USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 968 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 Single : A 1 GLY N :NH3+ -148:sc= 0.00323 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 31:sc= -0.183 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 162:sc= -0.327 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.334 K(o=-0.33,f=-1.6) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.38) USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= -0.0695 (180deg=-0.385) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= -0.0192 (180deg=-0.168) USER MOD Single : A 44 ASN : amide:sc= -0.0248 K(o=-0.025,f=-0.78) USER MOD Single : A 52 ASN : amide:sc= -0.938 K(o=-0.94,f=-2) USER MOD Single : A 53 HIS : no HE2:sc= -5.45! C(o=-5.5!,f=-4.1!) USER MOD Single : A 54 LYS NZ :NH3+ -137:sc= -0.309 (180deg=-0.99) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -31:sc= 0.416 USER MOD Single : A 58 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.1) USER MOD Single : A 59 MET CE :methyl 173:sc= -0.567 (180deg=-0.592) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0442 USER MOD Single : A 63 LYS NZ :NH3+ 155:sc= -0.0175 (180deg=-1.07) USER MOD Single : A 64 MET CE :methyl -141:sc= -1.14 (180deg=-3.61!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 94:sc= -1.47! USER MOD Single : A 72 TYR OH : rot -71:sc= 0.0616 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc=-0.00208 X(o=-0.0021,f=-0.0021) USER MOD Single : A 90 MET CE :methyl 175:sc= -1.44 (180deg=-1.47) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 161:sc= 0.036 USER MOD Single : A 97 MET CE :methyl -163:sc= -0.877 (180deg=-1.28) USER MOD Single : A 98 SER OG : rot -52:sc= 0.865 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.48) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc=-0.000854 X(o=-0.00085,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.589 22.783 13.362 1.00 0.00 N ATOM 2 CA GLY A 1 -23.380 21.477 12.764 1.00 0.00 C ATOM 3 C GLY A 1 -22.574 21.548 11.483 1.00 0.00 C ATOM 4 O GLY A 1 -21.594 22.289 11.398 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.629 22.688 14.397 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.804 23.413 13.102 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.484 23.184 13.016 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.867 20.832 13.477 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.346 21.017 12.557 1.00 0.00 H new ATOM 8 N SER A 2 -22.984 20.774 10.483 1.00 0.00 N ATOM 9 CA SER A 2 -22.289 20.748 9.202 1.00 0.00 C ATOM 10 C SER A 2 -23.262 20.992 8.052 1.00 0.00 C ATOM 11 O SER A 2 -24.466 21.135 8.262 1.00 0.00 O ATOM 12 CB SER A 2 -21.580 19.406 9.009 1.00 0.00 C ATOM 13 OG SER A 2 -20.320 19.397 9.658 1.00 0.00 O ATOM 0 H SER A 2 -23.794 20.157 10.536 1.00 0.00 H new ATOM 0 HA SER A 2 -21.546 21.546 9.203 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.202 18.603 9.404 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.446 19.212 7.945 1.00 0.00 H new ATOM 0 HG SER A 2 -19.888 18.528 9.521 1.00 0.00 H new ATOM 19 N SER A 3 -22.729 21.038 6.835 1.00 0.00 N ATOM 20 CA SER A 3 -23.548 21.268 5.650 1.00 0.00 C ATOM 21 C SER A 3 -24.181 19.967 5.166 1.00 0.00 C ATOM 22 O SER A 3 -25.384 19.904 4.917 1.00 0.00 O ATOM 23 CB SER A 3 -22.705 21.886 4.533 1.00 0.00 C ATOM 24 OG SER A 3 -23.521 22.558 3.590 1.00 0.00 O ATOM 0 H SER A 3 -21.734 20.919 6.644 1.00 0.00 H new ATOM 0 HA SER A 3 -24.345 21.961 5.919 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.986 22.585 4.960 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.132 21.106 4.032 1.00 0.00 H new ATOM 0 HG SER A 3 -22.958 22.945 2.888 1.00 0.00 H new ATOM 30 N GLY A 4 -23.359 18.930 5.034 1.00 0.00 N ATOM 31 CA GLY A 4 -23.855 17.644 4.580 1.00 0.00 C ATOM 32 C GLY A 4 -23.225 16.484 5.325 1.00 0.00 C ATOM 33 O GLY A 4 -23.233 16.450 6.555 1.00 0.00 O ATOM 0 H GLY A 4 -22.359 18.958 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.937 17.609 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.657 17.537 3.513 1.00 0.00 H new ATOM 37 N SER A 5 -22.679 15.529 4.578 1.00 0.00 N ATOM 38 CA SER A 5 -22.047 14.359 5.175 1.00 0.00 C ATOM 39 C SER A 5 -21.151 14.762 6.342 1.00 0.00 C ATOM 40 O SER A 5 -20.152 15.458 6.160 1.00 0.00 O ATOM 41 CB SER A 5 -21.229 13.604 4.126 1.00 0.00 C ATOM 42 OG SER A 5 -22.044 12.704 3.395 1.00 0.00 O ATOM 0 H SER A 5 -22.662 15.543 3.558 1.00 0.00 H new ATOM 0 HA SER A 5 -22.833 13.705 5.552 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.763 14.314 3.443 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.423 13.056 4.614 1.00 0.00 H new ATOM 0 HG SER A 5 -21.498 12.235 2.730 1.00 0.00 H new ATOM 48 N SER A 6 -21.516 14.319 7.541 1.00 0.00 N ATOM 49 CA SER A 6 -20.748 14.636 8.739 1.00 0.00 C ATOM 50 C SER A 6 -20.077 13.386 9.300 1.00 0.00 C ATOM 51 O SER A 6 -20.740 12.397 9.609 1.00 0.00 O ATOM 52 CB SER A 6 -21.654 15.262 9.801 1.00 0.00 C ATOM 53 OG SER A 6 -22.428 16.316 9.253 1.00 0.00 O ATOM 0 H SER A 6 -22.339 13.740 7.708 1.00 0.00 H new ATOM 0 HA SER A 6 -19.973 15.352 8.465 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.313 14.500 10.216 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.048 15.641 10.623 1.00 0.00 H new ATOM 0 HG SER A 6 -22.609 16.132 8.308 1.00 0.00 H new ATOM 59 N GLY A 7 -18.754 13.440 9.430 1.00 0.00 N ATOM 60 CA GLY A 7 -18.014 12.307 9.954 1.00 0.00 C ATOM 61 C GLY A 7 -16.533 12.387 9.641 1.00 0.00 C ATOM 62 O GLY A 7 -15.922 11.397 9.238 1.00 0.00 O ATOM 0 H GLY A 7 -18.183 14.248 9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.152 12.255 11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.421 11.386 9.536 1.00 0.00 H new ATOM 66 N CYS A 8 -15.955 13.569 9.826 1.00 0.00 N ATOM 67 CA CYS A 8 -14.536 13.776 9.558 1.00 0.00 C ATOM 68 C CYS A 8 -13.677 13.051 10.589 1.00 0.00 C ATOM 