CA GLU A 60 16.489 3.833 3.398 1.00 0.00 C ATOM 940 C GLU A 60 16.155 2.804 2.324 1.00 0.00 C ATOM 941 O GLU A 60 16.906 2.612 1.366 1.00 0.00 O ATOM 942 CB GLU A 60 18.006 3.903 3.604 1.00 0.00 C ATOM 943 CG GLU A 60 18.452 5.092 4.437 1.00 0.00 C ATOM 944 CD GLU A 60 19.954 5.153 4.615 1.00 0.00 C ATOM 945 OE1 GLU A 60 20.670 5.335 3.610 1.00 0.00 O ATOM 946 OE2 GLU A 60 20.427 5.032 5.765 1.00 0.00 O ATOM 0 H GLU A 60 16.371 2.922 5.286 1.00 0.00 H new ATOM 0 HA GLU A 60 16.135 4.810 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.341 2.985 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.495 3.948 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.109 6.011 3.962 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.976 5.043 5.416 1.00 0.00 H new ATOM 953 N SER A 61 15.016 2.159 2.487 1.00 0.00 N ATOM 954 CA SER A 61 14.568 1.136 1.567 1.00 0.00 C ATOM 955 C SER A 61 13.098 1.353 1.224 1.00 0.00 C ATOM 956 O SER A 61 12.254 1.393 2.118 1.00 0.00 O ATOM 957 CB SER A 61 14.782 -0.247 2.188 1.00 0.00 C ATOM 958 OG SER A 61 14.342 -0.274 3.539 1.00 0.00 O ATOM 0 H SER A 61 14.376 2.331 3.262 1.00 0.00 H new ATOM 0 HA SER A 61 15.148 1.197 0.646 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.240 -0.996 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.839 -0.511 2.141 1.00 0.00 H new ATOM 0 HG SER A 61 14.488 -1.168 3.913 1.00 0.00 H new ATOM 964 N PRO A 62 12.779 1.530 -0.068 1.00 0.00 N ATOM 965 CA PRO A 62 11.399 1.728 -0.521 1.00 0.00 C ATOM 966 C PRO A 62 10.503 0.569 -0.102 1.00 0.00 C ATOM 967 O PRO A 62 10.597 -0.535 -0.644 1.00 0.00 O ATOM 968 CB PRO A 62 11.520 1.798 -2.047 1.00 0.00 C ATOM 969 CG PRO A 62 12.939 2.176 -2.302 1.00 0.00 C ATOM 970 CD PRO A 62 13.734 1.560 -1.188 1.00 0.00 C ATOM 0 HA PRO A 62 10.945 2.620 -0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.278 0.840 -2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.834 2.535 -2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.274 1.807 -3.271 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.059 3.259 -2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.082 0.560 -1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.617 2.153 -0.948 1.00 0.00 H new ATOM 978 N GLN A 63 9.653 0.817 0.882 1.00 0.00 N ATOM 979 CA GLN A 63 8.820 -0.231 1.444 1.00 0.00 C ATOM 980 C GLN A 63 7.541 -0.380 0.633 1.00 0.00 C ATOM 981 O GLN A 63 6.698 0.514 0.620 1.00 0.00 O ATOM 982 CB GLN A 63 8.485 0.082 2.907 1.00 0.00 C ATOM 983 CG GLN A 63 9.670 0.620 3.697 1.00 0.00 C ATOM 984 CD GLN A 63 9.360 0.835 5.166 1.00 0.00 C ATOM 985 OE1 GLN A 63 8.213 1.048 5.550 1.00 0.00 O ATOM 986 NE2 GLN A 63 10.392 0.818 5.994 1.00 0.00 N ATOM 0 H GLN A 63 9.523 1.735 1.307 1.00 0.00 H new ATOM 0 HA GLN A 63 9.371 -1.171 1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.676 0.811 2.939 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.117 -0.824 3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.505 -0.075 3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.992 1.564 3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.330 0.637 5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.250 0.986 6.990 1.00 0.00 H new ATOM 995 N THR A 64 7.416 -1.493 -0.069 1.00 0.00 N ATOM 996 CA THR A 64 6.215 -1.769 -0.835 1.00 0.00 C ATOM 997 C THR A 64 5.182 -2.473 0.039 1.00 0.00 C ATOM 998 O THR A 64 5.349 -3.643 0.392 1.00 0.00 O ATOM 999 CB THR A 64 6.523 -2.638 -2.070 1.00 0.00 C ATOM 1000 OG1 THR A 64 7.561 -2.026 -2.847 1.00 0.00 O ATOM 1001 CG2 THR A 64 5.281 -2.816 -2.933 1.00 0.00 C ATOM 0 H THR A 64 8.131 -2.219 -0.124 1.00 0.00 H new ATOM 0 HA THR A 64 5.815 -0.815 -1.177 1.00 0.00 H new ATOM 0 HB THR A 64 6.850 -3.619 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.755 -2.582 -3.630 