USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 808 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 87 SER OG : rot 12:sc= 1.11 USER MOD Set 1.2: A 91 LYS NZ :NH3+ 165:sc= 1 (180deg=0) USER MOD Set 2.1: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 97 GLN : amide:sc= 0.172 K(o=0.17,f=-1.2) USER MOD Set 3.1: A 29 CYS SG : rot 164:sc= -0.0992 USER MOD Set 3.2: A 32 CYS SG : rot 67:sc= -0.388 USER MOD Set 4.1: A 7 THR OG1 : rot 112:sc= 1.17 USER MOD Set 4.2: A 9 GLN : amide:sc= 0.905 K(o=2.2,f=-3.2!) USER MOD Set 4.3: A 10 SER OG : rot 180:sc= 0.116 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 0.583 (180deg=0.488) USER MOD Single : A 5 LYS NZ :NH3+ 160:sc= 1.07 (180deg=0.801) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -81:sc= 1.25 USER MOD Single : A 16 SER OG : rot 99:sc= 1.23 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.592 K(o=0.59,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= 0.758 (180deg=0.746) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 3.68 (180deg=3.61) USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.21) USER MOD Single : A 60 ASN : amide:sc= 0.722 K(o=0.72,f=-8.3!) USER MOD Single : A 61 GLN : amide:sc= -1.29! C(o=-1.3!,f=-2.9!) USER MOD Single : A 63 THR OG1 : rot -53:sc= 0.483 USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 1.16 (180deg=0.838) USER MOD Single : A 67 TYR OH : rot -133:sc= 0.561 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 134:sc= 1.28 USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= 1.95 (180deg=1.3) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -170:sc= 2.43 (180deg=2.34) USER MOD Single : A 101 ASN : amide:sc= 0.18 X(o=0.18,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 157:sc= 1.26 (180deg=0.739) USER MOD Single : A 103 HIS : no HE2:sc=-0.00193 X(o=-0.0019,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.069 0.070 -2.537 1.00 0.00 N ATOM 2 CA MET A 1 2.643 -0.802 -1.491 1.00 0.00 C ATOM 3 C MET A 1 2.464 -2.268 -1.896 1.00 0.00 C ATOM 4 O MET A 1 3.429 -2.888 -2.349 1.00 0.00 O ATOM 5 CB MET A 1 2.079 -0.470 -0.093 1.00 0.00 C ATOM 6 CG MET A 1 2.766 -1.279 1.016 1.00 0.00 C ATOM 7 SD MET A 1 2.168 -0.895 2.687 1.00 0.00 S ATOM 8 CE MET A 1 3.202 -2.038 3.644 1.00 0.00 C ATOM 0 H1 MET A 1 2.458 1.030 -2.441 1.00 0.00 H new ATOM 0 H2 MET A 1 2.310 -0.309 -3.475 1.00 0.00 H new ATOM 0 H3 MET A 1 1.035 0.104 -2.432 1.00 0.00 H new ATOM 0 HA MET A 1 3.714 -0.615 -1.409 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.205 0.594 0.105 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.008 -0.672 -0.078 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.617 -2.341 0.823 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.840 -1.095 0.974 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.969 -1.939 4.704 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.006 -3.061 3.323 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.253 -1.801 3.480 1.00 0.00 H new ATOM 20 N ALA A 2 1.262 -2.838 -1.735 1.00 0.00 N ATOM 21 CA ALA A 2 0.883 -4.140 -2.267 1.00 0.00 C ATOM 22 C ALA A 2 -0.635 -4.155 -2.425 1.00 0.00 C ATOM 23 O ALA A 2 -1.360 -3.584 -1.604 1.00 0.00 O ATOM 24 CB ALA A 2 1.318 -5.263 -1.315 1.00 0.00 C ATOM 0 H ALA A 2 0.509 -2.387 -1.215 1.00 0.00 H new ATOM 0 HA ALA A 2 1.374 -4.306 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.025 -6.227 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.400 -5.235 -1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.838 -5.125 -0.346 1.00 0.00 H new ATOM 30 N ILE A 3 -1.108 -4.828 -3.472 1.00 0.00 N ATOM 31 CA ILE A 3 -2.525 -4.991 -3.762 1.00 0.00 C ATOM 32 C ILE A 3 -3.067 -6.083 -2.830 1.00 0.00 C ATOM 33 O ILE A 3 -2.367 -7.052 -2.514 1.00 0.00 O ATOM 34 CB ILE A 3 -2.680 -5.303 -5.269 1.00 0.00 C ATOM 35 CG1 ILE A 3 -2.150 -4.091 -6.078 1.00 0.00 C ATOM 36 CG2 ILE A 3 -4.136 -5.637 -5.641 1.00 0.00 C ATOM 37 CD1 ILE A 3 -2.120 -4.294 -7.589 1.00 0.00 C ATOM 0 H ILE A 3 -0.502 -5.283 -4.154 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.110 -4.090 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.096 -6.191 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.771 -3.223 -5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.141 -3.858 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.199 -5.849 -6.708 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.465 -6.510 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.777 -4.788 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.735 -3.394 -8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.474 -5.138 -7.830 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.129 -4.494 -7.949 1.00 0.00 H new ATOM 49 N VAL A 4 -4.321 -5.939 -2.412 1.00 0.00 N ATOM 50 CA VAL A 4 -4.987 -6.800 -1.443 1.00 0.00 C ATOM 51 C VAL A 4 -5.991 -7.657 -2.224 1.00 0.00 C ATOM 52 O VAL A 4 -6.261 -7.405 -3.401 1.00 0.00 O ATOM 53 CB VAL A 4 -5.610 -5.911 -0.335 1.00 0.00 C ATOM 54 CG1 VAL A 4 -6.237 -6.706 0.823 1.00 0.00 C ATOM 55 CG2 VAL A 4 -4.567 -4.956 0.278 1.00 0.00 C ATOM 0 H VAL A 4 -4.924 -5.190 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.312 -7.482 -0.925 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.398 -5.359 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.651 -6.015 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.032 -7.345 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.473 -7.323 1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.039 -4.349 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.756 -5.537 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.167 -4.306 -0.500 1.00 0.00 H new ATOM 65 N LYS A 5 -6.534 -8.700 -1.601 1.00 0.00 N ATOM 66 CA LYS A 5 -7.465 -9.636 -2.223 1.00 0.00 C ATOM 67 C LYS A 5 -8.545 -9.915 -1.189 1.00 0.00 C ATOM 68 O LYS A 5 -8.214 -10.097 -0.013 1.00 0.00 O ATOM 69 CB LYS A 5 -6.747 -10.941 -2.636 1.00 0.00 C ATOM 70 CG LYS A 5 -5.600 -10.757 -3.650 1.00 0.00 C ATOM 71 CD LYS A 5 -4.215 -10.543 -3.012 1.00 0.00 C ATOM 72 CE LYS A 5 -3.214 -10.090 -4.086 1.00 0.00 C ATOM 73 NZ LYS A 5 -1.906 -9.694 -3.506 1.00 0.00 N ATOM 0 H LYS A 5 -6.333 -8.923 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.891 -9.216 -3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.348 -11.418 -1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.482 -11.624 -3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.558 -11.634 -4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.829 -9.903 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.280 -9.794 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.871 -11.467 -2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.062 -10.898 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.633 -9.249 -4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.175 -9.724 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.973 -8.729 -3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.652 -10.351 -2.741 1.00 0.00 H new ATOM 87 N ALA A 6 -9.812 -9.933 -1.600 1.00 0.00 N ATOM 88 CA ALA A 6 -10.935 -10.192 -0.705 1.00 0.00 C ATOM 89 C ALA A 6 -12.034 -10.978 -1.420 1.00 0.00 C ATOM 90 O ALA A 6 -12.010 -11.128 -2.644 1.00 0.00 O ATOM 91 CB ALA A 6 -11.481 -8.865 -0.164 1.00 0.00 C ATOM 0 H ALA A 6 -10.088 -9.767 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.585 -10.798 0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.320 -9.062 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.695 -8.344 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.817 -8.244 -0.995 1.00 0.00 H new ATOM 97 N THR A 7 -13.009 -11.453 -0.649 1.00 0.00 N ATOM 98 CA THR A 7 -14.175 -12.186 -1.131 1.00 0.00 C ATOM 99 C THR A 7 -15.423 -11.603 -0.449 1.00 0.00 C ATOM 100 O THR A 7 -15.282 -10.730 0.404 1.00 0.00 O ATOM 101 CB THR A 7 -13.979 -13.694 -0.867 1.00 0.00 C ATOM 102 OG1 THR A 7 -13.790 -13.964 0.506 1.00 0.00 O ATOM 103 CG2 THR A 7 -12.772 -14.284 -1.604 1.00 0.00 C ATOM 0 H THR A 7 -13.008 -11.334 0.364 1.00 0.00 H new ATOM 0 HA THR A 7 -14.305 -12.077 -2.208 1.00 0.00 H new ATOM 0 HB THR A 7 -14.895 -14.156 -1.236 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.564 -14.456 0.852 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.690 -15.347 -1.376 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.902 -14.152 -2.678 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.864 -13.773 -1.283 1.00 0.00 H new ATOM 111 N ASP A 8 -16.640 -12.057 -0.767 1.00 0.00 N ATOM 112 CA ASP A 8 -17.889 -11.527 -0.192 1.00 0.00 C ATOM 113 C ASP A 8 -17.861 -11.473 1.341 1.00 0.00 C ATOM 114 O ASP A 8 -18.457 -10.596 1.966 1.00 0.00 O ATOM 115 CB ASP A 8 -19.095 -12.389 -0.597 1.00 0.00 C ATOM 116 CG ASP A 8 -20.390 -11.629 -0.270 1.00 0.00 C ATOM 117 OD1 ASP A 8 -20.570 -10.511 -0.811 1.00 0.00 O ATOM 118 OD2 ASP A 8 -21.218 -12.142 0.517 1.00 0.00 O ATOM 0 H ASP A 8 -16.791 -12.811 -1.438 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.982 -10.515 -0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.052 -12.618 -1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.073 -13.340 -0.065 1.00 0.00 H new ATOM 123 N GLN A 9 -17.142 -12.428 1.932 1.00 0.00 N ATOM 124 CA GLN A 9 -16.974 -12.628 3.359 1.00 0.00 C ATOM 125 C GLN A 9 -16.163 -11.504 4.027 1.00 0.00 C ATOM 126 O GLN A 9 -16.342 -11.267 5.224 1.00 0.00 O ATOM 127 CB GLN A 9 -16.277 -13.986 3.572 1.00 0.00 C ATOM 128 CG GLN A 9 -17.095 -15.214 3.100 1.00 0.00 C ATOM 129 CD GLN A 9 -17.124 -15.429 1.580 1.00 0.00 C ATOM 130 OE1 GLN A 9 -16.252 -14.957 0.858 1.00 0.00 O ATOM 131 NE2 GLN A 9 -18.121 -16.115 1.042 1.00 0.00 N ATOM 0 H GLN A 9 -16.632 -13.123 1.386 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.958 -12.613 3.828 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -15.324 -13.977 3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -16.053 -14.102 4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.685 -16.108 3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.120 -15.108 3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.849 -16.510 1.638 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.161 -16.249 0.032 1.00 0.00 H new ATOM 140 N SER A 10 -15.290 -10.812 3.287 1.00 0.00 N ATOM 141 CA SER A 10 -14.296 -9.892 3.839 1.00 0.00 C ATOM 142 C SER A 10 -14.156 -8.562 3.102 1.00 0.00 C ATOM 143 O SER A 10 -13.655 -7.593 3.678 1.00 0.00 O ATOM 144 CB SER A 10 -12.962 -10.646 3.840 1.00 0.00 C ATOM 145 OG SER A 10 -12.654 -11.142 2.540 1.00 0.00 O ATOM 0 H SER A 10 -15.256 -10.878 2.270 1.00 0.00 H new ATOM 0 HA SER A 10 -14.624 -9.602 4.837 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.166 -9.983 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.009 -11.474 4.547 1.00 0.00 H new ATOM 0 HG SER A 10 -11.798 -11.618 2.566 1.00 0.00 H new ATOM 151 N PHE A 11 -14.644 -8.476 1.867 1.00 0.00 N ATOM 152 CA PHE A 11 -14.610 -7.280 1.040 1.00 0.00 C ATOM 153 C PHE A 11 -15.228 -6.094 1.774 1.00 0.00 C ATOM 154 O PHE A 11 -14.745 -4.969 1.642 1.00 0.00 O ATOM 155 CB PHE A 11 -15.352 -7.588 -0.268 1.00 0.00 C ATOM 156 CG PHE A 11 -15.360 -6.469 -1.288 1.00 0.00 C ATOM 157 CD1 PHE A 11 -16.391 -5.511 -1.286 1.00 0.00 C ATOM 158 CD2 PHE A 11 -14.347 -6.406 -2.262 1.00 0.00 C ATOM 159 CE1 PHE A 11 -16.412 -4.500 -2.264 1.00 0.00 C ATOM 160 CE2 PHE A 11 -14.374 -5.402 -3.243 1.00 0.00 C ATOM 161 CZ PHE A 11 -15.411 -4.452 -3.247 1.00 0.00 C ATOM 0 H PHE A 11 -15.089 -9.267 1.401 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.580 -7.003 0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.900 -8.469 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -16.384 -7.846 -0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -17.165 -5.552 -0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.547 -7.131 -2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -17.199 -3.760 -2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.599 -5.359 -3.994 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.437 -3.685 -4.007 1.00 0.00 H new ATOM 171 N SER A 12 -16.258 -6.337 2.587 1.00 0.00 N ATOM 172 CA SER A 12 -16.967 -5.273 3.278 1.00 0.00 C ATOM 173 C SER A 12 -16.099 -4.654 4.374 1.00 0.00 C ATOM 174 O SER A 12 -16.107 -3.437 4.549 1.00 0.00 O ATOM 175 CB SER A 12 -18.285 -5.815 3.844 1.00 0.00 C ATOM 176 OG SER A 12 -18.998 -6.547 2.855 1.00 0.00 O ATOM 0 H SER A 12 -16.618 -7.272 2.780 1.00 0.00 H new ATOM 0 HA SER A 12 -17.195 -4.480 2.566 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.081 -6.457 4.701 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.898 -4.989 4.204 1.00 0.00 H new ATOM 0 HG SER A 12 -19.834 -6.885 3.238 1.00 0.00 H new ATOM 182 N ALA A 13 -15.312 -5.469 5.081 1.00 0.00 N ATOM 183 CA ALA A 13 -14.361 -4.977 6.062 1.00 0.00 C ATOM 184 C ALA A 13 -13.242 -4.220 5.347 1.00 0.00 C ATOM 185 O ALA A 13 -12.881 -3.116 5.754 1.00 0.00 O ATOM 186 CB ALA A 13 -13.800 -6.142 6.885 1.00 0.00 C ATOM 0 H ALA A 13 -15.321 -6.484 4.985 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.862 -4.294 6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.088 -5.761 7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.615 -6.649 7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.297 -6.846 6.223 1.00 0.00 H new ATOM 192 N GLU A 14 -12.711 -4.794 4.263 1.00 0.00 N ATOM 193 CA GLU A 14 -11.564 -4.235 3.560 1.00 0.00 C ATOM 194 C GLU A 14 -11.894 -2.881 2.942 1.00 0.00 C ATOM 195 O GLU A 14 -11.051 -1.982 2.974 1.00 0.00 O ATOM 196 CB GLU A 14 -11.063 -5.208 2.482 1.00 0.00 C ATOM 197 CG GLU A 14 -10.346 -6.423 3.088 1.00 0.00 C ATOM 198 CD GLU A 14 -9.036 -6.088 3.832 1.00 0.00 C ATOM 199 OE1 GLU A 14 -8.475 -4.986 3.639 1.00 0.00 O ATOM 200 OE2 GLU A 14 -8.562 -6.939 4.621 1.00 0.00 O ATOM 0 H GLU A 14 -13.067 -5.657 3.853 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.770 -4.084 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.906 -5.548 1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.383 -4.685 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.025 -6.921 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.125 -7.133 2.291 1.00 0.00 H new ATOM 207 N THR A 15 -13.108 -2.701 2.421 1.00 0.00 N ATOM 208 CA THR A 15 -13.513 -1.455 1.788 1.00 0.00 C ATOM 209 C THR A 15 -13.876 -0.360 2.804 1.00 0.00 C ATOM 210 O THR A 15 -14.184 0.762 2.398 1.00 0.00 O ATOM 211 CB THR A 15 -14.608 -1.720 0.740 1.00 0.00 C ATOM 212 OG1 THR A 15 -15.668 -2.501 1.249 1.00 0.00 O ATOM 213 CG2 THR A 15 -14.005 -2.434 -0.479 1.00 0.00 C ATOM 0 H THR A 15 -13.835 -3.417 2.428 1.00 0.00 H new ATOM 0 HA THR A 15 -12.653 -1.049 1.255 1.00 0.00 H new ATOM 0 HB THR A 15 -15.014 -0.749 0.455 1.00 0.00 H new ATOM 0 HG1 THR A 15 -15.412 -3.447 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.786 -2.618 -1.216 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.230 -1.808 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.570 -3.383 -0.166 1.00 0.00 H new ATOM 221 N SER A 16 -13.792 -0.642 4.111 1.00 0.00 N ATOM 222 CA SER A 16 -14.289 0.230 5.174 1.00 0.00 C ATOM 223 C SER A 16 -13.149 0.834 6.001 1.00 0.00 C ATOM 224 O SER A 16 -13.296 1.046 7.205 1.00 0.00 O ATOM 225 CB SER A 16 -15.318 -0.522 6.031 1.00 0.00 C ATOM 226 OG SER A 16 -16.430 -0.925 5.258 1.00 0.00 O ATOM 0 H SER A 16 -13.368 -1.501 4.462 1.00 0.00 H new ATOM 0 HA SER A 16 -14.797 1.080 4.719 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.850 -1.397 6.482 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.652 0.118 6.848 1.00 0.00 H new ATOM 0 HG SER A 16 -16.326 -1.865 5.000 1.00 0.00 H new ATOM 232 N GLU A 17 -12.007 1.114 5.361 1.00 0.00 N ATOM 233 CA GLU A 17 -10.824 1.649 6.045 1.00 0.00 C ATOM 234 C GLU A 17 -10.195 2.857 5.336 1.00 0.00 C ATOM 235 O GLU A 17 -9.207 3.404 5.831 1.00 0.00 O ATOM 236 CB GLU A 17 -9.775 0.536 6.226 1.00 0.00 C ATOM 237 CG GLU A 17 -10.273 -0.658 7.053 1.00 0.00 C ATOM 238 CD GLU A 17 -9.128 -1.629 7.388 1.00 0.00 C ATOM 239 OE1 GLU A 17 -8.376 -2.023 6.468 1.00 0.00 O ATOM 240 OE2 GLU A 17 -8.976 -2.011 8.573 1.00 0.00 O ATOM 0 H GLU A 17 -11.877 0.977 4.359 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.165 2.009 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.463 0.181 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.892 0.957 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.728 -0.298 7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.049 -1.186 6.500 1.00 0.00 H new ATOM 247 N GLY A 18 -10.730 3.291 4.192 1.00 0.00 N ATOM 248 CA GLY A 18 -10.105 4.336 3.391 1.00 0.00 C ATOM 249 C GLY A 18 -10.732 4.401 2.012 1.00 0.00 C ATOM 250 O GLY A 18 -11.803 3.829 1.799 1.00 0.00 O ATOM 0 H GLY A 18 -11.600 2.930 3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.214 5.298 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.036 4.142 3.301 1.00 0.00 H new ATOM 254 N VAL A 19 -10.091 5.117 1.086 1.00 0.00 N ATOM 255 CA VAL A 19 -10.438 5.016 -0.326 1.00 0.00 C ATOM 256 C VAL A 19 -9.918 3.644 -0.756 1.00 0.00 C ATOM 257 O VAL A 19 -8.787 3.275 -0.419 1.00 0.00 O ATOM 258 CB VAL A 19 -9.816 6.168 -1.145 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.161 6.065 -2.641 1.00 0.00 C ATOM 260 CG2 VAL A 19 -10.325 7.528 -0.655 1.00 0.00 C ATOM 0 H VAL A 19 -9.333 5.769 1.290 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.511 5.106 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.738 6.084 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.703 6.895 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.782 5.123 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.243 6.103 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.871 8.322 -1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.409 7.570 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.057 7.661 0.393 1.00 0.00 H new ATOM 270 N VAL A 20 -10.722 2.884 -1.493 1.00 0.00 N ATOM 271 CA VAL A 20 -10.382 1.538 -1.913 1.00 0.00 C ATOM 272 C VAL A 20 -10.807 1.391 -3.371 1.00 0.00 C ATOM 273 O VAL A 20 -11.964 1.630 -3.712 1.00 0.00 O ATOM 274 CB VAL A 20 -11.028 0.494 -0.974 1.00 0.00 C ATOM 275 CG1 VAL A 20 -10.540 -0.911 -1.349 1.00 0.00 C ATOM 276 CG2 VAL A 20 -10.701 0.759 0.509 1.00 0.00 C ATOM 0 H VAL A 20 -11.638 3.194 -1.817 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.309 1.358 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.108 0.572 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.997 -1.644 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.820 -1.130 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.456 -0.958 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.177 -0.001 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.622 0.722 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.072 1.744 0.793 1.00 0.00 H new ATOM 286 N LEU A 21 -9.863 1.019 -4.234 1.00 0.00 N ATOM 287 CA LEU A 21 -10.103 0.699 -5.631 1.00 0.00 C ATOM 288 C LEU A 21 -10.287 -0.809 -5.710 1.00 0.00 C ATOM 289 O LEU A 21 -9.312 -1.564 -5.689 1.00 0.00 O ATOM 290 CB LEU A 21 -8.910 1.170 -6.475 1.00 0.00 C ATOM 291 CG LEU A 21 -8.989 0.803 -7.967 1.00 0.00 C ATOM 292 CD1 LEU A 21 -10.213 1.425 -8.647 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.722 1.305 -8.667 1.00 0.00 C ATOM 0 H LEU A 21 -8.882 0.931 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.990 1.200 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.825 2.253 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.998 0.743 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.078 -0.281 -8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.229 1.140 -9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.120 1.068 -8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.162 2.511 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.766 1.051 -9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.650 2.387 -8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.847 0.835 -8.217 1.00 0.00 H new ATOM 305 N ALA A 22 -11.531 -1.264 -5.735 1.00 0.00 N ATOM 306 CA ALA A 22 -11.814 -2.656 -6.013 1.00 0.00 C ATOM 307 C ALA A 22 -11.673 -2.909 -7.511 1.00 0.00 C ATOM 308 O ALA A 22 -11.974 -2.035 -8.327 1.00 0.00 O ATOM 309 CB ALA A 22 -13.223 -2.990 -5.542 1.00 0.00 C ATOM 0 H ALA A 22 -12.356 -0.688 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.108 -3.294 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.438 -4.038 -5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.300 -2.810 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.941 -2.361 -6.068 1.00 0.00 H new ATOM 315 N ASP A 23 -11.290 -4.132 -7.858 1.00 0.00 N ATOM 316 CA ASP A 23 -11.187 -4.627 -9.222 1.00 0.00 C ATOM 317 C ASP A 23 -11.867 -5.989 -9.261 1.00 0.00 C ATOM 318 O ASP A 23 -11.326 -6.996 -8.785 1.00 0.00 O ATOM 319 CB ASP A 23 -9.728 -4.701 -9.676 1.00 0.00 C ATOM 320 CG ASP A 23 -9.593 -5.431 -11.023 1.00 0.00 C ATOM 321 OD1 ASP A 23 -10.432 -5.208 -11.923 1.00 0.00 O ATOM 322 OD2 ASP A 23 -8.614 -6.196 -11.179 1.00 0.00 O ATOM 0 H ASP A 23 -11.032 -4.835 -7.165 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.680 -3.947 -9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.322 -3.693 -9.765 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.136 -5.218 -8.920 1.00 0.00 H new ATOM 327 N PHE A 24 -13.106 -5.973 -9.744 1.00 0.00 N ATOM 328 CA PHE A 24 -13.903 -7.149 -10.027 1.00 0.00 C ATOM 329 C PHE A 24 -13.365 -7.712 -11.338 1.00 0.00 C ATOM 330 O PHE A 24 -13.459 -7.047 -12.376 1.00 0.00 O ATOM 331 CB PHE A 24 -15.391 -6.769 -10.114 1.00 0.00 C ATOM 332 CG PHE A 24 -15.984 -6.335 -8.785 1.00 0.00 C ATOM 333 CD1 PHE A 24 -15.746 -5.037 -8.292 1.00 0.00 C ATOM 334 CD2 PHE A 24 -16.723 -7.249 -8.005 1.00 0.00 C ATOM 335 CE1 PHE A 24 -16.203 -4.674 -7.014 1.00 0.00 C ATOM 336 CE2 PHE A 24 -17.187 -6.880 -6.730 1.00 0.00 C ATOM 337 CZ PHE A 24 -16.910 -5.598 -6.228 1.00 0.00 C ATOM 0 H PHE A 24 -13.596 -5.104 -9.955 1.00 0.00 H new ATOM 0 HA PHE A 24 -13.833 -7.901 -9.241 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -15.510 -5.962 -10.837 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -15.954 -7.622 -10.493 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -15.211 -4.320 -8.897 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -16.933 -8.236 -8.389 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -16.010 -3.681 -6.635 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.756 -7.581 -6.138 1.00 0.00 H new ATOM 0 HZ PHE A 24 -17.241 -5.323 -5.237 1.00 0.00 H new ATOM 347 N TRP A 25 -12.781 -8.909 -11.287 1.00 0.00 N ATOM 348 CA TRP A 25 -12.031 -9.484 -12.403 1.00 0.00 C ATOM 349 C TRP A 25 -12.362 -10.967 -12.569 1.00 0.00 C ATOM 350 O TRP A 25 -13.088 -11.538 -11.753 1.00 0.00 O ATOM 351 CB TRP A 25 -10.524 -9.264 -12.189 1.00 0.00 C ATOM 352 CG TRP A 25 -9.866 -10.145 -11.170 1.00 0.00 C ATOM 353 CD1 TRP A 25 -10.066 -10.085 -9.836 1.00 0.00 C ATOM 354 CD2 TRP A 25 -8.912 -11.235 -11.375 1.00 0.00 C ATOM 355 NE1 TRP A 25 -9.349 -11.081 -9.207 1.00 0.00 N ATOM 356 CE2 TRP A 25 -8.600 -11.808 -10.105 1.00 0.00 C ATOM 357 CE3 TRP A 25 -8.267 -11.791 -12.501 1.00 0.00 C ATOM 358 CZ2 TRP A 25 -7.701 -12.875 -9.960 1.00 0.00 C ATOM 359 CZ3 TRP A 25 -7.354 -12.855 -12.366 1.00 0.00 C ATOM 360 CH2 TRP A 25 -7.077 -13.403 -11.102 1.00 0.00 C ATOM 0 H TRP A 25 -12.815 -9.511 -10.464 1.00 0.00 H new ATOM 0 HA TRP A 25 -12.322 -8.980 -13.325 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -10.018 -9.407 -13.144 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -10.367 -8.226 -11.897 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -10.695 -9.363 -9.335 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -9.371 -11.257 -8.203 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.477 -11.394 -13.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.491 -13.285 -8.