69 O CYS A 8 -13.608 13.455 11.749 1.00 0.00 O ATOM 70 CB CYS A 8 -14.207 15.269 9.562 1.00 0.00 C ATOM 71 SG CYS A 8 -15.094 16.224 8.308 1.00 0.00 S ATOM 0 H CYS A 8 -16.447 14.398 10.160 1.00 0.00 H new ATOM 0 HA CYS A 8 -14.314 13.365 8.573 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.438 15.678 10.546 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.135 15.394 9.408 1.00 0.00 H new ATOM 0 HG CYS A 8 -14.751 17.475 8.392 1.00 0.00 H new ATOM 77 N ARG A 9 -13.024 11.976 10.157 1.00 0.00 N ATOM 78 CA ARG A 9 -12.172 11.193 11.043 1.00 0.00 C ATOM 79 C ARG A 9 -10.700 11.379 10.686 1.00 0.00 C ATOM 80 O ARG A 9 -10.368 11.831 9.590 1.00 0.00 O ATOM 81 CB ARG A 9 -12.543 9.711 10.964 1.00 0.00 C ATOM 82 CG ARG A 9 -13.645 9.307 11.930 1.00 0.00 C ATOM 83 CD ARG A 9 -13.938 7.817 11.849 1.00 0.00 C ATOM 84 NE ARG A 9 -15.289 7.499 12.302 1.00 0.00 N ATOM 85 CZ ARG A 9 -16.378 7.704 11.569 1.00 0.00 C ATOM 86 NH1 ARG A 9 -16.274 8.223 10.353 1.00 0.00 N ATOM 87 NH2 ARG A 9 -17.573 7.389 12.051 1.00 0.00 N ATOM 0 H ARG A 9 -13.069 11.628 9.199 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.329 11.546 12.062 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.859 9.478 9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.656 9.112 11.167 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.352 9.567 12.947 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.551 9.870 11.706 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.811 7.478 10.821 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.215 7.272 12.456 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.403 7.097 13.233 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.357 8.466 9.979 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.111 8.380 9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.657 6.989 12.985 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.408 7.547 11.487 1.00 0.00 H new ATOM 101 N LEU A 10 -9.822 11.029 11.620 1.00 0.00 N ATOM 102 CA LEU A 10 -8.384 11.158 11.405 1.00 0.00 C ATOM 103 C LEU A 10 -7.930 10.294 10.233 1.00 0.00 C ATOM 104 O LEU A 10 -8.677 9.444 9.748 1.00 0.00 O ATOM 105 CB LEU A 10 -7.622 10.763 12.671 1.00 0.00 C ATOM 106 CG LEU A 10 -7.745 11.723 13.855 1.00 0.00 C ATOM 107 CD1 LEU A 10 -7.270 11.053 15.135 1.00 0.00 C ATOM 108 CD2 LEU A 10 -6.955 12.997 13.593 1.00 0.00 C ATOM 0 H LEU A 10 -10.080 10.654 12.533 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.168 12.200 11.169 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.970 9.780 12.988 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.566 10.662 12.419 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.795 11.989 13.976 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.364 11.750 15.967 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.878 10.170 15.331 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.226 10.758 15.026 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.054 13.668 14.446 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.904 12.749 13.446 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.341 13.487 12.699 1.00 0.00 H new ATOM 120 N LEU A 11 -6.699 10.516 9.784 1.00 0.00 N ATOM 121 CA LEU A 11 -6.143 9.756 8.670 1.00 0.00 C ATOM 122 C LEU A 11 -5.528 8.448 9.156 1.00 0.00 C ATOM 123 O LEU A 11 -6.048 7.366 8.881 1.00 0.00 O ATOM 124 CB LEU A 11 -5.088 10.586 7.936 1.00 0.00 C ATOM 125 CG LEU A 11 -4.115 9.806 7.052 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.872 8.970 6.032 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.149 10.754 6.357 1.00 0.00 C ATOM 0 H LEU A 11 -6.068 11.216 10.174 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.955 9.521 7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.600 11.322 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.511 11.140 8.676 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.538 9.132 7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.162 8.422 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.522 8.264 6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.475 9.623 5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.464 10.181 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.709 11.453 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.581 11.308 7.105 1.00 0.00 H new ATOM 139 N TRP A 12 -4.421 8.554 9.882 1.00 0.00 N ATOM 140 CA TRP A 12 -3.737 7.379 10.409 1.00 0.00 C ATOM 141 C TRP A 12 -4.737 6.296 10.800 1.00 0.00 C ATOM 142 O TRP A 12 -4.544 5.120 10.490 1.00 0.00 O ATOM 143 CB TRP A 12 -2.881 7.761 11.618 1.00 0.00 C ATOM 144 CG TRP A 12 -3.640 7.747 12.911 1.00 0.00 C ATOM 145 CD1 TRP A 12 -3.995 8.830 13.664 1.00 0.00 C ATOM 146 CD2 TRP A 12 -4.136 6.595 13.601 1.00 0.00 C ATOM 147 NE1 TRP A 12 -4.681 8.419 14.782 1.00 0.00 N ATOM 148 CE2 TRP A 12 -4.782 7.053 14.766 1.00 0.00 C ATOM 149 CE3 TRP A 12 -4.099 5.221 13.348 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.383 6.186 15.674 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -4.695 4.361 14.250 1.00 0.00 C ATOM 152 CH2 TRP A 12 -5.331 4.846 15.401 1.00 0.00 C ATOM 0 H TRP A 12 -3.978 9.442 10.119 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.091 6.984 9.625 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.040 7.072 11.691 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.465 8.756 11.460 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.770 9.857 13.417 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.055 9.032 15.507 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.613 4.838 12.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.873 6.557 16.