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.524 -3.433 -3.798 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.499 -3.302 -2.349 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.929 -1.841 -3.270 1.00 0.00 H new ATOM 1009 N ILE A 65 4.135 -1.750 0.403 1.00 0.00 N ATOM 1010 CA ILE A 65 3.074 -2.310 1.223 1.00 0.00 C ATOM 1011 C ILE A 65 1.981 -2.883 0.337 1.00 0.00 C ATOM 1012 O ILE A 65 1.205 -2.142 -0.271 1.00 0.00 O ATOM 1013 CB ILE A 65 2.456 -1.260 2.172 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.536 -0.630 3.052 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.377 -1.901 3.036 1.00 0.00 C ATOM 1016 CD1 ILE A 65 3.008 0.437 3.984 1.00 0.00 C ATOM 0 H ILE A 65 3.998 -0.773 0.143 1.00 0.00 H new ATOM 0 HA ILE A 65 3.519 -3.097 1.832 1.00 0.00 H new ATOM 0 HB ILE A 65 2.001 -0.474 1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.015 -1.412 3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.306 -0.196 2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.949 -1.150 3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.594 -2.309 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.815 -2.703 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.829 0.840 4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.555 1.238 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.259 0.003 4.647 1.00 0.00 H new ATOM 1028 N ASN A 66 1.938 -4.203 0.250 1.00 0.00 N ATOM 1029 CA ASN A 66 0.924 -4.876 -0.545 1.00 0.00 C ATOM 1030 C ASN A 66 -0.348 -5.052 0.267 1.00 0.00 C ATOM 1031 O ASN A 66 -0.413 -5.896 1.162 1.00 0.00 O ATOM 1032 CB ASN A 66 1.422 -6.240 -1.030 1.00 0.00 C ATOM 1033 CG ASN A 66 2.537 -6.137 -2.053 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.604 -5.182 -2.826 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.421 -7.125 -2.064 1.00 0.00 N ATOM 0 H ASN A 66 2.593 -4.829 0.720 1.00 0.00 H new ATOM 0 HA ASN A 66 0.712 -4.256 -1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.774 -6.817 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.588 -6.791 -1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.193 -7.111 -2.731 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.329 -7.899 -1.406 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.344 -4.237 -0.026 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.631 -4.336 0.640 1.00 0.00 C ATOM 1044 C ILE A 67 -3.627 -5.015 -0.288 1.00 0.00 C ATOM 1045 O ILE A 67 -4.048 -4.435 -1.286 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.162 -2.947 1.058 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.160 -2.257 1.988 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.516 -3.076 1.739 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -2.596 -0.882 2.443 1.00 0.00 C ATOM 0 H ILE A 67 -1.287 -3.495 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.503 -4.928 1.546 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.285 -2.338 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.999 -2.885 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.201 -2.173 1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.874 -2.088 2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.227 -3.534 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.418 -3.699 2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.835 -0.457 3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.729 -0.236 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.539 -0.960 2.984 1.00 0.00 H new ATOM 1061 N ILE A 68 -3.990 -6.246 0.035 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.813 -7.046 -0.859 1.00 0.00 C ATOM 1063 C ILE A 68 -6.284 -6.981 -0.466 1.00 0.00 C ATOM 1064 O ILE A 68 -6.673 -7.410 0.626 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.350 -8.521 -0.886 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.904 -8.614 -1.387 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.272 -9.357 -1.765 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.322 -10.009 -1.317 1.00 0.00 C ATOM 0 H ILE A 68 -3.730 -6.711 0.905 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.696 -6.624 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.394 -8.916 0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.864 -8.265 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.281 -7.941 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.929 -10.392 -1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.288 -9.313 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.259 -8.965 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.297 -9.995 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.329 -10.355 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.920 -10.684 -1.929 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.094 -6.432 -1.355 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.530 -6.410 -1.165 1.00 0.00 C ATOM 1082 C TYR A 69 -9.172 -7.484 -2.023 1.00 0.00 C ATOM 1083 O TYR A 69 -8.773 -7.694 -3.168 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.124 -5.047 -1.528 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.691 -3.916 -0.623 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -9.213 -3.786 0.658 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -7.773 -2.972 -1.056 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -8.823 -2.747 1.484 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -7.381 -1.932 -0.236 1.00 0.00 C ATOM 1090 CZ TYR A 69 -7.909 -1.823 1.030 1.00 0.00 C ATOM 1091 OH TYR A 69 -7.512 -0.790 1.850 1.00 0.00 O ATOM 0 H TYR A 69 -6.777 -5.994 -2.220 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.733 -6.599 -0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.844 -4.804 -2.553 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.211 -5.120 -1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.934 -4.507 1.014 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.358 -3.051 -2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.233 -2.661 2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.662 -1.207 -0.587 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.193 -0.085 1.841 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.148 -8.168 -1.467 1.00 0.00 N ATOM 1102 CA GLN A 70 -10.878 -9.172 -2.205 1.00 0.00 C ATOM 1103 C GLN A 70 -12.163 -8.558 -2.734 1.00 0.00 C ATOM 1104 O GLN A 70 -12.887 -7.885 -1.992 1.00 0.00 O ATOM 1105 CB GLN A 70 -11.190 -10.376 -1.312 1.00 0.00 C ATOM 1106 CG GLN A 70 -11.739 -11.568 -2.077 1.00 0.00 C ATOM 1107 CD GLN A 70 -12.107 -12.731 -1.178 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -11.538 -12.913 -0.100 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -13.052 -13.540 -1.625 1.00 0.00 N ATOM 0 H GLN A 70 -10.454 -8.045 -0.502 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.270 -9.522 -3.039 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.282 -10.676 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.912 -10.078 -0.552 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.620 -11.258 -2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.997 -11.899 -2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.499 -13.355 -2.523 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.334 -14.349 -1.072 1.00 0.00 H new ATOM 1118 N LYS A 71 -12.429 -8.760 -4.013 1.00 0.00 N ATOM 1119 CA LYS A 71 -13.636 -8.238 -4.625 1.00 0.00 C ATOM 1120 C LYS A 71 -14.840 -8.946 -4.020 1.00 0.00 C ATOM 1121 O LYS A 71 -14.955 -10.166 -4.120 1.00 0.00 O ATOM 1122 CB LYS A 71 -13.592 -8.449 -6.143 1.00 0.00 C ATOM 1123 CG LYS A 71 -14.481 -7.497 -6.932 1.00 0.00 C ATOM 1124 CD LYS A 