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -6.863 -13.253 -13.241 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.386 -14.228 -11.009 1.00 0.00 H new ATOM 371 N ALA A 26 -11.821 -11.592 -13.619 1.00 0.00 N ATOM 372 CA ALA A 26 -11.830 -13.034 -13.818 1.00 0.00 C ATOM 373 C ALA A 26 -10.607 -13.388 -14.676 1.00 0.00 C ATOM 374 O ALA A 26 -10.238 -12.591 -15.544 1.00 0.00 O ATOM 375 CB ALA A 26 -13.119 -13.471 -14.520 1.00 0.00 C ATOM 0 H ALA A 26 -11.353 -11.089 -14.373 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.788 -13.551 -12.859 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.108 -14.552 -14.660 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.978 -13.193 -13.909 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.189 -12.980 -15.490 1.00 0.00 H new ATOM 381 N PRO A 27 -9.979 -14.559 -14.486 1.00 0.00 N ATOM 382 CA PRO A 27 -8.695 -14.872 -15.104 1.00 0.00 C ATOM 383 C PRO A 27 -8.802 -15.159 -16.604 1.00 0.00 C ATOM 384 O PRO A 27 -7.812 -15.022 -17.321 1.00 0.00 O ATOM 385 CB PRO A 27 -8.165 -16.086 -14.333 1.00 0.00 C ATOM 386 CG PRO A 27 -9.433 -16.786 -13.846 1.00 0.00 C ATOM 387 CD PRO A 27 -10.397 -15.627 -13.591 1.00 0.00 C ATOM 0 HA PRO A 27 -8.020 -14.018 -15.045 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.568 -16.737 -14.972 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.528 -15.785 -13.501 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.823 -17.477 -14.593 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.251 -17.365 -12.940 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.427 -15.924 -13.791 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.354 -15.305 -12.551 1.00 0.00 H new ATOM 395 N TRP A 28 -9.983 -15.544 -17.097 1.00 0.00 N ATOM 396 CA TRP A 28 -10.203 -15.852 -18.505 1.00 0.00 C ATOM 397 C TRP A 28 -10.436 -14.589 -19.348 1.00 0.00 C ATOM 398 O TRP A 28 -10.514 -14.684 -20.574 1.00 0.00 O ATOM 399 CB TRP A 28 -11.360 -16.860 -18.614 1.00 0.00 C ATOM 400 CG TRP A 28 -12.573 -16.633 -17.750 1.00 0.00 C ATOM 401 CD1 TRP A 28 -13.217 -15.458 -17.565 1.00 0.00 C ATOM 402 CD2 TRP A 28 -13.300 -17.605 -16.935 1.00 0.00 C ATOM 403 NE1 TRP A 28 -14.307 -15.643 -16.742 1.00 0.00 N ATOM 404 CE2 TRP A 28 -14.392 -16.943 -16.296 1.00 0.00 C ATOM 405 CE3 TRP A 28 -13.142 -18.982 -16.659 1.00 0.00 C ATOM 406 CZ2 TRP A 28 -15.275 -17.608 -15.431 1.00 0.00 C ATOM 407 CZ3 TRP A 28 -14.021 -19.660 -15.792 1.00 0.00 C ATOM 408 CH2 TRP A 28 -15.085 -18.976 -15.177 1.00 0.00 C ATOM 0 H TRP A 28 -10.818 -15.650 -16.521 1.00 0.00 H new ATOM 0 HA TRP A 28 -9.302 -16.305 -18.919 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -11.688 -16.882 -19.653 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -10.965 -17.849 -18.384 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -12.921 -14.514 -17.998 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -14.969 -14.908 -16.494 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.331 -19.525 -17.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -16.091 -17.074 -14.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -13.877 -20.713 -15.598 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -15.754 -19.501 -14.511 1.00 0.00 H new ATOM 419 N CYS A 29 -10.561 -13.411 -18.723 1.00 0.00 N ATOM 420 CA CYS A 29 -10.832 -12.163 -19.418 1.00 0.00 C ATOM 421 C CYS A 29 -9.491 -11.487 -19.722 1.00 0.00 C ATOM 422 O CYS A 29 -8.814 -11.017 -18.805 1.00 0.00 O ATOM 423 CB CYS A 29 -11.751 -11.299 -18.545 1.00 0.00 C ATOM 424 SG CYS A 29 -12.176 -9.759 -19.410 1.00 0.00 S ATOM 0 H CYS A 29 -10.475 -13.305 -17.712 1.00 0.00 H new ATOM 0 HA CYS A 29 -11.348 -12.326 -20.364 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.659 -11.851 -18.304 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.257 -11.070 -17.601 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.200 -9.205 -18.831 1.00 0.00 H new ATOM 430 N GLY A 30 -9.107 -11.431 -21.001 1.00 0.00 N ATOM 431 CA GLY A 30 -7.878 -10.783 -21.459 1.00 0.00 C ATOM 432 C GLY A 30 -7.711 -9.360 -20.913 1.00 0.00 C ATOM 433 O GLY A 30 -6.683 -9.076 -20.302 1.00 0.00 O ATOM 0 H GLY A 30 -9.652 -11.842 -21.759 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.022 -11.385 -21.156 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.875 -10.751 -22.549 1.00 0.00 H new ATOM 437 N PRO A 31 -8.702 -8.460 -21.051 1.00 0.00 N ATOM 438 CA PRO A 31 -8.665 -7.134 -20.444 1.00 0.00 C ATOM 439 C PRO A 31 -8.351 -7.107 -18.939 1.00 0.00 C ATOM 440 O PRO A 31 -7.648 -6.196 -18.502 1.00 0.00 O ATOM 441 CB PRO A 31 -10.015 -6.502 -20.783 1.00 0.00 C ATOM 442 CG PRO A 31 -10.363 -7.135 -22.128 1.00 0.00 C ATOM 443 CD PRO A 31 -9.811 -8.553 -21.992 1.00 0.00 C ATOM 0 HA PRO A 31 -7.828 -6.566 -20.849 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.766 -6.725 -20.026 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.946 -5.416 -20.854 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.438 -7.136 -22.308 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.901 -6.600 -22.958 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.577 -9.237 -21.627 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.475 -8.936 -22.956 1.00 0.00 H new ATOM 451 N CYS A 32 -8.793 -8.090 -18.140 1.00 0.00 N ATOM 452 CA CYS A 32 -8.397 -8.174 -16.730 1.00 0.00 C ATOM 453 C CYS A 32 -6.883 -8.373 -16.584 1.00 0.00 C ATOM 454 O CYS A 32 -6.276 -7.806 -15.676 1.00 0.00 O ATOM 455 CB CYS A 32 -9.130 -9.302 -15.988 1.00 0.00 C ATOM 456 SG CYS A 32 -10.914 -8.984 -15.894 1.00 0.00 S ATOM 0 H CYS A 32 -9.421 -8.833 -18.446 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.680 -7.223 -16.278 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.954 -10.249 -16.498 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.723 -9.402 -14.982 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.430 -9.050 -17.085 1.00 0.00 H new ATOM 462 N LYS A 33 -6.253 -9.148 -17.475 1.00 0.00 N ATOM 463 CA LYS A 33 -4.796 -9.279 -17.491 1.00 0.00 C ATOM 464 C LYS A 33 -4.166 -7.964 -17.942 1.00 0.00 C ATOM 465 O LYS A 33 -3.196 -7.522 -17.333 1.00 0.00 O ATOM 466 CB LYS A 33 -4.339 -10.431 -18.402 1.00 0.00 C ATOM 467 CG LYS A 33 -4.951 -11.784 -18.008 1.00 0.00 C ATOM 468 CD LYS A 33 -4.398 -12.906 -18.898 1.00 0.00 C ATOM 469 CE LYS A 33 -5.048 -14.241 -18.519 1.00 0.00 C ATOM 470 NZ LYS A 33 -4.533 -15.371 -19.331 1.00 0.00 N ATOM 0 H LYS A 33 -6.731 -9.692 -18.193 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.466 -9.512 -16.479 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.610 -10.202 -19.433 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.252 -10.506 -18.367 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.730 -11.999 -16.963 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.036 -11.740 -18.101 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.594 -12.681 -19.946 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.316 -12.973 -18.784 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.867 -14.443 -17.463 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.128 -14.166 -18.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.002 -16.251 -19.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.728 -15.193 -20.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.507 -15.462 -19.188 1.00 0.00 H new ATOM 484 N MET A 34 -4.715 -7.316 -18.976 1.00 0.00 N ATOM 485 CA MET A 34 -4.138 -6.090 -19.526 1.00 0.00 C ATOM 486 C MET A 34 -4.187 -4.935 -18.522 1.00 0.00 C ATOM 487 O MET A 34 -3.270 -4.115 -18.510 1.00 0.00 O ATOM 488 CB MET A 34 -4.821 -5.686 -20.841 1.00 0.00 C ATOM 489 CG MET A 34 -4.579 -6.715 -21.956 1.00 0.00 C ATOM 490 SD MET A 34 -5.019 -6.167 -23.632 1.00 0.00 S ATOM 491 CE MET A 34 -6.825 -6.065 -23.511 1.00 0.00 C ATOM 0 H MET A 34 -5.564 -7.625 -19.449 1.00 0.00 H new ATOM 0 HA MET A 34 -3.091 -6.305 -19.737 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.893 -5.578 -20.674 1.00 0.00 H new ATOM 0 HB3 MET A 34 -4.448 -4.713 -21.159 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.525 -6.993 -21.948 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.148 -7.616 -21.726 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.236 -5.740 -24.467 1.00 0.00 H new ATOM 0 HE2 MET A 34 -7.229 -7.045 -23.257 1.00 0.00 H new ATOM 0 HE3 MET A 34 -7.098 -5.348 -22.736 1.00 0.00 H new ATOM 501 N ILE A 35 -5.216 -4.855 -17.670 1.00 0.00 N ATOM 502 CA ILE A 35 -5.319 -3.786 -16.675 1.00 0.00 C ATOM 503 C ILE A 35 -4.480 -4.088 -15.421 1.00 0.00 C ATOM 504 O ILE A 35 -4.203 -3.172 -14.649 1.00 0.00 O ATOM 505 CB ILE A 35 -6.806 -3.458 -16.393 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.955 -2.012 -15.869 1.00 0.00 C ATOM 507 CG2 ILE A 35 -7.477 -4.483 -15.466 1.00 0.00 C ATOM 508 CD1 ILE A 35 -8.411 -1.566 -15.695 1.00 0.00 C ATOM 0 H ILE A 35 -5.989 -5.520 -17.651 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.879 -2.874 -17.080 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.339 -3.529 -17.341 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.442 -1.927 -14.911 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.456 -1.332 -16.559 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.517 -4.201 -15.304 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.436 -5.471 -15.925 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.954 -4.506 -14.510 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.436 -0.541 -15.324 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.924 -1.617 -16.655 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.910 -2.222 -14.982 1.00 0.00 H new ATOM 520 N ALA A 36 -4.030 -5.332 -15.205 1.00 0.00 N ATOM 521 CA ALA A 36 -3.213 -5.685 -14.044 1.00 0.00 C ATOM 522 C ALA A 36 -1.952 -4.807 -13.894 1.00 0.00 C ATOM 523 O ALA A 36 -1.763 -4.261 -12.806 1.00 0.00 O ATOM 524 CB ALA A 36 -2.878 -7.181 -14.046 1.00 0.00 C ATOM 0 H ALA A 36 -4.223 -6.116 -15.829 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.816 -5.475 -13.161 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.270 -7.419 -13.173 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.801 -7.761 -14.014 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.325 -7.429 -14.952 1.00 0.00 H new ATOM 530 N PRO A 37 -1.115 -4.578 -14.929 1.00 0.00 N ATOM 531 CA PRO A 37 0.023 -3.675 -14.790 1.00 0.00 C ATOM 532 C PRO A 37 -0.408 -2.226 -14.543 1.00 0.00 C ATOM 533 O PRO A 37 0.314 -1.497 -13.869 1.00 0.00 O ATOM 534 CB PRO A 37 0.853 -3.827 -16.069 1.00 0.00 C ATOM 535 CG PRO A 37 -0.147 -4.368 -17.089 1.00 0.00 C ATOM 536 CD PRO A 37 -1.073 -5.225 -16.231 1.00 0.00 C ATOM 0 HA PRO A 37 0.616 -3.935 -13.913 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.274 -2.874 -16.388 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.688 -4.512 -15.925 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.688 -3.565 -17.591 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.344 -4.955 -17.865 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.069 -5.286 -16.670 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.698 -6.245 -16.149 1.00 0.00 H new ATOM 544 N VAL A 38 -1.580 -1.794 -15.025 1.00 0.00 N ATOM 545 CA VAL A 38 -2.102 -0.468 -14.716 1.00 0.00 C ATOM 546 C VAL A 38 -2.424 -0.381 -13.220 1.00 0.00 C ATOM 547 O VAL A 38 -2.133 0.632 -12.586 1.00 0.00 O ATOM 548 CB VAL A 38 -3.336 -0.132 -15.582 1.00 0.00 C ATOM 549 CG1 VAL A 38 -3.706 1.344 -15.415 1.00 0.00 C ATOM 550 CG2 VAL A 38 -3.090 -0.397 -17.077 1.00 0.00 C ATOM 0 H VAL A 38 -2.182 -2.350 -15.632 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.341 0.275 -14.954 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.144 -0.779 -15.241 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.577 1.572 -16.029 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.937 1.545 -14.369 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.868 1.967 -15.728 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.987 -0.145 -17.643 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.258 0.216 -17.423 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.851 -1.450 -17.225 1.00 0.00 H new ATOM 560 N LEU A 39 -2.987 -1.438 -12.631 1.00 0.00 N ATOM 561 CA LEU A 39 -3.254 -1.484 -11.201 1.00 0.00 C ATOM 562 C LEU A 39 -1.950 -1.521 -10.405 1.00 0.00 C ATOM 563 O LEU A 39 -1.898 -0.927 -9.334 1.00 0.00 O ATOM 564 CB LEU A 39 -4.170 -2.666 -10.858 1.00 0.00 C ATOM 565 CG LEU A 39 -5.605 -2.469 -11.389 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.364 -3.792 -11.334 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.379 -1.410 -10.592 1.00 0.00 C ATOM 0 H LEU A 39 -3.268 -2.280 -13.133 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.779 -0.572 -10.917 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.752 -3.581 -11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.200 -2.797 -9.776 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.523 -2.120 -12.419 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.377 -3.646 -11.710 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.851 -4.532 -11.949 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.407 -4.144 -10.303 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.383 -1.307 -11.003 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.444 -1.716 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.860 -0.454 -10.658 1.00 0.00 H new ATOM 579 N GLU A 40 -0.888 -2.150 -10.914 1.00 0.00 N ATOM 580 CA GLU A 40 0.430 -2.078 -10.282 1.00 0.00 C ATOM 581 C GLU A 40 1.032 -0.668 -10.389 1.00 0.00 C ATOM 582 O GLU A 40 1.690 -0.200 -9.457 1.00 0.00 O ATOM 583 CB GLU A 40 1.386 -3.128 -10.868 1.00 0.00 C ATOM 584 CG GLU A 40 0.988 -4.556 -10.465 1.00 0.00 C ATOM 585 CD GLU A 40 2.003 -5.591 -10.980 1.00 0.00 C ATOM 586 OE1 GLU A 40 2.984 -5.895 -10.263 1.00 0.00 O ATOM 587 OE2 GLU A 40 1.825 -6.129 -12.096 1.00 0.00 O ATOM 0 H GLU A 40 -0.916 -2.715 -11.763 1.00 0.00 H new ATOM 0 HA GLU A 40 0.294 -2.299 -9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.392 -3.046 -11.955 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.401 -2.925 -10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.918 -4.623 -9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.001 -4.785 -10.863 1.00 0.00 H new ATOM 594 N GLU A 41 0.810 0.045 -11.496 1.00 0.00 N ATOM 595 CA GLU A 41 1.185 1.449 -11.612 1.00 0.00 C ATOM 596 C GLU A 41 0.422 2.266 -10.572 1.00 0.00 C ATOM 597 O GLU A 41 1.033 3.046 -9.848 1.00 0.00 O ATOM 598 CB GLU A 41 0.969 1.981 -13.039 1.00 0.00 C ATOM 599 CG GLU A 41 2.054 1.505 -14.017 1.00 0.00 C ATOM 600 CD GLU A 41 3.441 2.068 -13.668 1.00 0.00 C ATOM 601 OE1 GLU A 41 3.633 3.300 -13.787 1.00 0.00 O ATOM 602 OE2 GLU A 41 4.331 1.280 -13.275 1.00 0.00 O ATOM 0 H GLU A 41 0.367 -0.336 -12.332 1.00 0.00 H new ATOM 0 HA GLU A 41 2.252 1.547 -11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.007 1.657 -13.400 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.956 3.071 -13.019 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.094 0.416 -14.010 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.786 1.807 -15.029 1.00 0.00 H new ATOM 609 N LEU A 42 -0.882 2.041 -10.418 1.00 0.00 N ATOM 610 CA LEU A 42 -1.675 2.687 -9.381 1.00 0.00 C ATOM 611 C LEU A 42 -1.178 2.320 -7.987 1.00 0.00 C ATOM 612 O LEU A 42 -1.187 3.171 -7.103 1.00 0.00 O ATOM 613 CB LEU A 42 -3.160 2.319 -9.537 1.00 0.00 C ATOM 614 CG LEU A 42 -4.027 3.410 -10.180 1.00 0.00 C ATOM 615 CD1 LEU A 42 -4.188 4.620 -9.253 1.00 0.00 C ATOM 616 CD2 LEU A 42 -3.498 3.866 -11.548 1.00 0.00 C ATOM 0 H LEU A 42 -1.416 1.405 -11.010 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.564 3.765 -9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.235 1.413 -10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.567 2.083 -8.554 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.004 2.954 -10.342 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.808 5.372 -9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.663 4.306 -8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.208 5.044 -9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.153 4.638 -11.952 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.491 4.267 -11.433 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.474 3.016 -12.231 1.00 0.00 H new ATOM 628 N ASP A 43 -0.724 1.087 -7.769 1.00 0.00 N ATOM 629 CA ASP A 43 -0.204 0.669 -6.474 1.00 0.00 C ATOM 630 C ASP A 43 1.085 1.423 -6.140 1.00 0.00 C ATOM 631 O ASP A 43 1.298 1.810 -4.990 1.00 0.00 O ATOM 632 CB ASP A 43 0.050 -0.840 -6.413 1.00 0.00 C ATOM 633 CG ASP A 43 0.660 -1.185 -5.052 1.00 0.00 C ATOM 634 OD1 ASP A 43 -0.058 -1.128 -4.030 1.00 0.00 O ATOM 635 OD2 ASP A 43 1.884 -1.430 -4.976 1.00 0.00 O ATOM 0 H ASP A 43 -0.707 0.357 -8.481 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.968 0.910 -5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.883 -1.385 -6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.723 -1.142 -7.215 1.00 0.00 H new ATOM 640 N GLN A 44 1.931 1.673 -7.141 1.00 0.00 N ATOM 641 CA GLN A 44 3.150 2.450 -6.973 1.00 0.00 C ATOM 642 C GLN A 44 2.834 3.934 -6.743 1.00 0.00 C ATOM 643 O GLN A 44 3.411 4.568 -5.857 1.00 0.00 O ATOM 644 CB GLN A 44 4.021 2.282 -8.226 1.00 0.00 C ATOM 645 CG GLN A 44 4.684 0.900 -8.330 1.00 0.00 C ATOM 646 CD GLN A 44 5.197 0.690 -9.753 1.00 0.00 C ATOM 647 OE1 GLN A 44 6.351 0.970 -10.073 1.00 0.00 O ATOM 648 NE2 GLN A 44 4.328 0.244 -10.642 1.00 0.00 N ATOM 0 H GLN A 44 1.785 1.339 -8.093 1.00 0.00 H new ATOM 0 HA GLN A 44 3.685 2.087 -6.095 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.407 2.449 -9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.796 3.049 -8.226 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.508 0.825 -7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.968 0.120 -8.071 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.376 0.018 -10.355 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.609 0.126 -11.615 1.00 0.00 H new ATOM 657 N GLU A 45 1.929 4.490 -7.547 1.00 0.00 N ATOM 658 CA GLU A 45 1.655 5.926 -7.618 1.00 0.00 C ATOM 659 C GLU A 45 0.751 6.390 -6.467 1.00 0.00 C ATOM 660 O GLU A 45 0.882 7.521 -5.988 1.00 0.00 O ATOM 661 CB GLU A 45 0.967 6.227 -8.966 1.00 0.00 C ATOM 662 CG GLU A 45 1.855 6.006 -10.208 1.00 0.00 C ATOM 663 CD GLU A 45 2.756 7.191 -10.591 1.00 0.00 C ATOM 664 OE1 GLU A 45 3.263 7.920 -9.708 1.00 0.00 O ATOM 665 OE2 GLU A 45 2.992 7.371 -11.809 1.00 0.00 O ATOM 0 H GLU A 45 1.351 3.941 -8.183 1.00 0.00 H new ATOM 0 HA GLU A 45 2.599 6.465 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.081 5.599 -9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.625 7.262 -8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.485 5.134 -10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.212 5.770 -11.056 1.00 0.00 H new ATOM 672 N MET A 46 -0.170 5.528 -6.021 1.00 0.00 N ATOM 673 CA MET A 46 -1.250 5.884 -5.105 1.00 0.00 C ATOM 674 C MET A 46 -1.534 4.819 -4.037 1.00 0.00 C ATOM 675 O MET A 46 -2.291 5.119 -3.114 1.00 0.00 O ATOM 676 CB MET A 46 -2.543 6.161 -5.899 1.00 0.00 C ATOM 677 CG MET A 46 -2.500 7.326 -6.893 1.00 0.00 C ATOM 678 SD MET A 46 -2.501 8.962 -6.111 1.00 0.00 S ATOM 679 CE MET A 46 -2.586 10.001 -7.593 1.00 0.00 C ATOM 0 H MET A 46 -0.182 4.545 -6.294 1.00 0.00 H new ATOM 0 HA MET A 46 -0.915 6.778 -4.579 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.808 5.256 -6.446 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.346 6.350 -5.187 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.607 7.230 -7.511 1.00 0.00 H new ATOM 0 HG3 MET A 46 -3.359 7.253 -7.560 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.596 11.051 -7.301 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.718 9.807 -8.223 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.496 9.770 -8.147 1.00 0.00 H new ATOM 689 N GLY A 47 -0.947 3.617 -4.112 1.00 0.00 N ATOM 690 CA GLY A 47 -1.276 2.440 -3.297 1.00 0.00 C ATOM 691 C GLY A 47 -0.766 2.501 -1.858 1.00 0.00 C ATOM 692 O GLY A 47 -0.132 1.561 -1.377 1.00 0.00 O ATOM 0 H GLY A 47 -0.194 3.430 -4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.359 2.317 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.862 1.554 -3.778 1.00 0.00 H new ATOM 696 N ASP A 48 -1.005 3.625 -1.201 1.00 0.00 N ATOM 697 CA ASP A 48 -0.837 3.888 0.220 1.00 0.00 C ATOM 698 C ASP A 48 -1.860 4.959 0.617 1.00 0.00 C ATOM 699 O ASP A 48 -2.517 4.845 1.652 1.00 0.00 O ATOM 700 CB ASP A 48 0.582 4.381 0.514 1.00 0.00 C ATOM 701 CG ASP A 48 0.710 4.830 1.978 1.00 0.00 C ATOM 702 OD1 ASP A 48 0.769 3.964 2.879 1.00 0.00 O ATOM 703 OD2 ASP A 48 0.772 6.053 2.234 1.00 0.00 O ATOM 0 H ASP A 48 -1.352 4.449 -1.692 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.994 2.974 0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.298 3.585 0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.828 5.211 -0.149 1.00 0.00 H new ATOM 708 N LYS A 49 -2.060 5.959 -0.256 1.00 0.00 N ATOM 709 CA LYS A 49 -3.144 6.934 -0.163 1.00 0.00 C ATOM 710 C LYS A 49 -4.503 6.250 -0.344 1.00 0.00 C ATOM 711 O LYS A 49 -5.481 6.683 0.267 1.00 0.00 O ATOM 712 CB LYS A 49 -2.930 8.057 -1.199 1.00 0.00 C ATOM 713 CG LYS A 49 -1.713 8.940 -0.848 1.00 0.00 C ATOM 714 CD LYS A 49 -1.198 9.811 -2.008 1.00 0.00 C ATOM 715 CE LYS A 49 -0.562 8.931 -3.096 1.00 0.00 C ATOM 716 NZ LYS A 49 0.141 9.697 -4.157 1.00 0.00 N ATOM 0 H LYS A 49 -1.455 6.110 -1.063 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.137 7.383 0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.787 7.618 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.825 8.677 -1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.980 9.589 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.902 8.298 -0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.021 10.387 -2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.465 10.527 -1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.145 8.246 -2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.339 8.321 -3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.470 9.044 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.511 10.392 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.957 10.192 -3.745 1.00 0.00 H new ATOM 730 N LEU A 50 -4.564 5.167 -1.127 1.00 0.00 N ATOM 731 CA LEU A 50 -5.706 4.271 -1.243 1.00 0.00 C ATOM 732 C LEU A 50 -5.243 2.815 -1.182 1.00 0.00 C ATOM 733 O LEU A 50 -4.060 2.523 -1.367 1.00 0.00 O ATOM 734 CB LEU A 50 -6.537 4.596 -2.503 1.00 0.00 C ATOM 735 CG LEU A 50 -6.337 3.728 -3.764 1.00 0.00 C ATOM 736 CD1 LEU A 50 -7.454 4.037 -4.762 1.00 0.00 C ATOM 737 CD2 LEU A 50 -4.983 3.956 -4.423 1.00 0.00 C ATOM 0 H LEU A 50 -3.783 4.885 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.374 4.425 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.590 4.542 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.332 5.631 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.370 2.683 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.321 3.428 -5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.419 3.811 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.419 5.092 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.896 3.321 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.894 5.001 -4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.189 3.709 -3.718 1.00 0.00 H new ATOM 749 N LYS A 51 -6.186 1.901 -0.953 1.00 0.00 N ATOM 750 CA LYS A 51 -5.974 0.452 -1.010 1.00 0.00 C ATOM 751 C LYS A 51 -6.473 -0.051 -2.368 1.00 0.00 C ATOM 752 O LYS A 51 -7.411 0.529 -2.911 1.00 0.00 O ATOM 753 CB LYS A 51 -6.768 -0.156 0.160 1.00 0.00 C ATOM 754 CG LYS A 51 -6.562 -1.662 0.381 1.00 0.00 C ATOM 755 CD LYS A 51 -7.562 -2.230 1.400 1.00 0.00 C ATOM 756 CE LYS A 51 -7.443 -1.596 2.797 1.00 0.00 C ATOM 757 NZ LYS A 51 -8.365 -2.253 3.744 1.00 0.00 N ATOM 0 H LYS A 51 -7.145 2.154 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.925 0.170 -0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.494 0.369 1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.829 0.028 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.672 -2.187 -0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.545 -1.843 0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.575 -2.079 1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.411 -3.306 1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.418 -1.685 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.669 -0.531 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.212 -1.871 4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.347 -2.074 3.