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.670 3.297 14.065 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -5.789 4.148 16.086 1.00 0.00 H new ATOM 163 N ASP A 13 -5.804 6.700 11.480 1.00 0.00 N ATOM 164 CA ASP A 13 -6.835 5.764 11.911 1.00 0.00 C ATOM 165 C ASP A 13 -7.629 5.242 10.718 1.00 0.00 C ATOM 166 O ASP A 13 -7.845 4.038 10.581 1.00 0.00 O ATOM 167 CB ASP A 13 -7.776 6.435 12.913 1.00 0.00 C ATOM 168 CG ASP A 13 -9.082 5.681 13.075 1.00 0.00 C ATOM 169 OD1 ASP A 13 -9.090 4.453 12.849 1.00 0.00 O ATOM 170 OD2 ASP A 13 -10.095 6.320 13.428 1.00 0.00 O ATOM 0 H ASP A 13 -5.977 7.670 11.745 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.345 4.919 12.395 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.280 6.508 13.881 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.986 7.453 12.585 1.00 0.00 H new ATOM 175 N TYR A 14 -8.063 6.157 9.858 1.00 0.00 N ATOM 176 CA TYR A 14 -8.837 5.790 8.678 1.00 0.00 C ATOM 177 C TYR A 14 -8.265 4.538 8.019 1.00 0.00 C ATOM 178 O TYR A 14 -8.971 3.814 7.316 1.00 0.00 O ATOM 179 CB TYR A 14 -8.855 6.945 7.675 1.00 0.00 C ATOM 180 CG TYR A 14 -9.113 6.506 6.251 1.00 0.00 C ATOM 181 CD1 TYR A 14 -8.070 6.100 5.429 1.00 0.00 C ATOM 182 CD2 TYR A 14 -10.401 6.497 5.728 1.00 0.00 C ATOM 183 CE1 TYR A 14 -8.300 5.699 4.127 1.00 0.00 C ATOM 184 CE2 TYR A 14 -10.641 6.096 4.428 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.588 5.699 3.631 1.00 0.00 C ATOM 186 OH TYR A 14 -9.822 5.299 2.336 1.00 0.00 O ATOM 0 H TYR A 14 -7.892 7.158 9.956 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.858 5.577 8.996 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.623 7.660 7.971 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.899 7.467 7.718 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.061 6.098 5.814 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -11.228 6.809 6.349 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.477 5.387 3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.648 6.093 4.038 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.771 5.080 2.228 1.00 0.00 H new ATOM 196 N VAL A 15 -6.980 4.289 8.252 1.00 0.00 N ATOM 197 CA VAL A 15 -6.312 3.125 7.683 1.00 0.00 C ATOM 198 C VAL A 15 -7.018 1.835 8.085 1.00 0.00 C ATOM 199 O VAL A 15 -7.585 1.137 7.245 1.00 0.00 O ATOM 200 CB VAL A 15 -4.839 3.051 8.127 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.139 1.875 7.463 1.00 0.00 C ATOM 202 CG2 VAL A 15 -4.122 4.355 7.812 1.00 0.00 C ATOM 0 H VAL A 15 -6.381 4.878 8.831 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.352 3.235 6.599 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.810 2.898 9.206 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.099 1.839 7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.639 0.948 7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.176 1.994 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.082 4.285 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.159 4.541 6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.610 5.175 8.339 1.00 0.00 H new ATOM 212 N TYR A 16 -6.980 1.525 9.376 1.00 0.00 N ATOM 213 CA TYR A 16 -7.614 0.317 9.891 1.00 0.00 C ATOM 214 C TYR A 16 -8.917 0.028 9.151 1.00 0.00 C ATOM 215 O TYR A 16 -9.072 -1.025 8.534 1.00 0.00 O ATOM 216 CB TYR A 16 -7.887 0.458 11.390 1.00 0.00 C ATOM 217 CG TYR A 16 -7.910 -0.862 12.127 1.00 0.00 C ATOM 218 CD1 TYR A 16 -6.757 -1.627 12.258 1.00 0.00 C ATOM 219 CD2 TYR A 16 -9.084 -1.344 12.692 1.00 0.00 C ATOM 220 CE1 TYR A 16 -6.773 -2.834 12.931 1.00 0.00 C ATOM 221 CE2 TYR A 16 -9.109 -2.549 13.368 1.00 0.00 C ATOM 222 CZ TYR A 16 -7.951 -3.290 13.484 1.00 0.00 C ATOM 223 OH TYR A 16 -7.973 -4.491 14.155 1.00 0.00 O ATOM 0 H TYR A 16 -6.517 2.093 10.085 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.932 -0.518 9.729 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.123 1.098 11.831 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.844 0.960 11.531 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.833 -1.272 11.826 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.993 -0.767 12.601 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.868 -3.417 13.023 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.030 -2.909 13.803 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.880 -4.665 14.484 1.00 0.00 H new ATOM 233 N GLN A 17 -9.849 0.973 9.217 1.00 0.00 N ATOM 234 CA GLN A 17 -11.139 0.821 8.554 1.00 0.00 C ATOM 235 C GLN A 17 -10.987 0.071 7.234 1.00 0.00 C ATOM 236 O GLN A 17 -11.795 -0.798 6.906 1.00 0.00 O ATOM 237 CB GLN A 17 -11.773 2.191 8.306 1.00 0.00 C ATOM 238 CG GLN A 17 -12.033 2.981 9.578 1.00 0.00 C ATOM 239 CD GLN A 17 -12.946 2.250 10.543 1.00 0.00 C ATOM 240 OE1 GLN A 17 -13.681 1.342 10.153 1.00 0.00 O ATOM 241 NE2 GLN A 17 -12.904 2.642 11.811 1.00 0.00 N ATOM 0 H GLN A 17 -9.735 1.852 9.722 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.790 0.241 9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.120 2.772 7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.715 2.055 7.774 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.084 3.192 10.071 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.478 3.942 9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.280 3.399 12.090 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.496 2.186 12.506 1.00 0.00 H new ATOM 250 N LEU A 18 -9.947 0.413 6.482 1.00 0.00 N ATOM 251 CA LEU A 18 -9.689 -0.228 5.197 1.00 0.00 C ATOM 252 C LEU A 18 -9.228 -1.669 5.390 1.00 0.00 C ATOM 253 O LEU A 18 -9.811 -2.599 4.830 1.00 0.00 O ATOM 254 CB LEU A 18 -8.634 0.557 4.416 1.00 0.00 C ATOM 255 CG LEU A 18 -9.038 1.962 3.966 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.926 2.602 3.150 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.331 1.913 3.164 1.00 0.00 C ATOM 0 H LEU A 18 -9.269 1.130 6.739 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.620 -0.237 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.740 0.638 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.360 -0.021 3.533 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.206 