71 -14.485 -7.846 -8.413 1.00 0.00 C ATOM 1125 CE LYS A 71 -15.220 -6.803 -9.244 1.00 0.00 C ATOM 1126 NZ LYS A 71 -14.407 -5.572 -9.455 1.00 0.00 N ATOM 0 H LYS A 71 -11.824 -9.282 -4.647 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.714 -7.167 -4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.563 -8.335 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.890 -9.474 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.498 -7.539 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.131 -6.473 -6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.458 -7.934 -8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.955 -8.819 -8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.483 -7.232 -10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.154 -6.538 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.039 -4.756 -9.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.796 -5.413 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.817 -5.687 -10.304 1.00 0.00 H new ATOM 1140 N LYS A 72 -15.716 -8.179 -3.373 1.00 0.00 N ATOM 1141 CA LYS A 72 -16.866 -8.742 -2.666 1.00 0.00 C ATOM 1142 C LYS A 72 -17.679 -9.672 -3.554 1.00 0.00 C ATOM 1143 O LYS A 72 -18.106 -10.741 -3.107 1.00 0.00 O ATOM 1144 CB LYS A 72 -17.762 -7.627 -2.126 1.00 0.00 C ATOM 1145 CG LYS A 72 -17.521 -7.306 -0.661 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.344 -6.107 -0.219 1.00 0.00 C ATOM 1147 CE LYS A 72 -18.474 -6.034 1.294 1.00 0.00 C ATOM 1148 NZ LYS A 72 -19.119 -7.253 1.859 1.00 0.00 N ATOM 0 H LYS A 72 -15.651 -7.162 -3.324 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.476 -9.328 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -17.602 -6.726 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -18.805 -7.914 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.777 -8.171 -0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.462 -7.103 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.880 -5.192 -0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -19.336 -6.163 -0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.486 -5.908 1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.059 -5.155 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.296 -7.113 2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.021 -7.426 1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.491 -8.071 1.727 1.00 0.00 H new ATOM 1162 N ALA A 73 -17.878 -9.259 -4.809 1.00 0.00 N ATOM 1163 CA ALA A 73 -18.657 -10.039 -5.767 1.00 0.00 C ATOM 1164 C ALA A 73 -20.107 -10.174 -5.281 1.00 0.00 C ATOM 1165 O ALA A 73 -20.468 -9.603 -4.249 1.00 0.00 O ATOM 1166 CB ALA A 73 -17.998 -11.404 -5.980 1.00 0.00 C ATOM 0 H ALA A 73 -17.508 -8.385 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 73 -18.679 -9.525 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -18.582 -11.983 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -16.988 -11.264 -6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -17.954 -11.939 -5.031 1.00 0.00 H new ATOM 1172 N PRO A 74 -20.986 -10.866 -6.028 1.00 0.00 N ATOM 1173 CA PRO A 74 -22.329 -11.173 -5.539 1.00 0.00 C ATOM 1174 C PRO A 74 -22.284 -12.030 -4.277 1.00 0.00 C ATOM 1175 O PRO A 74 -22.069 -13.243 -4.345 1.00 0.00 O ATOM 1176 CB PRO A 74 -22.978 -11.949 -6.689 1.00 0.00 C ATOM 1177 CG PRO A 74 -22.176 -11.599 -7.894 1.00 0.00 C ATOM 1178 CD PRO A 74 -20.778 -11.360 -7.402 1.00 0.00 C ATOM 0 HA PRO A 74 -22.879 -10.272 -5.268 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -22.959 -13.022 -6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -24.023 -11.666 -6.815 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -22.200 -12.406 -8.627 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -22.575 -10.711 -8.384 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.184 -12.274 -7.416 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -20.253 -10.629 -8.018 1.00 0.00 H new ATOM 1186 N GLU A 75 -22.439 -11.391 -3.123 1.00 0.00 N ATOM 1187 CA GLU A 75 -22.482 -12.110 -1.861 1.00 0.00 C ATOM 1188 C GLU A 75 -23.716 -12.995 -1.823 1.00 0.00 C ATOM 1189 O GLU A 75 -24.839 -12.512 -1.994 1.00 0.00 O ATOM 1190 CB GLU A 75 -22.459 -11.141 -0.679 1.00 0.00 C ATOM 1191 CG GLU A 75 -21.188 -10.310 -0.613 1.00 0.00 C ATOM 1192 CD GLU A 75 -21.051 -9.551 0.687 1.00 0.00 C ATOM 1193 OE1 GLU A 75 -20.584 -10.147 1.679 1.00 0.00 O ATOM 1194 OE2 GLU A 75 -21.397 -8.349 0.727 1.00 0.00 O ATOM 0 H GLU A 75 -22.536 -10.379 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.596 -12.740 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.319 -10.474 -0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -22.566 -11.705 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -20.325 -10.964 -0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -21.177 -9.604 -1.443 1.00 0.00 H new ATOM 1201 N GLN A 76 -23.489 -14.289 -1.617 1.00 0.00 N ATOM 1202 CA GLN A 76 -24.528 -15.304 -1.761 1.00 0.00 C ATOM 1203 C GLN A 76 -25.003 -15.358 -3.206 1.00 0.00 C ATOM 1204 O GLN A 76 -26.112 -14.931 -3.529 1.00 0.00 O ATOM 1205 CB GLN A 76 -25.718 -15.063 -0.827 1.00 0.00 C ATOM 1206 CG GLN A 76 -25.433 -15.359 0.633 1.00 0.00 C ATOM 1207 CD GLN A 76 -26.663 -15.184 1.499 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -27.529 -14.356 1.208 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -26.764 -15.972 2.554 1.00 0.00 N ATOM 0 H GLN A 76 -22.580 -14.664 -1.346 1.00 0.00 H new ATOM 0 HA GLN A 76 -24.087 -16.260 -1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -26.034 -14.024 -0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -26.554 -15.681 -1.155 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -25.064 -16.380 0.730 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -24.642 -14.699 0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -26.026 -16.645 2.761 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -27.581 -15.908 3.162 1.00 0.00 H new ATOM 1218 N ALA A 77 -24.137 -15.850 -4.077 1.00 0.00 N ATOM 1219 CA ALA A 77 -24.474 -16.003 -5.480 1.00 0.00 C ATOM 1220 C ALA A 77 -25.398 -17.198 -5.666 1.00 0.00 C ATOM 1221 O ALA A 77 -25.665 -17.939 -4.718 1.00 0.00 O ATOM 1222 CB ALA A 77 -23.210 -16.167 -6.311 1.00 0.00 C ATOM 0 H ALA A 77 -23.193 -16.151 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 77 -24.993 -15.107 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -23.477 -16.281 -7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -22.579 -15.287 -6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -22.667 -17.051 -5.977 1.00 0.00 H new ATOM 1228 N LEU A 78 -25.875 -17.399 -6.884 1.00 0.00 N ATOM 1229 CA LEU A 78 -26.773 -18.510 -7.170 1.00 0.00 C ATOM 1230 C LEU A 78 -25.989 -19.800 -7.402 1.00 0.00 C ATOM 1231 O LEU A 78 -26.499 -20.759 -7.981 1.00 0.00 O ATOM 1232 CB LEU A 78 -27.650 -18.186 -8.383 1.00 0.00 C ATOM 1233 CG LEU A 78 -28.575 -16.977 -8.203 1.00 0.00 C ATOM 1234 CD1 LEU A 78 -29.430 -16.766 -9.441 1.00 0.00 C ATOM 1235 CD2 LEU A 78 -29.453 -17.153 -6.973 1.00 0.00 C ATOM 0 H LEU A 78 -25.657 -16.811 -7.688 1.00 0.00 H new ATOM 0 HA LEU A 78 -27.418 -18.660 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -27.005 -18.007 -9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -28.258 -19.059 -8.617 1.00 0.00 H new ATOM 0 HG LEU A 78 -27.955 -16.092 -8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -30.079 -15.903 -9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -28.786 -16.591 -10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -30.039 -17.652 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -30.102 -16.285 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -30.062 -18.050 -7.086 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -28.824 -17.251 -6.088 1.00 0.00 H new ATOM 1247 N GLU A 79 -24.753 -19.822 -6.922 1.00 0.00 N ATOM 1248 CA GLU A 79 -23.907 -20.998 -7.032 1.00 0.00 C ATOM 1249 C GLU A 79 -23.504 -21.492 -5.653 1.00 0.00 C ATOM 1250 O GLU A 79 -23.123 -20.701 -4.789 1.00 0.00 O ATOM 1251 CB GLU A 79 -22.631 -20.694 -7.820 1.00 0.00 C ATOM 1252 CG GLU A 79 -22.862 -20.074 -9.183 1.00 0.00 C ATOM 1253 CD GLU A 79 -21.595 -20.027 -10.009 1.00 0.00 C ATOM 1254 OE1 GLU A 79 -20.505 -19.804 -9.433 1.00 0.00 O ATOM 1255 OE2 GLU A 79 -21.676 -20.221 -11.238 1.00 0.00 O ATOM 0 H GLU A 79 -24.313 -19.032 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 79 -24.484 -21.761 -7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -22.008 -20.021 -7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -22.069 -21.620 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -23.621 -20.646 -9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -23.252 -19.064 -9.060 1.00 0.00 H new ATOM 1262 N HIS A 80 -23.593 -22.791 -5.444 1.00 0.00 N ATOM 1263 CA HIS A 80 -23.042 -23.401 -4.247 1.00 0.00 C ATOM 1264 C HIS A 80 -21.838 -24.244 -4.626 1.00 0.00 C ATOM 1265 O HIS A 80 -21.975 -25.354 -5.141 1.00 0.00 O ATOM 1266 CB HIS A 80 -24.090 -24.238 -3.509 1.00 0.00 C ATOM 1267 CG HIS A 80 -25.130 -23.404 -2.830 1.00 0.00 C ATOM 1268 ND1 HIS A 80 -26.461 -23.419 -3.183 1.00 0.00 N ATOM 1269 CD2 HIS A 80 -25.026 -22.520 -1.809 1.00 0.00 C ATOM 1270 CE1 HIS A 80 -27.128 -22.576 -2.416 1.00 0.00 C ATOM 1271 NE2 HIS A 80 -26.281 -22.021 -1.572 1.00 0.00 N ATOM 0 H HIS A 80 -24.041 -23.445 -6.086 1.00 0.00 H new ATOM 0 HA HIS A 80 -22.729 -22.612 -3.563 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -24.576 -24.909 -4.217 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -23.592 -24.863 -2.768 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -24.122 -22.257 -1.280 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -28.188 -22.375 -2.471 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -26.520 -21.332 -0.859 1.00 0.00 H new ATOM 1280 N HIS A 81 -20.657 -23.692 -4.394 1.00 0.00 N ATOM 1281 CA HIS A 81 -19.421 -24.322 -4.828 1.00 0.00 C ATOM 1282 C HIS A 81 -19.095 -25.509 -3.938 1.00 0.00 C ATOM 1283 O HIS A 81 -19.074 -25.394 -2.714 1.00 0.00 O ATOM 1284 CB HIS A 81 -18.268 -23.313 -4.834 1.00 0.00 C ATOM 1285 CG HIS A 81 -18.486 -22.161 -5.772 1.00 0.00 C ATOM 1286 ND1 HIS A 81 -18.176 -20.859 -5.451 1.00 0.00 N ATOM 1287 CD2 HIS A 81 -18.994 -22.122 -7.029 1.00 0.00 C ATOM 1288 CE1 HIS A 81 -18.485 -20.069 -6.462 1.00 0.00 C ATOM 1289 NE2 HIS A 81 -18.984 -20.809 -7.435 1.00 0.00 N ATOM 0 H HIS A 81 -20.529 -22.806 -3.906 1.00 0.00 H new ATOM 0 HA HIS A 81 -19.556 -24.682 -5.848 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -18.128 -22.928 -3.824 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -17.347 -23.827 -5.110 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -19.342 -22.967 -7.605 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -18.352 -18.998 -6.489 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -19.308 -20.463 -8.338 1.00 0.00 H new ATOM 1298 N HIS A 82 -18.832 -26.644 -4.565 1.00 0.00 N ATOM 1299 CA HIS A 82 -18.653 -27.897 -3.844 1.00 0.00 C ATOM 1300 C HIS A 82 -17.233 -28.019 -3.311 1.00 0.00 C ATOM 1301 O HIS A 82 -16.927 -28.917 -2.528 1.00 0.00 O ATOM 1302 CB HIS A 82 -18.962 -29.091 -4.755 1.00 0.00 C ATOM 1303 CG HIS A 82 -20.327 -29.052 -5.372 1.00 0.00 C ATOM 1304 ND1 HIS A 82 -20.531 -28.933 -6.728 1.00 0.00 N ATOM 1305 CD2 HIS A 82 -21.558 -29.127 -4.816 1.00 0.00 C ATOM 1306 CE1 HIS A 82 -21.826 -28.935 -6.979 1.00 0.00 C ATOM 1307 NE2 HIS A 82 -22.474 -29.052 -5.836 1.00 0.00 N ATOM 0 H HIS A 82 -18.737 -26.725 -5.577 1.00 0.00 H new ATOM 0 HA HIS A 82 -19.346 -27.898 -3.003 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -18.217 -29.131 -5.549 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -18.862 -30.010 -4.178 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.779 -29.227 -3.764 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -22.279 -28.854 -7.956 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -23.488 -29.082 -5.728 1.00 0.00 H new ATOM 1316 N HIS A 83 -16.364 -27.120 -3.743 1.00 0.00 N ATOM 1317 CA HIS A 83 -14.970 -27.169 -3.334 1.00 0.00 C ATOM 1318 C HIS A 83 -14.443 -25.799 -2.945 1.00 0.00 C ATOM 1319 O HIS A 83 -14.371 -24.882 -3.765 1.00 0.00 O ATOM 1320 CB HIS A 83 -14.102 -27.757 -4.444 1.00 0.00 C ATOM 1321 CG HIS A 83 -14.131 -29.250 -4.493 1.00 0.00 C ATOM 1322 ND1 HIS A 83 -14.722 -29.960 -5.514 1.00 0.00 N ATOM 1323 CD2 HIS A 83 -13.624 -30.170 -3.641 1.00 0.00 C ATOM 1324 CE1 HIS A 83 -14.580 -31.253 -5.286 1.00 0.00 C ATOM 1325 NE2 HIS A 83 -13.916 -31.406 -4.155 1.00 0.00 N ATOM 0 H HIS A 83 -16.597 -26.352 -4.373 1.00 0.00 H new ATOM 0 HA HIS A 83 -14.919 -27.812 -2.456 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -14.436 -27.363 -5.404 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -13.073 -27.425 -4.304 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -13.088 -29.968 -2.725 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.945 -32.050 -5.917 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -13.662 -32.299 -3.733 1.00 0.00 H new ATOM 1334 N HIS A 84 -14.102 -25.665 -1.677 1.00 0.00 N ATOM 1335 CA HIS A 84 -13.388 -24.499 -1.191 1.00 0.00 C ATOM 1336 C HIS A 84 -12.089 -24.966 -0.548 1.00 0.00 C ATOM 1337 O HIS A 84 -11.110 -24.227 -0.472 1.00 0.00 O ATOM 1338 CB HIS A 84 -14.234 -23.721 -0.180 1.00 0.00 C ATOM 1339 CG HIS A 84 -13.932 -22.251 -0.146 1.00 0.00 C ATOM 1340 ND1 HIS A 84 -14.917 -21.291 -0.094 1.00 0.00 N ATOM 1341 CD2 HIS A 84 -12.756 -21.577 -0.158 1.00 0.00 C ATOM 1342 CE1 HIS A 84 -14.365 -20.093 -0.079 1.00 0.00 C ATOM 1343 NE2 HIS A 84 -13.055 -20.238 -0.116 1.00 0.00 N ATOM 0 H HIS A 84 -14.311 -26.358 -0.958 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.175 -23.829 -2.024 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -15.289 -23.861 -0.418 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.073 -24.139 0.814 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.768 -22.012 -0.194 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -14.896 -19.153 -0.043 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -12.374 -19.478 -0.114 1.00 0.00 H new ATOM 1352 N HIS A 85 -12.105 -26.208 -0.080 1.00 0.00 N ATOM 1353 CA HIS A 85 -10.922 -26.854 0.466 1.00 0.00 C ATOM 1354 C HIS A 85 -10.590 -28.088 -0.356 1.00 0.00 C ATOM 1355 O HIS A 85 -11.169 -29.156 -0.075 1.00 0.00 O ATOM 1356 CB HIS A 85 -11.135 -27.250 1.929 1.00 0.00 C ATOM 1357 CG HIS A 85 -10.876 -26.145 2.901 1.00 0.00 C ATOM 1358 ND1 HIS A 85 -9.886 -26.208 3.854 1.00 0.00 N ATOM 1359 CD2 HIS A 85 -11.491 -24.953 3.077 1.00 0.00 C ATOM 1360 CE1 HIS A 85 -9.901 -25.106 4.575 1.00 0.00 C ATOM 1361 NE2 HIS A 85 -10.866 -24.325 4.126 1.00 0.00 N ATOM 1362 OXT HIS A 85 -9.779 -27.975 -1.296 1.00 0.00 O ATOM 0 H HIS A 85 -12.940 -26.794 -0.069 1.00 0.00 H new ATOM 0 HA HIS A 85 -10.094 -26.147 0.422 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -12.160 -27.598 2.055 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.482 -28.090 2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.319 -24.567 2.500 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -9.236 -24.879 5.395 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.108 -23.406 4.497 1.00 0.00 H new TER 1371 HIS A 85