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.187 -3.278 3.748 1.00 0.00 H new ATOM 771 N ILE A 52 -5.932 -1.146 -2.900 1.00 0.00 N ATOM 772 CA ILE A 52 -6.458 -1.794 -4.107 1.00 0.00 C ATOM 773 C ILE A 52 -6.873 -3.196 -3.669 1.00 0.00 C ATOM 774 O ILE A 52 -6.115 -3.825 -2.932 1.00 0.00 O ATOM 775 CB ILE A 52 -5.413 -1.798 -5.253 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.881 -0.366 -5.512 1.00 0.00 C ATOM 777 CG2 ILE A 52 -6.001 -2.430 -6.535 1.00 0.00 C ATOM 778 CD1 ILE A 52 -3.965 -0.220 -6.731 1.00 0.00 C ATOM 0 H ILE A 52 -5.114 -1.612 -2.507 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.310 -1.256 -4.522 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.568 -2.414 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.732 0.304 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.338 -0.032 -4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.248 -2.421 -7.323 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.299 -3.458 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.871 -1.857 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.647 0.818 -6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.090 -0.858 -6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.505 -0.517 -7.630 1.00 0.00 H new ATOM 790 N VAL A 53 -8.039 -3.691 -4.096 1.00 0.00 N ATOM 791 CA VAL A 53 -8.562 -4.991 -3.665 1.00 0.00 C ATOM 792 C VAL A 53 -9.045 -5.761 -4.896 1.00 0.00 C ATOM 793 O VAL A 53 -9.977 -5.339 -5.582 1.00 0.00 O ATOM 794 CB VAL A 53 -9.702 -4.817 -2.631 1.00 0.00 C ATOM 795 CG1 VAL A 53 -10.292 -6.158 -2.169 1.00 0.00 C ATOM 796 CG2 VAL A 53 -9.258 -4.070 -1.364 1.00 0.00 C ATOM 0 H VAL A 53 -8.648 -3.201 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.770 -5.556 -3.174 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.451 -4.234 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.086 -5.976 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.699 -6.692 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.510 -6.759 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.102 -3.981 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.454 -4.623 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.903 -3.075 -1.634 1.00 0.00 H new ATOM 806 N LYS A 54 -8.435 -6.909 -5.177 1.00 0.00 N ATOM 807 CA LYS A 54 -8.931 -7.845 -6.181 1.00 0.00 C ATOM 808 C LYS A 54 -10.124 -8.609 -5.630 1.00 0.00 C ATOM 809 O LYS A 54 -10.113 -8.984 -4.454 1.00 0.00 O ATOM 810 CB LYS A 54 -7.826 -8.854 -6.521 1.00 0.00 C ATOM 811 CG LYS A 54 -6.623 -8.241 -7.241 1.00 0.00 C ATOM 812 CD LYS A 54 -7.052 -7.687 -8.603 1.00 0.00 C ATOM 813 CE LYS A 54 -5.819 -7.336 -9.429 1.00 0.00 C ATOM 814 NZ LYS A 54 -6.137 -7.311 -10.877 1.00 0.00 N ATOM 0 H LYS A 54 -7.580 -7.217 -4.713 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.226 -7.288 -7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.483 -9.326 -5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.247 -9.642 -7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.193 -7.444 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.846 -8.994 -7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.657 -8.424 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.674 -6.802 -8.467 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.436 -6.363 -9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.031 -8.064 -9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.285 -7.053 -11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.464 -8.251 -11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.885 -6.611 -11.056 1.00 0.00 H new ATOM 828 N ILE A 55 -11.092 -8.922 -6.493 1.00 0.00 N ATOM 829 CA ILE A 55 -12.179 -9.835 -6.171 1.00 0.00 C ATOM 830 C ILE A 55 -12.607 -10.565 -7.458 1.00 0.00 C ATOM 831 O ILE A 55 -12.960 -9.942 -8.461 1.00 0.00 O ATOM 832 CB ILE A 55 -13.289 -9.066 -5.410 1.00 0.00 C ATOM 833 CG1 ILE A 55 -14.425 -10.025 -5.008 1.00 0.00 C ATOM 834 CG2 ILE A 55 -13.814 -7.826 -6.157 1.00 0.00 C ATOM 835 CD1 ILE A 55 -15.337 -9.461 -3.913 1.00 0.00 C ATOM 0 H ILE A 55 -11.140 -8.545 -7.439 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.878 -10.625 -5.483 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.830 -8.669 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -15.025 -10.255 -5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.993 -10.964 -4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -14.588 -7.342 -5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.994 -7.127 -6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -14.232 -8.129 -7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.115 -10.187 -3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -14.748 -9.257 -3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.797 -8.537 -4.263 1.00 0.00 H new ATOM 847 N ASP A 56 -12.485 -11.897 -7.468 1.00 0.00 N ATOM 848 CA ASP A 56 -12.800 -12.731 -8.633 1.00 0.00 C ATOM 849 C ASP A 56 -14.308 -12.977 -8.666 1.00 0.00 C ATOM 850 O ASP A 56 -14.842 -13.576 -7.728 1.00 0.00 O ATOM 851 CB ASP A 56 -12.037 -14.062 -8.554 1.00 0.00 C ATOM 852 CG ASP A 56 -12.253 -14.986 -9.773 1.00 0.00 C ATOM 853 OD1 ASP A 56 -13.261 -14.860 -10.503 1.00 0.00 O ATOM 854 OD2 ASP A 56 -11.388 -15.866 -9.987 1.00 0.00 O ATOM 0 H ASP A 56 -12.162 -12.431 -6.661 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.495 -12.222 -9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.972 -13.853 -8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.343 -14.591 -7.652 1.00 0.00 H new ATOM 859 N VAL A 57 -15.008 -12.506 -9.700 1.00 0.00 N ATOM 860 CA VAL A 57 -16.468 -12.585 -9.763 1.00 0.00 C ATOM 861 C VAL A 57 -16.991 -14.025 -9.765 1.00 0.00 C ATOM 862 O VAL A 57 -18.113 -14.249 -9.312 1.00 0.00 O ATOM 863 CB VAL A 57 -17.033 -11.784 -10.955 1.00 0.00 C ATOM 864 CG1 VAL A 57 -16.665 -10.300 -10.829 1.00 0.00 C ATOM 865 CG2 VAL A 57 -16.586 -12.311 -12.329 1.00 0.00 C ATOM 0 H VAL A 57 -14.581 -12.061 -10.513 1.00 0.00 H new ATOM 0 HA VAL A 57 -16.833 -12.124 -8.845 1.00 0.00 H new ATOM 0 HB VAL A 57 -18.115 -11.911 -10.908 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -17.072 -9.751 -11.678 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.081 -9.899 -9.905 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -15.580 -10.194 -10.814 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -17.024 -11.696 -13.115 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.499 -12.269 -12.399 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -16.917 -13.343 -12.448 1.00 0.00 H new ATOM 875 N ASP A 58 -16.210 -15.009 -10.224 1.00 0.00 N ATOM 876 CA ASP A 58 -16.674 -16.397 -10.291 1.00 0.00 C ATOM 877 C ASP A 58 -16.911 -16.963 -8.889 1.00 0.00 C ATOM 878 O ASP A 58 -17.812 -17.776 -8.683 1.00 0.00 O ATOM 879 CB ASP A 58 -15.670 -17.275 -11.043 1.00 0.00 C ATOM 880 CG ASP A 58 -16.165 -18.730 -11.118 1.00 0.00 C ATOM 881 OD1 ASP A 58 -17.157 -18.999 -11.831 1.00 0.00 O ATOM 882 OD2 ASP A 58 -15.543 -19.619 -10.493 1.00 0.00 O ATOM 0 H ASP A 58 -15.255 -14.869 -10.554 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.619 -16.402 -10.835 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.521 -16.884 -12.050 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.703 -17.241 -10.541 1.00 0.00 H new ATOM 887 N GLU A 59 -16.154 -16.477 -7.903 1.00 0.00 N ATOM 888 CA GLU A 59 -16.249 -16.899 -6.508 1.00 0.00 C ATOM 889 C GLU A 59 -17.047 -15.881 -5.678 1.00 0.00 C ATOM 890 O GLU A 59 -17.289 -16.115 -4.493 1.00 0.00 O ATOM 891 CB GLU A 59 -14.834 -17.090 -5.933 1.00 0.00 C ATOM 892 CG GLU A 59 -14.061 -18.218 -6.631 1.00 0.00 C ATOM 893 CD GLU A 59 -12.736 -18.524 -5.909 1.00 0.00 C ATOM 894 OE1 GLU A 59 -11.716 -17.847 -6.173 1.00 0.00 O ATOM 895 OE2 GLU A 59 -12.694 -19.463 -5.080 1.00 0.00 O ATOM 0 H GLU A 59 -15.442 -15.763 -8.058 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.783 -17.848 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.277 -16.158 -6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.905 -17.308 -4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.676 -19.117 -6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.857 -17.936 -7.664 1.00 0.00 H new ATOM 902 N ASN A 60 -17.472 -14.764 -6.282 1.00 0.00 N ATOM 903 CA ASN A 60 -18.030 -13.601 -5.588 1.00 0.00 C ATOM 904 C ASN A 60 -19.181 -13.014 -6.399 1.00 0.00 C ATOM 905 O ASN A 60 -19.292 -11.798 -6.583 1.00 0.00 O ATOM 906 CB ASN A 60 -16.927 -12.571 -5.323 1.00 0.00 C ATOM 907 CG ASN A 60 -15.869 -13.154 -4.403 1.00 0.00 C ATOM 908 OD1 ASN A 60 -16.098 -13.313 -3.212 1.00 0.00 O ATOM 909 ND2 ASN A 60 -14.714 -13.526 -4.930 1.00 0.00 N ATOM 0 H ASN A 60 -17.435 -14.643 -7.294 1.00 0.00 H new ATOM 0 HA ASN A 60 -18.432 -13.906 -4.622 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -16.471 -12.266 -6.265 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -17.357 -11.676 -4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.999 -13.953 -4.341 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.539 -13.386 -5.925 1.00 0.00 H new ATOM 916 N GLN A 61 -20.026 -13.908 -6.910 1.00 0.00 N ATOM 917 CA GLN A 61 -21.168 -13.585 -7.750 1.00 0.00 C ATOM 918 C GLN A 61 -22.093 -12.638 -6.981 1.00 0.00 C ATOM 919 O GLN A 61 -22.590 -11.655 -7.530 1.00 0.00 O ATOM 920 CB GLN A 61 -21.931 -14.865 -8.168 1.00 0.00 C ATOM 921 CG GLN A 61 -21.150 -16.201 -8.204 1.00 0.00 C ATOM 922 CD GLN A 61 -20.879 -16.783 -6.807 1.00 0.00 C ATOM 923 OE1 GLN A 61 -21.654 -16.610 -5.872 1.00 0.00 O ATOM 924 NE2 GLN A 61 -19.735 -17.410 -6.595 1.00 0.00 N ATOM 0 H GLN A 61 -19.927 -14.909 -6.742 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.817 -13.101 -8.661 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -22.772 -14.989 -7.486 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -22.348 -14.696 -9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.713 -16.928 -8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.200 -16.045 -8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -19.084 -17.559 -7.366 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -19.503 -17.745 -5.660 1.00 0.00 H new ATOM 933 N GLU A 62 -22.281 -12.922 -5.686 1.00 0.00 N ATOM 934 CA GLU A 62 -23.127 -12.142 -4.800 1.00 0.00 C ATOM 935 C GLU A 62 -22.566 -10.731 -4.629 1.00 0.00 C ATOM 936 O GLU A 62 -23.329 -9.771 -4.689 1.00 0.00 O ATOM 937 CB GLU A 62 -23.244 -12.851 -3.443 1.00 0.00 C ATOM 938 CG GLU A 62 -24.077 -14.138 -3.538 1.00 0.00 C ATOM 939 CD GLU A 62 -24.269 -14.795 -2.160 1.00 0.00 C ATOM 940 OE1 GLU A 62 -23.437 -15.640 -1.757 1.00 0.00 O ATOM 941 OE2 GLU A 62 -25.271 -14.495 -1.470 1.00 0.00 O ATOM 0 H GLU A 62 -21.837 -13.716 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 62 -24.121 -12.056 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.248 -13.090 -3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.700 -12.176 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.051 -13.910 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.585 -14.841 -4.211 1.00 0.00 H new ATOM 948 N THR A 63 -21.251 -10.579 -4.453 1.00 0.00 N ATOM 949 CA THR A 63 -20.647 -9.272 -4.230 1.00 0.00 C ATOM 950 C THR A 63 -20.733 -8.430 -5.493 1.00 0.00 C ATOM 951 O THR A 63 -21.104 -7.269 -5.413 1.00 0.00 O ATOM 952 CB THR A 63 -19.191 -9.395 -3.777 1.00 0.00 C ATOM 953 OG1 THR A 63 -19.008 -10.587 -3.057 1.00 0.00 O ATOM 954 CG2 THR A 63 -18.722 -8.232 -2.900 1.00 0.00 C ATOM 0 H THR A 63 -20.585 -11.352 -4.462 1.00 0.00 H new ATOM 0 HA THR A 63 -21.204 -8.781 -3.433 1.00 0.00 H new ATOM 0 HB THR A 63 -18.596 -9.385 -4.690 1.00 0.00 H new ATOM 0 HG1 THR A 63 -19.664 -10.634 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.681 -8.387 -2.617 1.00 0.00 H new ATOM 0 HG22 THR A 63 -18.812 -7.298 -3.455 1.00 0.00 H new ATOM 0 HG23 THR A 63 -19.339 -8.181 -2.003 1.00 0.00 H new ATOM 962 N ALA A 64 -20.441 -8.990 -6.666 1.00 0.00 N ATOM 963 CA ALA A 64 -20.577 -8.237 -7.902 1.00 0.00 C ATOM 964 C ALA A 64 -22.051 -7.837 -8.096 1.00 0.00 C ATOM 965 O ALA A 64 -22.358 -6.664 -8.336 1.00 0.00 O ATOM 966 CB ALA A 64 -20.027 -9.084 -9.053 1.00 0.00 C ATOM 0 H ALA A 64 -20.114 -9.949 -6.782 1.00 0.00 H new ATOM 0 HA ALA A 64 -20.002 -7.312 -7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.122 -8.532 -9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.976 -9.309 -8.869 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.591 -10.014 -9.122 1.00 0.00 H new ATOM 972 N GLY A 65 -22.975 -8.778 -7.875 1.00 0.00 N ATOM 973 CA GLY A 65 -24.411 -8.536 -7.910 1.00 0.00 C ATOM 974 C GLY A 65 -24.852 -7.447 -6.924 1.00 0.00 C ATOM 975 O GLY A 65 -25.818 -6.734 -7.197 1.00 0.00 O ATOM 0 H GLY A 65 -22.735 -9.746 -7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -24.702 -8.246 -8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -24.937 -9.463 -7.681 1.00 0.00 H new ATOM 979 N LYS A 66 -24.115 -7.254 -5.823 1.00 0.00 N ATOM 980 CA LYS A 66 -24.368 -6.244 -4.792 1.00 0.00 C ATOM 981 C LYS A 66 -24.368 -4.823 -5.370 1.00 0.00 C ATOM 982 O LYS A 66 -24.975 -3.935 -4.768 1.00 0.00 O ATOM 983 CB LYS A 66 -23.319 -6.390 -3.669 1.00 0.00 C ATOM 984 CG LYS A 66 -23.844 -6.015 -2.274 1.00 0.00 C ATOM 985 CD LYS A 66 -22.795 -6.243 -1.168 1.00 0.00 C ATOM 986 CE LYS A 66 -22.428 -7.734 -1.016 1.00 0.00 C ATOM 987 NZ LYS A 66 -21.497 -8.021 0.101 1.00 0.00 N ATOM 0 H LYS A 66 -23.292 -7.822 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.363 -6.410 -4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -22.964 -7.421 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.460 -5.762 -3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.147 -4.968 -2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.734 -6.605 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -21.896 -5.670 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.180 -5.866 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -23.343 -8.308 -0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.980 -8.083 -1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.038 -8.941 -0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.772 -7.277 0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.026 -8.047 0.996 1.00 0.00 H new ATOM 1001 