2.573 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.232 3.601 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.023 2.671 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.725 1.993 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.604 2.921 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.190 1.286 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.127 1.497 3.782 1.00 0.00 H new ATOM 269 N LEU A 19 -8.180 -1.847 6.187 1.00 0.00 N ATOM 270 CA LEU A 19 -7.642 -3.176 6.456 1.00 0.00 C ATOM 271 C LEU A 19 -8.760 -4.162 6.777 1.00 0.00 C ATOM 272 O LEU A 19 -8.860 -5.224 6.161 1.00 0.00 O ATOM 273 CB LEU A 19 -6.648 -3.119 7.618 1.00 0.00 C ATOM 274 CG LEU A 19 -5.184 -2.895 7.238 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.799 -3.772 6.057 1.00 0.00 C ATOM 276 CD2 LEU A 19 -4.934 -1.428 6.920 1.00 0.00 C ATOM 0 H LEU A 19 -7.686 -1.089 6.658 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.126 -3.520 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.954 -2.319 8.293 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.719 -4.052 8.177 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.561 -3.173 8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.754 -3.599 5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.939 -4.820 6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.428 -3.526 5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.887 -1.287 6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.566 -1.124 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.169 -0.821 7.794 1.00 0.00 H new ATOM 288 N SER A 20 -9.600 -3.803 7.742 1.00 0.00 N ATOM 289 CA SER A 20 -10.711 -4.657 8.146 1.00 0.00 C ATOM 290 C SER A 20 -11.389 -5.278 6.928 1.00 0.00 C ATOM 291 O SER A 20 -11.657 -6.479 6.898 1.00 0.00 O ATOM 292 CB SER A 20 -11.730 -3.855 8.957 1.00 0.00 C ATOM 293 OG SER A 20 -12.583 -4.713 9.695 1.00 0.00 O ATOM 0 H SER A 20 -9.533 -2.926 8.259 1.00 0.00 H new ATOM 0 HA SER A 20 -10.313 -5.459 8.768 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.209 -3.182 9.638 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.325 -3.234 8.287 1.00 0.00 H new ATOM 0 HG SER A 20 -13.224 -4.176 10.206 1.00 0.00 H new ATOM 299 N ASP A 21 -11.663 -4.450 5.926 1.00 0.00 N ATOM 300 CA ASP A 21 -12.309 -4.916 4.704 1.00 0.00 C ATOM 301 C ASP A 21 -11.277 -5.426 3.704 1.00 0.00 C ATOM 302 O ASP A 21 -10.416 -4.673 3.247 1.00 0.00 O ATOM 303 CB ASP A 21 -13.134 -3.791 4.077 1.00 0.00 C ATOM 304 CG ASP A 21 -14.303 -4.314 3.266 1.00 0.00 C ATOM 305 OD1 ASP A 21 -14.792 -5.420 3.575 1.00 0.00 O ATOM 306 OD2 ASP A 21 -14.729 -3.617 2.321 1.00 0.00 O ATOM 0 H ASP A 21 -11.448 -3.453 5.936 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.973 -5.740 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.506 -3.135 4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.492 -3.187 3.436 1.00 0.00 H new ATOM 311 N SER A 22 -11.368 -6.709 3.369 1.00 0.00 N ATOM 312 CA SER A 22 -10.438 -7.321 2.426 1.00 0.00 C ATOM 313 C SER A 22 -10.591 -6.708 1.037 1.00 0.00 C ATOM 314 O SER A 22 -9.623 -6.601 0.284 1.00 0.00 O ATOM 315 CB SER A 22 -10.669 -8.832 2.357 1.00 0.00 C ATOM 316 OG SER A 22 -10.199 -9.473 3.530 1.00 0.00 O ATOM 0 H SER A 22 -12.076 -7.345 3.736 1.00 0.00 H new ATOM 0 HA SER A 22 -9.424 -7.131 2.779 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.732 -9.035 2.229 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.159 -9.242 1.485 1.00 0.00 H new ATOM 0 HG SER A 22 -10.359 -10.437 3.462 1.00 0.00 H new ATOM 322 N ARG A 23 -11.814 -6.307 0.705 1.00 0.00 N ATOM 323 CA ARG A 23 -12.095 -5.706 -0.593 1.00 0.00 C ATOM 324 C ARG A 23 -11.067 -4.630 -0.927 1.00 0.00 C ATOM 325 O ARG A 23 -10.835 -4.321 -2.097 1.00 0.00 O ATOM 326 CB ARG A 23 -13.502 -5.105 -0.606 1.00 0.00 C ATOM 327 CG ARG A 23 -14.604 -6.139 -0.766 1.00 0.00 C ATOM 328 CD ARG A 23 -15.980 -5.521 -0.569 1.00 0.00 C ATOM 329 NE ARG A 23 -17.021 -6.269 -1.269 1.00 0.00 N ATOM 330 CZ ARG A 23 -17.282 -6.128 -2.564 1.00 0.00 C ATOM 331 NH1 ARG A 23 -16.581 -5.273 -3.296 1.00 0.00 N ATOM 332 NH2 ARG A 23 -18.245 -6.844 -3.129 1.00 0.00 N ATOM 0 H ARG A 23 -12.626 -6.388 1.317 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.035 -6.489 -1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.662 -4.556 0.322 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.572 -4.383 -1.419 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.543 -6.586 -1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.458 -6.943 -0.044 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.213 -5.486 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.970 -4.492 -0.928 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.578 -6.936 -0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.839 -4.721 -2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.784 -5.167 -4.290 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.786 -7.503 -2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.445 -6.735 -4.123 1.00 0.00 H new ATOM 346 N TYR A 24 -10.455 -4.062 0.106 1.00 0.00 N ATOM 347 CA TYR A 24 -9.453 -3.018 -0.078 1.00 0.00 C ATOM 348 C TYR A 24 -8.046 -3.571 0.122 1.00 0.00 C ATOM 349 O TYR A 24 -7.157 -2.873 0.608 1.00 0.00 O ATOM 350 CB TYR A 24 -9.704 -1.865 0.895 1.00 0.00 C ATOM 351 CG TYR A 24 -11.042 -1.190 0.703 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.228 -1.868 0.960 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.122 0.126 0.264 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.454 -1.255 0.785 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.344 0.747 0.087 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.506 0.053 0.349 1.00 0.00 C ATOM 357 OH TYR A 24 -14.725 0.667 0.173 1.00 0.00 O ATOM 0 H TYR A 24 -10.635 -4.307 1.080 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.535 -2.647 -1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.640 -2.242 1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.913 -1.124 0.779 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.191 -2.892 1.302 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.214 0.673 0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.366 -1.797 0.988 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.388 1.771 -0.255 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.586 1.586 -0.137 1.00 0.00 H new ATOM 367 N GLU A 25 -7.853 -4.831 -0.257 1.00 0.00 N ATOM 368 CA GLU A 25 -6.554 -5.479 -0.120 1.00 0.00 C ATOM 369 C GLU A 25 -5.575 -4.964 -1.171 1.00 0.00 C ATOM 370 O GLU A 25 -4.502 -4.461 -0.842 1.00 0.00 O ATOM 371 CB GLU A 25 -6.700 -6.997 -0.243 1.00 0.00 C ATOM 372 CG GLU A 25 -6.979 -7.691 1.080 1.00 0.00 C ATOM 373 CD GLU A 25 -7.192 -9.184 0.922 1.00 0.00 C ATOM 374 OE1 GLU A 25 -7.894 -9.585 -0.029 1.00 0.00 O ATOM 375 OE2 GLU A 25 -6.657 -9.950 1.750 1.00 0.00 O ATOM 0 H GLU A 25 -8.579 -5.422 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.160 -5.238 0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.509 -7.221 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.787 -7.408 -0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.145 -7.517 1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.863 -7.248 1.539 1.00 0.00 H new ATOM 382 N ASN A 26 -5.954 -5.096 -2.438 1.00 0.00 N ATOM 383 CA ASN A 26 -5.110 -4.646 -3.539 1.00 0.00 C ATOM 384 C ASN A 26 -4.555 -3.252 -3.265 1.00 0.00 C ATOM 385 O ASN A 26 -3.456 -2.912 -3.704 1.00 0.00 O ATOM 386 CB ASN A 26 -5.902 -4.643 -4.849 1.00 0.00 C ATOM 387 CG ASN A 26 -6.927 -5.760 -4.907 1.00 0.00 C ATOM 388 OD1 ASN A 26 -6.577 -6.932 -5.043 1.00 0.00 O ATOM 389 ND2 ASN A 26 -8.201 -5.399 -4.804 1.00 0.00 N ATOM 0 H ASN A 26 -6.840 -5.511 -2.728 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.274 -5.340 -3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.407 -3.684 -4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.213 -4.742 -5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.936 -6.106 -4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.445 -4.415 -4.692 1.00 0.00 H new ATOM 396 N PHE A 27 -5.322 -2.449 -2.535 1.00 0.00 N ATOM 397 CA PHE A 27 -4.908 -1.091 -2.201 1.00 0.00 C ATOM 398 C PHE A 27 -4.040 -1.080 -0.946 1.00 0.00 C ATOM 399 O PHE A 27 -3.037 -0.369 -0.878 1.00 0.00 O ATOM 400 CB PHE A 27 -6.133 -0.197 -1.995 1.00 0.00 C ATOM 401 CG PHE A 27 -6.792 0.220 -3.279 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.078 0.902 -4.251 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.127 -0.070 -3.513 1.00 0.00 C ATOM 404 CE1 PHE A 27 -6.682 1.286 -5.433 1.00 0.00 C ATOM 405 CE2 PHE A 27 -8.736 0.312 -4.693 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.013 0.992 -5.654 1.00 0.00 C ATOM 0 H PHE A 27 -6.234 -2.715 -2.163 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.319 -0.703 -3.032 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.859 -0.726 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.834 0.694 -1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.037 1.136 -4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.697 -0.600 -2.765 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.114 1.816 -6.183 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.777 0.079 -4.864 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.488 1.293 -6.576 1.00 0.00 H new ATOM 416 N ILE A 28 -4.433 -1.873 0.045 1.00 0.00 N ATOM 417 CA ILE A 28 -3.692 -1.955 1.297 1.00 0.00 C ATOM 418 C ILE A 28 -4.042 -3.228 2.061 1.00 0.00 C ATOM 419 O ILE A 28 -5.208 -3.486 2.357 1.00 0.00 O ATOM 420 CB ILE A 28 -3.971 -0.737 2.198 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.139 -0.822 3.479 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.454 -0.650 2.527 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.026 0.495 4.214 1.00 0.00 C ATOM 0 H ILE A 28 -5.261 -2.468 0.005 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.634 -1.969 1.036 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.685 0.167 1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.584 -1.563 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.139 -1.177 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.635 0.216 3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.026 -0.548 1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.765 -1.556 3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.423 0.360 5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.553 1.234 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.021 0.842 4.494 1.00 0.00 H new ATOM 435 N ARG A 29 -3.023 -4.020 2.377 1.00 0.00 N ATOM 436 CA ARG A 29 -3.222 -5.267 3.107 1.00 0.00 C ATOM 437 C ARG A 29 -2.295 -5.342 4.317 1.00 0.00 C ATOM 438 O ARG A 29 -1.406 -4.508 4.483 1.00 0.00 O ATOM 439 CB ARG A 29 -2.978 -6.465 2.188 1.00 0.00 C ATOM 440 CG ARG A 29 -1.652 -6.404 1.447 1.00 0.00 C ATOM 441 CD ARG A 29 -1.650 -7.320 0.233 1.00 0.00 C ATOM 442 NE ARG A 29 -1.486 -8.723 0.607 1.00 0.00 N ATOM 443 CZ ARG A 29 -0.314 -9.272 0.903 1.00 0.00 C ATOM 444 NH1 ARG A 29 0.792 -8.541 0.871 1.00 0.00 N ATOM 445 NH2 ARG A 29 -0.245 -10.555 1.234 1.00 0.00 N ATOM 0 H ARG A 29 -2.051 -3.821 2.139 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.253 -5.293 3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.012 -7.379 2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.788 -6.526 1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.457 -5.379 1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.844 -6.689 2.121 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.584 -7.198 -0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.844 -7.028 -0.441 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.317 -9.313 0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.744 -7.554 0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.691 -8.966 1.099 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.093 -11.121 1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.656 -10.975 1.461 1.00 0.00 H new ATOM 459 N TRP A 30 -2.511 -6.347 5.159 1.00 0.00 N ATOM 460 CA TRP A 30 -1.695 -6.531 6.354 1.00 0.00 C ATOM 461 C TRP A 30 -0.361 -7.182 6.007 1.00 0.00 C ATOM 462 O TRP A 30 -0.321 -8.281 5.455 1.00 0.00 O ATOM 463 CB TRP A 30 -2.442 -7.385 7.379 1.00 0.00 C ATOM 464 CG TRP A 30 -3.437 -6.609 8.188 1.00 0.00 C ATOM 465 CD1 TRP A 30 -4.795 -6.756 8.178 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.152 -5.562 9.122 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.371 -5.865 9.050 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.384 -5.122 9.643 1.00 0.00 C ATOM 469 CE3 TRP A 30 -1.976 -4.957 9.572 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.471 -4.103 10.588 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -2.064 -3.945 10.510 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.304 -3.527 11.010 1.00 0.00 C ATOM 0 H TRP A 30 -3.244 -7.046 5.036 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.498 -5.549 6.784 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.958 -8.193 6.861 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.719 -7.847 8.052 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.336 -7.468 7.573 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.371 -5.771 9.227 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.015 -5.274 9.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.426 -3.779 10.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.161 -3.469 10.863 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.339 -2.735 11.743 1.00 0.00 H new ATOM 483 N GLU A 31 0.730 -6.496 6.335 1.00 0.00 N ATOM 484 CA GLU A 31 2.066 -7.009 6.056 1.00 0.00 C ATOM 485 C GLU A 31 2.532 -7.946 7.168 1.00 0.00 C ATOM 486 O GLU A 31 3.005 -9.051 6.905 1.00 0.00 O ATOM 487 CB GLU A 31 3.058 -5.854 5.899 1.00 0.00 C ATOM 488 CG GLU A 31 3.113 -5.287 4.490 1.00 0.00 C ATOM 489 CD GLU A 31 3.594 -6.302 3.471 1.00 0.00 C ATOM 490 OE1 GLU A 31 4.574 -7.018 3.763 1.00 0.00 O ATOM 491 OE2 GLU A 31 2.989 -6.379 2.381 1.00 0.00 O ATOM 0 H GLU A 31 0.715 -5.585 6.794 1.00 0.00 H new ATOM 0 HA GLU A 31 2.024 -7.572 5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.788 -5.057 6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.052 -6.199 6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.122 -4.934 4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.776 -4.422 4.476 1.00 0.00 H new ATOM 498 N ASP A 32 2.395 -7.494 8.410 1.00 0.00 N ATOM 499 CA ASP A 32 2.801 -8.291 9.562 1.00 0.00 C ATOM 500 C ASP A 32 1.729 -8.262 10.647 1.00 0.00 C ATOM 501 O ASP A 32 1.810 -7.480 11.594 1.00 0.00 O ATOM 502 CB ASP A 32 4.127 -7.776 10.123 1.00 0.00 C ATOM 503 CG ASP A 32 4.946 -8.874 10.773 1.00 0.00 C ATOM 504 OD1 ASP A 32 4.488 -9.430 11.793 1.00 0.00 O ATOM 505 OD2 ASP A 32 6.044 -9.177 10.262 1.00 0.00 O ATOM 0 H ASP A 32 2.006 -6.581 8.645 1.00 0.00 H new ATOM 0 HA ASP A 32 2.931 -9.322 9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.706 -7.322 9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.929 -6.993 10.855 1.00 0.00 H new ATOM 510 N LYS A 33 0.724 -9.119 10.502 1.00 0.00 N ATOM 511 CA LYS A 33 -0.365 -9.192 11.468 1.00 0.00 C ATOM 512 C LYS A 33 0.176 -9.316 12.889 1.00 0.00 C ATOM 513 O LYS A 33 -0.388 -8.756 13.828 1.00 0.00 O ATOM 514 CB LYS A 33 -1.275 -10.382 11.153 1.00 0.00 C ATOM 515 CG LYS A 33 -2.394 -10.050 10.181 1.00 0.00 C ATOM 516 CD LYS A 33 -3.619 -9.514 10.903 1.00 0.00 C ATOM 517 CE LYS A 33 -4.859 -9.586 10.026 1.00 0.00 C ATOM 518 NZ LYS A 33 -5.267 -10.992 9.756 1.00 0.00 N ATOM 0 H LYS A 33 0.641 -9.773 9.724 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.943 -8.271 11.396 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.672 -11.190 10.738 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.709 -10.753 12.082 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.044 -9.312 9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.664 -10.943 9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.784 -10.086 11.816 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.443 -8.481 11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.679 -9.057 10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.666 -9.076 9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.273 -11.017 9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.696 -11.375 8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.117 -11.567 10.610 1.00 0.00 H new ATOM 532 N GLU A 34 1.274 -10.051 13.038 1.00 0.00 N ATOM 533 CA GLU A 34 1.891 -10.246 14.345 1.00 0.00 C ATOM 534 C GLU A 34 2.248 -8.907 14.983 1.00 0.00 C ATOM 535 O GLU A 34 2.018 -8.693 16.173 1.00 0.00 O ATOM 536 CB GLU A 34 3.144 -11.114 14.217 1.00 0.00 C ATOM 537 CG GLU A 34 2.863 -12.521 13.717 1.00 0.00 C ATOM 538 CD GLU A 34 2.283 -13.417 14.794 1.00 0.00 C ATOM 539 OE1 GLU A 34 2.617 -13.211 15.980 1.00 0.00 O ATOM 540 OE2 GLU A 34 1.497 -14.325 14.452 1.00 0.00 O ATOM 0 H GLU A 34 1.754 -10.521 12.270 1.00 0.00 H new ATOM 0 HA GLU A 34 1.171 -10.753 14.987 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.844 -10.629 13.536 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.635 -11.174 15.189 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.170 -12.473 12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.787 -12.961 13.342 1.00 0.00 H new ATOM 547 N SER A 35 2.813 -8.009 14.182 1.00 0.00 N ATOM 548 CA SER A 35 3.207 -6.691 14.669 1.00 0.00 C ATOM 549 C SER A 35 2.292 -5.608 14.106 1.00 0.00 C ATOM 550 O SER A 35 2.665 -4.437 14.038 1.00 0.00 O ATOM 551 CB SER A 35 4.659 -6.397 14.287 1.00 0.00 C ATOM 552 OG SER A 35 5.552 -7.255 14.978 1.00 0.00 O ATOM 0 H SER