N TYR A 67 -23.745 -4.611 -6.535 1.00 0.00 N ATOM 1002 CA TYR A 67 -23.657 -3.314 -7.208 1.00 0.00 C ATOM 1003 C TYR A 67 -24.155 -3.420 -8.659 1.00 0.00 C ATOM 1004 O TYR A 67 -23.919 -2.513 -9.460 1.00 0.00 O ATOM 1005 CB TYR A 67 -22.216 -2.775 -7.124 1.00 0.00 C ATOM 1006 CG TYR A 67 -21.472 -3.135 -5.850 1.00 0.00 C ATOM 1007 CD1 TYR A 67 -21.736 -2.473 -4.635 1.00 0.00 C ATOM 1008 CD2 TYR A 67 -20.579 -4.219 -5.873 1.00 0.00 C ATOM 1009 CE1 TYR A 67 -21.110 -2.897 -3.449 1.00 0.00 C ATOM 1010 CE2 TYR A 67 -19.963 -4.658 -4.694 1.00 0.00 C ATOM 1011 CZ TYR A 67 -20.229 -4.003 -3.470 1.00 0.00 C ATOM 1012 OH TYR A 67 -19.688 -4.451 -2.304 1.00 0.00 O ATOM 0 H TYR A 67 -23.276 -5.358 -7.048 1.00 0.00 H new ATOM 0 HA TYR A 67 -24.307 -2.600 -6.702 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -21.652 -3.154 -7.976 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -22.244 -1.689 -7.217 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -22.421 -1.638 -4.614 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -20.366 -4.718 -6.807 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.302 -2.378 -2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.284 -5.498 -4.720 1.00 0.00 H new ATOM 0 HH TYR A 67 -18.726 -4.595 -2.424 1.00 0.00 H new ATOM 1022 N GLY A 68 -24.834 -4.519 -9.015 1.00 0.00 N ATOM 1023 CA GLY A 68 -25.360 -4.748 -10.355 1.00 0.00 C ATOM 1024 C GLY A 68 -24.262 -5.047 -11.379 1.00 0.00 C ATOM 1025 O GLY A 68 -24.397 -4.670 -12.545 1.00 0.00 O ATOM 0 H GLY A 68 -25.033 -5.281 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -26.062 -5.581 -10.328 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -25.920 -3.870 -10.676 1.00 0.00 H new ATOM 1029 N VAL A 69 -23.174 -5.702 -10.961 1.00 0.00 N ATOM 1030 CA VAL A 69 -22.042 -6.062 -11.808 1.00 0.00 C ATOM 1031 C VAL A 69 -22.060 -7.580 -11.990 1.00 0.00 C ATOM 1032 O VAL A 69 -22.297 -8.323 -11.039 1.00 0.00 O ATOM 1033 CB VAL A 69 -20.727 -5.581 -11.141 1.00 0.00 C ATOM 1034 CG1 VAL A 69 -19.479 -5.951 -11.958 1.00 0.00 C ATOM 1035 CG2 VAL A 69 -20.723 -4.056 -10.935 1.00 0.00 C ATOM 0 H VAL A 69 -23.057 -6.004 -9.994 1.00 0.00 H new ATOM 0 HA VAL A 69 -22.108 -5.584 -12.785 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.688 -6.092 -10.179 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -18.588 -5.590 -11.445 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -19.422 -7.034 -12.065 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -19.541 -5.492 -12.945 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -19.787 -3.755 -10.466 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -20.822 -3.558 -11.900 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.558 -3.773 -10.294 1.00 0.00 H new ATOM 1045 N MET A 70 -21.803 -8.042 -13.215 1.00 0.00 N ATOM 1046 CA MET A 70 -21.496 -9.439 -13.523 1.00 0.00 C ATOM 1047 C MET A 70 -20.694 -9.493 -14.836 1.00 0.00 C ATOM 1048 O MET A 70 -20.797 -10.441 -15.618 1.00 0.00 O ATOM 1049 CB MET A 70 -22.765 -10.320 -13.519 1.00 0.00 C ATOM 1050 CG MET A 70 -22.422 -11.785 -13.198 1.00 0.00 C ATOM 1051 SD MET A 70 -21.671 -12.056 -11.559 1.00 0.00 S ATOM 1052 CE MET A 70 -21.102 -13.767 -11.737 1.00 0.00 C ATOM 0 H MET A 70 -21.803 -7.441 -14.039 1.00 0.00 H new ATOM 0 HA MET A 70 -20.871 -9.867 -12.739 1.00 0.00 H new ATOM 0 HB2 MET A 70 -23.473 -9.940 -12.783 1.00 0.00 H new ATOM 0 HB3 MET A 70 -23.254 -10.263 -14.491 1.00 0.00 H new ATOM 0 HG2 MET A 70 -23.333 -12.380 -13.267 1.00 0.00 H new ATOM 0 HG3 MET A 70 -21.739 -12.159 -13.961 1.00 0.00 H new ATOM 0 HE1 MET A 70 -20.617 -14.087 -10.815 1.00 0.00 H new ATOM 0 HE2 MET A 70 -21.955 -14.414 -11.942 1.00 0.00 H new ATOM 0 HE3 MET A 70 -20.392 -13.830 -12.561 1.00 0.00 H new ATOM 1062 N SER A 71 -19.901 -8.445 -15.078 1.00 0.00 N ATOM 1063 CA SER A 71 -19.040 -8.255 -16.230 1.00 0.00 C ATOM 1064 C SER A 71 -17.726 -7.677 -15.704 1.00 0.00 C ATOM 1065 O SER A 71 -17.717 -7.032 -14.650 1.00 0.00 O ATOM 1066 CB SER A 71 -19.704 -7.305 -17.239 1.00 0.00 C ATOM 1067 OG SER A 71 -21.002 -7.756 -17.603 1.00 0.00 O ATOM 0 H SER A 71 -19.846 -7.661 -14.428 1.00 0.00 H new ATOM 0 HA SER A 71 -18.860 -9.194 -16.753 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.772 -6.306 -16.809 1.00 0.00 H new ATOM 0 HB3 SER A 71 -19.082 -7.227 -18.130 1.00 0.00 H new ATOM 0 HG SER A 71 -21.398 -7.130 -18.244 1.00 0.00 H new ATOM 1073 N ILE A 72 -16.619 -7.925 -16.402 1.00 0.00 N ATOM 1074 CA ILE A 72 -15.272 -7.638 -15.922 1.00 0.00 C ATOM 1075 C ILE A 72 -14.369 -7.226 -17.100 1.00 0.00 C ATOM 1076 O ILE A 72 -14.675 -7.606 -18.235 1.00 0.00 O ATOM 1077 CB ILE A 72 -14.690 -8.863 -15.171 1.00 0.00 C ATOM 1078 CG1 ILE A 72 -14.381 -10.120 -16.017 1.00 0.00 C ATOM 1079 CG2 ILE A 72 -15.513 -9.225 -13.925 1.00 0.00 C ATOM 1080 CD1 ILE A 72 -15.562 -10.925 -16.575 1.00 0.00 C ATOM 0 H ILE A 72 -16.636 -8.339 -17.334 1.00 0.00 H new ATOM 0 HA ILE A 72 -15.316 -6.807 -15.218 1.00 0.00 H new ATOM 0 HB ILE A 72 -13.706 -8.506 -14.866 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.761 -9.811 -16.859 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.778 -10.792 -15.407 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -15.067 -10.089 -13.432 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -15.522 -8.380 -13.237 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -16.535 -9.464 -14.220 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -15.186 -11.775 -17.145 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -16.179 -11.285 -15.751 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -16.161 -10.288 -17.226 1.00 0.00 H new ATOM 1092 N PRO A 73 -13.240 -6.524 -16.870 1.00 0.00 N ATOM 1093 CA PRO A 73 -12.844 -5.904 -15.611 1.00 0.00 C ATOM 1094 C PRO A 73 -13.794 -4.756 -15.282 1.00 0.00 C ATOM 1095 O PRO A 73 -14.154 -3.972 -16.164 1.00 0.00 O ATOM 1096 CB PRO A 73 -11.409 -5.402 -15.808 1.00 0.00 C ATOM 1097 CG PRO A 73 -11.272 -5.230 -17.319 1.00 0.00 C ATOM 1098 CD PRO A 73 -12.261 -6.237 -17.902 1.00 0.00 C ATOM 0 HA PRO A 73 -12.889 -6.606 -14.778 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.242 -4.461 -15.284 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.682 -6.116 -15.422 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.512 -4.212 -17.627 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.254 -5.433 -17.652 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.746 -5.830 -18.790 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.747 -7.148 -18.209 1.00 0.00 H new ATOM 1106 N THR A 74 -14.163 -4.647 -14.011 1.00 0.00 N ATOM 1107 CA THR A 74 -15.009 -3.583 -13.509 1.00 0.00 C ATOM 1108 C THR A 74 -14.331 -3.053 -12.254 1.00 0.00 C ATOM 1109 O THR A 74 -14.116 -3.777 -11.280 1.00 0.00 O ATOM 1110 CB THR A 74 -16.442 -4.092 -13.285 1.00 0.00 C ATOM 1111 OG1 THR A 74 -17.015 -4.445 -14.526 1.00 0.00 O ATOM 1112 CG2 THR A 74 -17.318 -3.020 -12.633 1.00 0.00 C ATOM 0 H THR A 74 -13.875 -5.310 -13.291 1.00 0.00 H new ATOM 0 HA THR A 74 -15.120 -2.765 -14.221 1.00 0.00 H new ATOM 0 HB THR A 74 -16.391 -4.956 -12.623 1.00 0.00 H new ATOM 0 HG1 THR A 74 -17.464 -5.312 -14.444 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.325 -3.411 -12.488 1.00 0.00 H new ATOM 0 HG22 THR A 74 -16.895 -2.742 -11.668 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.359 -2.142 -13.278 1.00 0.00 H new ATOM 1120 N LEU A 75 -13.939 -1.786 -12.314 1.00 0.00 N ATOM 1121 CA LEU A 75 -13.317 -1.084 -11.212 1.00 0.00 C ATOM 1122 C LEU A 75 -14.434 -0.394 -10.448 1.00 0.00 C ATOM 1123 O LEU A 75 -15.304 0.224 -11.065 1.00 0.00 O ATOM 1124 CB LEU A 75 -12.321 -0.038 -11.738 1.00 0.00 C ATOM 1125 CG LEU A 75 -11.116 -0.614 -12.507 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.195 0.532 -12.936 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.310 -1.625 -11.687 1.00 0.00 C ATOM 0 H LEU A 75 -14.050 -1.212 -13.150 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.767 -1.775 -10.573 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.854 0.652 -12.392 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.950 0.544 -10.895 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.513 -1.144 -13.373 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.341 0.128 -13.480 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.744 1.219 -13.580 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.843 1.066 -12.053 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.475 -1.994 -12.283 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.928 -1.142 -10.788 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.952 -2.460 -11.406 1.00 0.00 H new ATOM 1139 N LEU A 76 -14.388 -0.448 -9.121 1.00 0.00 N ATOM 1140 CA LEU A 76 -15.259 0.338 -8.258 1.00 0.00 C ATOM 1141 C LEU A 76 -14.335 1.156 -7.376 1.00 0.00 C ATOM 1142 O LEU A 76 -13.398 0.605 -6.798 1.00 0.00 O ATOM 1143 CB LEU A 76 -16.168 -0.541 -7.375 1.00 0.00 C ATOM 1144 CG LEU A 76 -17.599 -0.745 -7.902 1.00 0.00 C ATOM 1145 CD1 LEU A 76 -17.654 -1.635 -9.146 1.00 0.00 C ATOM 1146 CD2 LEU A 76 -18.467 -1.388 -6.813 1.00 0.00 C ATOM 0 H LEU A 76 -13.738 -1.045 -8.610 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.925 0.953 -8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -15.699 -1.518 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -16.224 -0.094 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 76 -17.972 0.242 -8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -18.689 -1.742 -9.471 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -17.068 -1.180 -9.945 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -17.244 -2.617 -8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -19.479 -1.530 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -18.045 -2.353 -6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -18.495 -0.738 -5.939 1.00 0.00 H new ATOM 1158 N VAL A 77 -14.604 2.451 -7.253 1.00 0.00 N ATOM 1159 CA VAL A 77 -13.955 3.276 -6.253 1.00 0.00 C ATOM 1160 C VAL A 77 -14.951 3.272 -5.104 1.00 0.00 C ATOM 1161 O VAL A 77 -16.131 3.588 -5.298 1.00 0.00 O ATOM 1162 CB VAL A 77 -13.646 4.696 -6.771 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -12.749 5.436 -5.764 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -12.937 4.686 -8.135 1.00 0.00 C ATOM 0 H VAL A 77 -15.272 2.950 -7.840 1.00 0.00 H new ATOM 0 HA VAL A 77 -12.976 2.898 -5.960 1.00 0.00 H new ATOM 0 HB VAL A 77 -14.604 5.202 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.534 6.438 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.261 5.507 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.815 4.888 -5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.744 5.711 -8.452 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.993 4.148 -8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -13.571 4.192 -8.871 1.00 0.00 H new ATOM 1174 N LEU A 78 -14.477 2.896 -3.923 1.00 0.00 N ATOM 1175 CA LEU A 78 -15.220 2.911 -2.673 1.00 0.00 C ATOM 1176 C LEU A 78 -14.468 3.821 -1.709 1.00 0.00 C ATOM 1177 O LEU A 78 -13.271 4.059 -1.884 1.00 0.00 O ATOM 1178 CB LEU A 78 -15.375 1.494 -2.079 1.00 0.00 C ATOM 1179 CG LEU A 78 -16.058 0.468 -3.011 1.00 0.00 C ATOM 1180 CD1 LEU A 78 -15.027 -0.412 -3.729 1.00 0.00 C ATOM 1181 CD2 LEU A 78 -17.025 -0.436 -2.239 1.00 0.00 C ATOM 0 H LEU A 78 -13.522 2.558 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.230 3.281 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.387 1.118 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.951 1.564 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.616 1.045 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.542 -1.122 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.369 0.215 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.436 -0.956 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.487 -1.145 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.478 -0.980 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.799 0.174 -1.772 1.00 0.00 H new ATOM 1193 N LYS A 79 -15.149 4.321 -0.683 1.00 0.00 N ATOM 1194 CA LYS A 79 -14.544 5.139 0.355 1.00 0.00 C ATOM 1195 C LYS A 79 -15.260 4.834 1.657 1.00 0.00 C ATOM 1196 O LYS A 79 -16.484 4.947 1.708 1.00 0.00 O ATOM 1197 CB LYS A 79 -14.637 6.624 -0.038 1.00 0.00 C ATOM 1198 CG LYS A 79 -13.805 7.527 0.888 1.00 0.00 C ATOM 1199 CD LYS A 79 -13.708 8.950 0.312 1.00 0.00 C ATOM 1200 CE LYS A 79 -12.598 9.761 0.999 1.00 0.00 C ATOM 1201 NZ LYS A 79 -12.333 11.035 0.288 1.00 0.00 N ATOM 0 H LYS A 79 -16.148 4.166 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.485 4.914 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.295 6.748 -1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.680 6.940 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.260 7.560 1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.806 7.109 1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.512 8.898 -0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.663 9.460 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.885 9.972 2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.684 9.168 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.391 11.389 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.370 10.874 -0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.053 11.737 0.554 1.00 0.00 H new ATOM 1215 N ASP A 80 -14.503 4.451 2.689 1.00 0.00 N ATOM 1216 CA ASP A 80 -14.987 4.206 4.048 1.00 0.00 C ATOM 1217 C ASP A 80 -16.278 3.360 4.104 1.00 0.00 C ATOM 1218 O ASP A 80 -17.155 3.582 4.940 1.00 0.00 O ATOM 1219 CB ASP A 80 -15.086 5.545 4.801 1.00 0.00 C ATOM 1220 CG ASP A 80 -15.359 5.367 6.306 1.00 0.00 C ATOM 1221 OD1 ASP A 80 -14.686 4.536 6.959 1.00 0.00 O ATOM 1222 OD2 ASP A 80 -16.202 6.107 6.863 1.00 0.00 O ATOM 0 H ASP A 80 -13.499 4.298 2.596 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.259 3.580 4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.157 6.100 4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.882 6.146 4.361 1.00 0.00 H new ATOM 1227 N GLY A 81 -16.410 2.391 3.190 1.00 0.00 N ATOM 1228 CA GLY A 81 -17.434 1.356 3.240 1.00 0.00 C ATOM 1229 C GLY A 81 -18.525 1.459 2.176 1.00 0.00 C ATOM 1230 O GLY A 81 -19.379 0.572 2.134 1.00 0.00 O ATOM 0 H GLY A 81 -15.793 2.308 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.949 0.384 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.905 1.383 4.223 1.00 0.00 H new ATOM 1234 N GLU A 82 -18.525 2.481 1.312 1.00 0.00 N ATOM 1235 CA GLU A 82 -19.551 2.656 0.292 1.00 0.00 C ATOM 1236 C GLU A 82 -18.905 2.930 -1.064 1.00 0.00 C ATOM 1237 O GLU A 82 -17.861 3.579 -1.134 1.00 0.00 O ATOM 1238 CB GLU A 82 -20.520 3.763 0.737 1.00 0.00 C ATOM 1239 CG GLU A 82 -19.989 5.202 0.627 1.00 0.00 C ATOM 1240 CD GLU A 82 -21.006 6.215 1.182 1.00 0.00 C ATOM 1241 OE1 GLU A 82 -21.889 6.681 0.424 1.00 0.00 O ATOM 1242 OE2 GLU A 82 -20.934 6.569 2.381 1.00 0.00 O ATOM 0 H GLU A 82 -17.810 3.208 1.305 1.00 0.00 H new ATOM 0 HA GLU A 82 -20.133 1.742 0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -21.429 3.685 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -20.802 3.578 1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -19.050 5.289 1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -19.773 5.434 -0.416 1.00 0.00 H new ATOM 1249 N VAL A 83 -19.510 2.420 -2.139 1.00 0.00 N ATOM 1250 CA VAL A 83 -19.123 2.737 -3.506 1.00 0.00 C ATOM 1251 C VAL A 83 -19.412 4.217 -3.761 1.00 0.00 C ATOM 1252 O VAL A 83 -20.464 4.740 -3.381 1.00 0.00 O ATOM 1253 CB VAL A 83 -19.792 1.747 -4.491 1.00 0.00 C ATOM 1254 CG1 VAL A 83 -21.322 1.645 -4.373 1.00 0.00 C ATOM 1255 CG2 VAL A 83 -19.408 2.043 -5.947 1.00 0.00 C ATOM 0 H VAL A 83 -20.292 1.768 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.054 2.604 -3.670 1.00 0.00 H new ATOM 0 HB VAL A 83 -19.396 0.777 -4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -21.696 0.928 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -21.588 1.313 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -21.767 2.622 -4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -19.898 1.326 -6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.725 3.052 -6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.327 1.961 -6.062 1.00 0.00 H new ATOM 1265 N VAL A 84 -18.464 4.873 -4.422 1.00 0.00 N ATOM 1266 CA VAL A 84 -18.542 6.264 -4.837 1.00 0.00 C ATOM 1267 C VAL A 84 -18.399 6.377 -6.356 1.00 0.00 C ATOM 1268 O VAL A 84 -18.885 7.362 -6.916 1.00 0.00 O ATOM 1269 CB VAL A 84 -17.526 7.138 -4.063 1.00 0.00 C ATOM 1270 CG1 VAL A 84 -17.799 7.115 -2.551 1.00 0.00 C ATOM 1271 CG2 VAL A 84 -16.058 6.745 -4.303 1.00 0.00 C ATOM 0 H VAL A 84 -17.586 4.430 -4.693 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.527 6.654 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.671 8.144 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.066 7.739 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -18.801 7.497 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.723 6.092 -2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -15.407 7.402 -3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.902 5.713 -3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.824 6.841 -5.363 1.00 0.00 H new ATOM 1281 N GLU A 85 -17.813 5.384 -7.045 1.00 0.00 N ATOM 1282 CA GLU A 85 -17.762 5.397 -8.511 1.00 0.00 C ATOM 1283 C GLU A 85 -17.577 3.985 -9.074 1.00 0.00 C ATOM 1284 O GLU A 85 -17.149 3.083 -8.354 1.00 0.00 O ATOM 1285 CB GLU A 85 -16.635 6.352 -8.968 1.00 0.00 C ATOM 1286 CG GLU A 85 -16.577 6.667 -10.469 1.00 0.00 C ATOM 1287 CD GLU A 85 -17.909 7.199 -11.030 1.00 0.00 C ATOM 1288 OE1 GLU A 85 -18.821 6.384 -11.288 1.00 0.00 O ATOM 1289 OE2 GLU A 85 -18.048 8.428 -11.230 1.00 0.00 O ATOM 0 H GLU A 85 -17.373 4.571 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.711 5.762 -8.903 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.742 7.291 -8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.679 5.920 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.794 7.404 -10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.296 5.765 -11.012 1.00 0.00 H new ATOM 1296 N THR A 86 -17.865 3.803 -10.365 1.00 0.00 N ATOM 1297 CA THR A 86 -17.685 2.571 -11.127 1.00 0.00 C ATOM 1298 C THR A 86 -17.076 2.930 -12.496 1.00 0.00 C ATOM 1299 O THR A 86 -17.324 4.013 -13.032 1.00 0.00 O ATOM 1300 CB THR A 86 -19.049 1.862 -11.268 1.00 0.00 C ATOM 1301 OG1 THR A 86 -19.608 1.598 -9.995 1.00 0.00 O ATOM 1302 CG2 THR A 86 -18.979 0.532 -12.029 1.00 0.00 C ATOM 0 H THR A 86 -18.251 4.555 -10.936 1.00 0.00 H new ATOM 0 HA THR A 86 -17.006 1.886 -10.619 1.00 0.00 H new ATOM 0 HB THR A 86 -19.669 2.551 -11.842 1.00 0.00 H new ATOM 0 HG1 THR A 86 -20.473 1.150 -10.104 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.975 0.093 -12.087 1.00 0.00 H new ATOM 0 HG22 THR A 86 -18.601 0.708 -13.036 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.311 -0.152 -11.505 1.00 0.00 H new ATOM 1310 N SER A 87 -16.279 2.029 -13.072 1.00 0.00 N ATOM 1311 CA SER A 87 -15.757 2.083 -14.436 1.00 0.00 C ATOM 1312 C SER A 87 -15.632 0.644 -14.948 1.00 0.00 C ATOM 1313 O SER A 87 -15.459 -0.278 -14.151 1.00 0.00 O ATOM 1314 CB SER A 87 -14.394 2.789 -14.438 1.00 0.00 C ATOM 1315 OG SER A 87 -14.551 4.184 -14.242 1.00 0.00 O ATOM 0 H SER A 87 -15.964 1.198 -12.572 1.00 0.00 H new ATOM 0 HA SER A 87 -16.425 2.646 -15.088 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.764 2.375 -13.651 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.885 2.605 -15.384 1.00 0.00 H new ATOM 0 HG SER A 87 -15.471 4.373 -13.961 1.00 0.00 H new ATOM 1321 N VAL A 88 -15.717 0.431 -16.262 1.00 0.00 N ATOM 1322 CA VAL A 88 -15.714 -0.899 -16.873 1.00 0.00 C ATOM 1323 C VAL A 88 -14.730 -0.873 -18.046 1.00 0.00 C ATOM 1324 O VAL A 88 -14.620 0.138 -18.747 1.00 0.00 O ATOM 1325 CB VAL A 88 -17.150 -1.289 -17.309 1.00 0.00 C ATOM 1326 CG1 VAL A 88 -17.215 -2.723 -17.854 1.00 0.00 C ATOM 1327 CG2 VAL A 88 -18.166 -1.179 -16.159 1.00 0.00 C ATOM 0 H VAL A 88 -15.791 1.188 -16.941 1.00 0.00 H new ATOM 0 HA VAL A 88 -15.392 -1.660 -16.162 1.00 0.00 H new ATOM 0 HB VAL A 88 -17.410 -0.578 -18.093 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -18.239 -2.955 -18.148 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -16.560 -2.813 -18.720 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.892 -3.421 -17.081 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -19.155 -1.463 -16.519 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -17.870 -1.844 -15.347 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.194 -0.152 -15.795 1.00 0.00 H new ATOM 1337 N GLY A 89 -14.031 -1.987 -18.267 1.00 0.00 N ATOM 1338 CA GLY A 89 -13.042 -2.128 -19.324 1.00 0.00 C ATOM 1339 C GLY A 89 -11.703 -1.502 -18.929 1.00 0.00 C ATOM 1340 O GLY A 89 -11.532 -0.983 -17.823 1.00 0.00 O ATOM 0 H GLY A 89 -14.142 -2.830 -17.703 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.898 -3.185 -19.550 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.411 -1.655 -20.234 1.00 0.00 H new ATOM 1344 N PHE A 90 -10.736 -1.591 -19.844 1.00 0.00 N ATOM 1345 CA PHE A 90 -9.405 -1.021 -19.672 1.00 0.00 C ATOM 1346 C PHE A 90 -9.482 0.509 -19.548 1.00 0.00 C ATOM 1347 O PHE A 90 -10.314 1.152 -20.196 1.00 0.00 O ATOM 1348 CB PHE A 90 -8.529 -1.438 -20.864 1.00 0.00 C ATOM 1349 CG PHE A 90 -7.091 -0.961 -20.788 1.00 0.00 C ATOM 1350 CD1 PHE A 90 -6.120 -1.743 -20.134 1.00 0.00 C ATOM 1351 CD2 PHE A 90 -6.720 0.270 -21.368 1.00 0.00 C ATOM 1352 CE1 PHE A 90 -4.789 -1.295 -20.062 1.00 0.00 C ATOM 1353 CE2 PHE A 90 -5.393 0.722 -21.282 1.00 0.00 C ATOM 1354 CZ PHE A 90 -4.425 -0.062 -20.631 1.00 0.00 C ATOM 0 H PHE A 90 -10.860 -2.068 -20.737 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.960 -1.398 -18.751 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.534 -2.525 -20.939 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -8.978 -1.053 -21.780 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.397 -2.687 -19.688 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.459 0.868 -21.880 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.044 -1.900 -19.568 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.117 1.672 -21.716 1.00 0.00 H new ATOM 0 HZ PHE A 90 -3.403 0.282 -20.568 1.00 0.00 H new ATOM 1364 N LYS A 91 -8.565 1.091 -18.769 1.00 0.00 N ATOM 1365 CA LYS A 91 -8.302 2.527 -18.687 1.00 0.00 C ATOM 1366 C LYS A 91 -6.788 2.694 -18.532 1.00 0.00 C ATOM 1367 O LYS A 91 -6.165 1.826 -17.918 1.00 0.00 O ATOM 1368 CB LYS A 91 -9.032 3.171 -17.488 1.00 0.00 C ATOM 1369 CG LYS A 91 -10.392 3.750 -17.900 1.00 0.00 C ATOM 1370 CD LYS A 91 -11.109 4.436 -16.727 1.00 0.00 C ATOM 1371 CE LYS A 91 -12.423 5.058 -17.224 1.00 0.00 C ATOM 1372 NZ LYS A 91 -13.153 5.797 -16.162 1.00 0.00 N ATOM 0 H LYS A 91 -7.960 0.548 -18.152 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.669 3.025 -19.584 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.175 2.426 -16.705 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.412 3.962 -17.066 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.250 4.469 -18.707 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.022 2.951 -18.292 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.312 3.712 -15.938 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.469 5.206 -16.296 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.208 5.737 -18.049 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.065 4.270 -17.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.882 6.399 -16.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.604 5.119 -15.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.485 6.391 -15.631 1.00 0.00 H new ATOM 1386 N PRO A 92 -6.191 3.774 -19.062 1.00 0.00 N ATOM 1387 CA PRO A 92 -4.772 4.050 -18.888 1.00 0.00 C ATOM 1388 C PRO A 92 -4.489 4.520 -17.456 1.00 0.00 C ATOM 1389 O PRO A 92 -5.384 5.025 -16.767 1.00 0.00 O ATOM 1390 CB PRO A 92 -4.455 5.132 -19.926 1.00 0.00 C ATOM 1391 CG PRO A 92 -5.767 5.905 -20.048 1.00 0.00 C ATOM 1392 CD PRO A 92 -6.827 4.823 -19.848 1.00 0.00 C ATOM 0 HA PRO A 92 -4.148 3.169 -19.035 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.639 5.776 -19.598 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.155 4.698 -20.880 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.844 6.689 -19.295 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.862 6.387 -21.021 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.699 5.223 -19.331 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.174 4.436 -20.806 1.00 0.00 H new ATOM 1400 N LYS A 93 -3.225 4.406 -17.019 1.00 0.00 N ATOM 1401 CA LYS A 93 -2.832 4.764 -15.652 1.00 0.00 C ATOM 1402 C LYS A 93 -3.210 6.186 -15.301 1.00 0.00 C ATOM 1403 O LYS A 93 -3.768 6.430 -14.241 1.00 0.00 O ATOM 1404 CB LYS A 93 -1.326 4.583 -15.390 1.00 0.00 C ATOM 1405 CG LYS A 93 -0.325 5.145 -16.420 1.00 0.00 C ATOM 1406 CD LYS A 93 1.127 5.115 -15.913 1.00 0.00 C ATOM 1407 CE LYS A 93 1.363 5.949 -14.640 1.00 0.00 C ATOM 1408 NZ LYS A 93 2.778 5.921 -14.197 1.00 0.00 N ATOM 0 H LYS A 93 -2.456 4.067 -17.598 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.384 4.071 -15.017 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.100 5.039 -14.426 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.133 3.515 -15.290 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.396 4.568 -17.342 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.599 6.171 -16.665 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.411 4.081 -15.716 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.784 5.481 -16.702 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.064 6.981 -14.825 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.727 5.571 -13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.855 6.351 -13.