A 35 3.008 -8.169 13.194 1.00 0.00 H new ATOM 0 HA SER A 35 3.117 -6.690 15.755 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.788 -6.522 13.212 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.896 -5.358 14.518 1.00 0.00 H new ATOM 0 HG SER A 35 6.473 -7.048 14.715 1.00 0.00 H new ATOM 558 N LYS A 36 1.091 -6.008 13.703 1.00 0.00 N ATOM 559 CA LYS A 36 0.120 -5.074 13.146 1.00 0.00 C ATOM 560 C LYS A 36 0.784 -4.126 12.153 1.00 0.00 C ATOM 561 O LYS A 36 0.602 -2.910 12.224 1.00 0.00 O ATOM 562 CB LYS A 36 -0.546 -4.271 14.266 1.00 0.00 C ATOM 563 CG LYS A 36 -1.700 -4.999 14.933 1.00 0.00 C ATOM 564 CD LYS A 36 -2.130 -4.306 16.215 1.00 0.00 C ATOM 565 CE LYS A 36 -3.271 -5.049 16.895 1.00 0.00 C ATOM 566 NZ LYS A 36 -2.858 -6.407 17.345 1.00 0.00 N ATOM 0 H LYS A 36 0.767 -6.974 13.752 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.640 -5.651 12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.202 -4.026 15.020 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.909 -3.328 13.859 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.544 -5.051 14.246 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.405 -6.025 15.154 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.281 -4.239 16.896 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.441 -3.285 15.992 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.620 -4.473 17.752 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.111 -5.135 16.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.586 -6.800 17.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.744 -7.027 16.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.955 -6.343 17.857 1.00 0.00 H new ATOM 580 N ILE A 37 1.552 -4.690 11.227 1.00 0.00 N ATOM 581 CA ILE A 37 2.240 -3.895 10.218 1.00 0.00 C ATOM 582 C ILE A 37 1.451 -3.859 8.913 1.00 0.00 C ATOM 583 O ILE A 37 1.074 -4.900 8.375 1.00 0.00 O ATOM 584 CB ILE A 37 3.652 -4.443 9.936 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.509 -4.382 11.202 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.308 -3.660 8.808 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.887 -4.980 11.028 1.00 0.00 C ATOM 0 H ILE A 37 1.713 -5.695 11.155 1.00 0.00 H new ATOM 0 HA ILE A 37 2.324 -2.884 10.617 1.00 0.00 H new ATOM 0 HB ILE A 37 3.566 -5.485 9.628 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.610 -3.342 11.513 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.993 -4.907 12.006 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.305 -4.059 8.620 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.705 -3.750 7.904 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.384 -2.610 9.090 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.438 -4.902 11.965 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.795 -6.029 10.747 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.422 -4.440 10.246 1.00 0.00 H new ATOM 599 N PHE A 38 1.206 -2.654 8.409 1.00 0.00 N ATOM 600 CA PHE A 38 0.463 -2.482 7.167 1.00 0.00 C ATOM 601 C PHE A 38 1.300 -1.739 6.130 1.00 0.00 C ATOM 602 O PHE A 38 2.292 -1.091 6.466 1.00 0.00 O ATOM 603 CB PHE A 38 -0.839 -1.721 7.428 1.00 0.00 C ATOM 604 CG PHE A 38 -0.630 -0.376 8.062 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.186 -0.273 9.370 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.877 0.786 7.349 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.007 0.963 9.956 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.686 2.026 7.930 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.243 2.115 9.235 1.00 0.00 C ATOM 0 H PHE A 38 1.511 -1.782 8.842 1.00 0.00 H new ATOM 0 HA PHE A 38 0.226 -3.471 6.775 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.370 -1.591 6.485 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.479 -2.323 8.073 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.012 -1.170 9.939 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.223 0.722 6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.353 1.029 10.977 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.883 2.924 7.364 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.092 3.082 9.691 1.00 0.00 H new ATOM 619 N ARG A 39 0.894 -1.838 4.869 1.00 0.00 N ATOM 620 CA ARG A 39 1.607 -1.177 3.782 1.00 0.00 C ATOM 621 C ARG A 39 0.648 -0.787 2.661 1.00 0.00 C ATOM 622 O ARG A 39 -0.153 -1.603 2.204 1.00 0.00 O ATOM 623 CB ARG A 39 2.705 -2.091 3.234 1.00 0.00 C ATOM 624 CG ARG A 39 3.352 -1.569 1.962 1.00 0.00 C ATOM 625 CD ARG A 39 3.833 -2.707 1.075 1.00 0.00 C ATOM 626 NE ARG A 39 2.739 -3.583 0.666 1.00 0.00 N ATOM 627 CZ ARG A 39 2.909 -4.681 -0.061 1.00 0.00 C ATOM 628 NH1 ARG A 39 4.124 -5.036 -0.458 1.00 0.00 N ATOM 629 NH2 ARG A 39 1.863 -5.428 -0.393 1.00 0.00 N ATOM 0 H ARG A 39 0.075 -2.370 4.574 1.00 0.00 H new ATOM 0 HA ARG A 39 2.063 -0.270 4.178 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.473 -2.219 3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.282 -3.076 3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.637 -0.956 1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.193 -0.925 2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.318 -2.296 0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.584 -3.290 1.609 1.00 0.00 H new ATOM 0 HE ARG A 39 1.792 -3.338 0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.930 -4.465 -0.205 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.252 -5.880 -1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.927 -5.159 -0.090 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.995 -6.271 -0.952 1.00 0.00 H new ATOM 643 N ILE A 40 0.736 0.465 2.224 1.00 0.00 N ATOM 644 CA ILE A 40 -0.123 0.963 1.156 1.00 0.00 C ATOM 645 C ILE A 40 0.321 0.428 -0.201 1.00 0.00 C ATOM 646 O ILE A 40 1.178 1.015 -0.861 1.00 0.00 O ATOM 647 CB ILE A 40 -0.131 2.502 1.111 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.962 