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.110 4.936 -14.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.363 6.456 -14.870 1.00 0.00 H new ATOM 1422 N GLU A 94 -2.870 7.118 -16.178 1.00 0.00 N ATOM 1423 CA GLU A 94 -2.951 8.540 -15.909 1.00 0.00 C ATOM 1424 C GLU A 94 -4.397 8.961 -15.630 1.00 0.00 C ATOM 1425 O GLU A 94 -4.655 9.742 -14.713 1.00 0.00 O ATOM 1426 CB GLU A 94 -2.335 9.302 -17.091 1.00 0.00 C ATOM 1427 CG GLU A 94 -2.122 10.778 -16.749 1.00 0.00 C ATOM 1428 CD GLU A 94 -1.443 11.538 -17.902 1.00 0.00 C ATOM 1429 OE1 GLU A 94 -2.149 12.047 -18.803 1.00 0.00 O ATOM 1430 OE2 GLU A 94 -0.196 11.652 -17.914 1.00 0.00 O ATOM 0 H GLU A 94 -2.524 6.900 -17.113 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.385 8.784 -15.010 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.382 8.848 -17.362 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.987 9.218 -17.960 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.082 11.241 -16.524 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.511 10.859 -15.850 1.00 0.00 H new ATOM 1437 N ALA A 95 -5.345 8.389 -16.374 1.00 0.00 N ATOM 1438 CA ALA A 95 -6.764 8.634 -16.168 1.00 0.00 C ATOM 1439 C ALA A 95 -7.240 8.006 -14.859 1.00 0.00 C ATOM 1440 O ALA A 95 -7.996 8.620 -14.108 1.00 0.00 O ATOM 1441 CB ALA A 95 -7.554 8.036 -17.332 1.00 0.00 C ATOM 0 H ALA A 95 -5.145 7.742 -17.137 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.927 9.710 -16.117 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.618 8.218 -17.181 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -7.235 8.501 -18.265 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.373 6.962 -17.381 1.00 0.00 H new ATOM 1447 N LEU A 96 -6.801 6.780 -14.573 1.00 0.00 N ATOM 1448 CA LEU A 96 -7.216 6.068 -13.379 1.00 0.00 C ATOM 1449 C LEU A 96 -6.641 6.730 -12.121 1.00 0.00 C ATOM 1450 O LEU A 96 -7.353 6.854 -11.128 1.00 0.00 O ATOM 1451 CB LEU A 96 -6.826 4.590 -13.519 1.00 0.00 C ATOM 1452 CG LEU A 96 -7.223 3.713 -12.318 1.00 0.00 C ATOM 1453 CD1 LEU A 96 -8.723 3.767 -11.998 1.00 0.00 C ATOM 1454 CD2 LEU A 96 -6.814 2.265 -12.623 1.00 0.00 C ATOM 0 H LEU A 96 -6.151 6.261 -15.163 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.299 6.116 -13.268 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.292 4.187 -14.418 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -5.747 4.523 -13.662 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.706 4.099 -11.439 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.936 3.127 -11.142 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.008 4.793 -11.764 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.292 3.420 -12.861 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.087 1.625 -11.784 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.328 1.923 -13.521 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.737 2.217 -12.781 1.00 0.00 H new ATOM 1466 N GLN A 97 -5.396 7.221 -12.153 1.00 0.00 N ATOM 1467 CA GLN A 97 -4.831 7.945 -11.021 1.00 0.00 C ATOM 1468 C GLN A 97 -5.475 9.320 -10.898 1.00 0.00 C ATOM 1469 O GLN A 97 -5.603 9.819 -9.784 1.00 0.00 O ATOM 1470 CB GLN A 97 -3.291 7.992 -11.041 1.00 0.00 C ATOM 1471 CG GLN A 97 -2.663 8.887 -12.117 1.00 0.00 C ATOM 1472 CD GLN A 97 -2.646 10.386 -11.801 1.00 0.00 C ATOM 1473 OE1 GLN A 97 -2.074 10.825 -10.809 1.00 0.00 O ATOM 1474 NE2 GLN A 97 -3.256 11.202 -12.648 1.00 0.00 N ATOM 0 H GLN A 97 -4.767 7.128 -12.950 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.072 7.388 -10.116 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.944 8.332 -10.065 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.917 6.977 -11.176 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.638 8.557 -12.286 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.204 8.737 -13.051 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.728 10.824 -13.469 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.253 12.208 -12.479 1.00 0.00 H new ATOM 1483 N GLU A 98 -5.922 9.922 -12.006 1.00 0.00 N ATOM 1484 CA GLU A 98 -6.652 11.178 -11.951 1.00 0.00 C ATOM 1485 C GLU A 98 -7.952 10.924 -11.190 1.00 0.00 C ATOM 1486 O GLU A 98 -8.243 11.630 -10.227 1.00 0.00 O ATOM 1487 CB GLU A 98 -6.896 11.740 -13.364 1.00 0.00 C ATOM 1488 CG GLU A 98 -7.650 13.073 -13.314 1.00 0.00 C ATOM 1489 CD GLU A 98 -8.074 13.561 -14.708 1.00 0.00 C ATOM 1490 OE1 GLU A 98 -7.207 13.937 -15.529 1.00 0.00 O ATOM 1491 OE2 GLU A 98 -9.298 13.614 -14.965 1.00 0.00 O ATOM 0 H GLU A 98 -5.787 9.554 -12.948 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.072 11.939 -11.428 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.941 11.879 -13.871 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.466 11.019 -13.950 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.534 12.963 -12.686 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.018 13.827 -12.845 1.00 0.00 H new ATOM 1498 N LEU A 99 -8.678 9.869 -11.563 1.00 0.00 N ATOM 1499 CA LEU A 99 -9.929 9.492 -10.916 1.00 0.00 C ATOM 1500 C LEU A 99 -9.705 9.229 -9.425 1.00 0.00 C ATOM 1501 O LEU A 99 -10.464 9.723 -8.595 1.00 0.00 O ATOM 1502 CB LEU A 99 -10.536 8.265 -11.621 1.00 0.00 C ATOM 1503 CG LEU A 99 -11.877 7.802 -11.019 1.00 0.00 C ATOM 1504 CD1 LEU A 99 -12.948 8.894 -11.113 1.00 0.00 C ATOM 1505 CD2 LEU A 99 -12.368 6.540 -11.740 1.00 0.00 C ATOM 0 H LEU A 99 -8.410 9.250 -12.328 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.637 10.316 -11.000 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.683 8.499 -12.675 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.824 7.441 -11.574 1.00 0.00 H new ATOM 0 HG LEU A 99 -11.707 7.584 -9.965 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.879 8.529 -10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.615 9.778 -10.569 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.113 9.153 -12.159 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.316 6.220 -11.308 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.507 6.757 -12.799 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.631 5.745 -11.626 1.00 0.00 H new ATOM 1517 N VAL A 100 -8.646 8.496 -9.075 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.299 8.220 -7.689 1.00 0.00 C ATOM 1519 C VAL A 100 -8.037 9.533 -6.951 1.00 0.00 C ATOM 1520 O VAL A 100 -8.654 9.771 -5.915 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.119 7.226 -7.641 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.355 7.239 -6.309 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -7.639 5.808 -7.926 1.00 0.00 C ATOM 0 H VAL A 100 -8.006 8.078 -9.751 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.127 7.740 -7.168 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.409 7.543 -8.405 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.541 6.516 -6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.948 8.235 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.034 6.976 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.809 5.103 -7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.378 5.534 -7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.099 5.781 -8.914 1.00 0.00 H new ATOM 1533 N ASN A 101 -7.182 10.413 -7.482 1.00 0.00 N ATOM 1534 CA ASN A 101 -6.828 11.655 -6.795 1.00 0.00 C ATOM 1535 C ASN A 101 -8.032 12.590 -6.636 1.00 0.00 C ATOM 1536 O ASN A 101 -8.095 13.336 -5.660 1.00 0.00 O ATOM 1537 CB ASN A 101 -5.603 12.344 -7.428 1.00 0.00 C ATOM 1538 CG ASN A 101 -5.903 13.661 -8.137 1.00 0.00 C ATOM 1539 OD1 ASN A 101 -5.636 14.739 -7.615 1.00 0.00 O ATOM 1540 ND2 ASN A 101 -6.443 13.604 -9.341 1.00 0.00 N ATOM 0 H ASN A 101 -6.724 10.287 -8.384 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.525 11.384 -5.784 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.864 12.528 -6.648 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.148 11.659 -8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.644 14.464 -9.851 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.659 12.700 -9.761 1.00 0.00 H new ATOM 1547 N LYS A 102 -9.013 12.514 -7.541 1.00 0.00 N ATOM 1548 CA LYS A 102 -10.281 13.232 -7.405 1.00 0.00 C ATOM 1549 C LYS A 102 -11.140 12.687 -6.255 1.00 0.00 C ATOM 1550 O LYS A 102 -11.940 13.450 -5.711 1.00 0.00 O ATOM 1551 CB LYS A 102 -11.047 13.201 -8.741 1.00 0.00 C ATOM 1552 CG LYS A 102 -10.447 14.189 -9.757 1.00 0.00 C ATOM 1553 CD LYS A 102 -11.081 14.037 -11.147 1.00 0.00 C ATOM 1554 CE LYS A 102 -10.634 15.200 -12.046 1.00 0.00 C ATOM 1555 NZ LYS A 102 -11.119 15.068 -13.443 1.00 0.00 N ATOM 0 H LYS A 102 -8.948 11.951 -8.389 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.053 14.268 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.021 12.192 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.094 13.447 -8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.593 15.209 -9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.371 14.027 -9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.785 13.086 -11.591 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.168 14.025 -11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.999 16.138 -11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.545 15.254 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.141 16.005 -13.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.480 14.444 -13.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.077 14.662 -13.441 1.00 0.00 H new ATOM 1569 N HIS A 103 -10.991 11.417 -5.861 1.00 0.00 N ATOM 1570 CA HIS A 103 -11.745 10.813 -4.760 1.00 0.00 C ATOM 1571 C HIS A 103 -10.985 10.815 -3.427 1.00 0.00 C ATOM 1572 O HIS A 103 -11.627 10.634 -2.389 1.00 0.00 O ATOM 1573 CB HIS A 103 -12.177 9.385 -5.128 1.00 0.00 C ATOM 1574 CG HIS A 103 -13.336 9.348 -6.094 1.00 0.00 C ATOM 1575 ND1 HIS A 103 -14.630 9.746 -5.832 1.00 0.00 N ATOM 1576 CD2 HIS A 103 -13.309 8.892 -7.383 1.00 0.00 C ATOM 1577 CE1 HIS A 103 -15.360 9.536 -6.940 1.00 0.00 C ATOM 1578 NE2 HIS A 103 -14.596 9.018 -7.918 1.00 0.00 N ATOM 0 H HIS A 103 -10.335 10.773 -6.304 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.627 11.437 -4.612 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.330 8.857 -5.566 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.452 8.849 -4.219 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -14.972 10.132 -4.952 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.444 8.502 -7.899 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.414 9.753 -7.032 1.00 0.00 H new ATOM 1586 N LEU A 104 -9.659 11.013 -3.416 1.00 0.00 N ATOM 1587 CA LEU A 104 -8.882 11.166 -2.182 1.00 0.00 C ATOM 1588 C LEU A 104 -9.467 12.299 -1.344 1.00 0.00 C ATOM 1589 O LEU A 104 -9.606 13.426 -1.867 1.00 0.00 O ATOM 1590 CB LEU A 104 -7.384 11.410 -2.453 1.00 0.00 C ATOM 1591 CG LEU A 104 -6.603 10.229 -3.062 1.00 0.00 C ATOM 1592 CD1 LEU A 104 -5.132 10.621 -3.226 1.00 0.00 C ATOM 1593 CD2 LEU A 104 -6.699 8.944 -2.233 1.00 0.00 C ATOM 1594 OXT LEU A 104 -9.782 12.057 -0.161 1.00 0.00 O ATOM 0 H LEU A 104 -9.096 11.071 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.951 10.228 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.292 12.264 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.907 11.689 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.059 10.015 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.579 9.786 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.057 11.485 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.711 10.871 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.127 8.154 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.296 9.123 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.743 8.640 -2.153 1.00 0.00 H new TER 1606 LEU A 104