3.064 2.267 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.673 2.990 -0.224 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.865 4.567 2.407 1.00 0.00 C ATOM 0 H ILE A 40 1.393 1.153 2.593 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.131 0.609 1.371 1.00 0.00 H new ATOM 0 HB ILE A 40 0.893 2.859 1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.006 2.788 2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.636 2.599 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.672 4.080 -0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.044 2.615 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.692 2.626 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.479 4.895 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.173 4.850 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.219 5.041 1.491 1.00 0.00 H new ATOM 662 N VAL A 41 -0.269 -0.689 -0.613 1.00 0.00 N ATOM 663 CA VAL A 41 0.063 -1.302 -1.893 1.00 0.00 C ATOM 664 C VAL A 41 0.086 -0.265 -3.010 1.00 0.00 C ATOM 665 O VAL A 41 1.011 -0.231 -3.821 1.00 0.00 O ATOM 666 CB VAL A 41 -0.939 -2.413 -2.260 1.00 0.00 C ATOM 667 CG1 VAL A 41 -0.582 -3.033 -3.603 1.00 0.00 C ATOM 668 CG2 VAL A 41 -0.983 -3.473 -1.170 1.00 0.00 C ATOM 0 H VAL A 41 -0.980 -1.188 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 41 1.056 -1.739 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.931 -1.969 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.301 -3.816 -3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.607 -2.265 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.418 -3.463 -3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.696 -4.250 -1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.007 -3.914 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.291 -3.016 -0.230 1.00 0.00 H new ATOM 678 N ASP A 42 -0.938 0.581 -3.045 1.00 0.00 N ATOM 679 CA ASP A 42 -1.035 1.622 -4.062 1.00 0.00 C ATOM 680 C ASP A 42 -1.470 2.947 -3.443 1.00 0.00 C ATOM 681 O ASP A 42 -2.634 3.144 -3.094 1.00 0.00 O ATOM 682 CB ASP A 42 -2.020 1.207 -5.155 1.00 0.00 C ATOM 683 CG ASP A 42 -1.715 1.860 -6.488 1.00 0.00 C ATOM 684 OD1 ASP A 42 -0.785 1.393 -7.180 1.00 0.00 O ATOM 685 OD2 ASP A 42 -2.406 2.839 -6.841 1.00 0.00 O ATOM 0 H ASP A 42 -1.712 0.566 -2.381 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.048 1.756 -4.506 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.995 0.123 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.032 1.471 -4.847 1.00 0.00 H new ATOM 690 N PRO A 43 -0.514 3.877 -3.302 1.00 0.00 N ATOM 691 CA PRO A 43 -0.775 5.199 -2.724 1.00 0.00 C ATOM 692 C PRO A 43 -1.628 6.073 -3.638 1.00 0.00 C ATOM 693 O PRO A 43 -2.543 6.756 -3.182 1.00 0.00 O ATOM 694 CB PRO A 43 0.624 5.798 -2.564 1.00 0.00 C ATOM 695 CG PRO A 43 1.454 5.102 -3.586 1.00 0.00 C ATOM 696 CD PRO A 43 0.895 3.710 -3.696 1.00 0.00 C ATOM 0 HA PRO A 43 -1.335 5.133 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.614 6.875 -2.729 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.013 5.633 -1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.407 5.618 -4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.502 5.079 -3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.985 3.319 -4.710 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.416 3.014 -3.039 1.00 0.00 H new ATOM 704 N ASN A 44 -1.320 6.046 -4.931 1.00 0.00 N ATOM 705 CA ASN A 44 -2.059 6.836 -5.909 1.00 0.00 C ATOM 706 C ASN A 44 -3.556 6.560 -5.812 1.00 0.00 C ATOM 707 O ASN A 44 -4.372 7.480 -5.858 1.00 0.00 O ATOM 708 CB ASN A 44 -1.562 6.529 -7.323 1.00 0.00 C ATOM 709 CG ASN A 44 -1.888 7.639 -8.304 1.00 0.00 C ATOM 710 OD1 ASN A 44 -3.023 8.111 -8.370 1.00 0.00 O ATOM 711 ND2 ASN A 44 -0.890 8.062 -9.071 1.00 0.00 N ATOM 0 H ASN A 44 -0.564 5.486 -5.325 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.888 7.890 -5.692 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.483 6.373 -7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.011 5.598 -7.669 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.048 8.807 -9.749 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.035 7.642 -8.982 1.00 0.00 H new ATOM 718 N GLY A 45 -3.910 5.285 -5.678 1.00 0.00 N ATOM 719 CA GLY A 45 -5.308 4.910 -5.577 1.00 0.00 C ATOM 720 C GLY A 45 -5.866 5.121 -4.183 1.00 0.00 C ATOM 721 O GLY A 45 -6.931 5.716 -4.016 1.00 0.00 O ATOM 0 H GLY A 45 -3.253 4.506 -5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.890 5.494 -6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.421 3.862 -5.855 1.00 0.00 H new ATOM 725 N LEU A 46 -5.145 4.632 -3.179 1.00 0.00 N ATOM 726 CA LEU A 46 -5.575 4.769 -1.792 1.00 0.00 C ATOM 727 C LEU A 46 -5.944 6.215 -1.476 1.00 0.00 C ATOM 728 O LEU A 46 -7.055 6.499 -1.029 1.00 0.00 O ATOM 729 CB LEU A 46 -4.470 4.295 -0.846 1.00 0.00 C ATOM 730 CG LEU A 46 -4.908 3.944 0.576 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.510 5.160 1.264 1.00 0.00 C ATOM 732 CD2 LEU A 46 -5.903 2.793 0.559 1.00 0.00 C ATOM 0 H LEU A 46 -4.261 4.138 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.459 4.148 -1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.995 3.418 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.710 5.074 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.029 3.630 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.816 4.892 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.768 5.957 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.378 5.504 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.204 2.557 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.781 3.079 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.439 1.917 0.106 1.00 0.00 H new ATOM 744 N ALA A 47 -5.005 7.125 -1.714 1.00 0.00 N ATOM 745 CA ALA A 47 -5.233 8.542 -1.458 1.00 0.00 C ATOM 746 C ALA A 47 -6.600 8.980 -1.974 1.00 0.00 C ATOM 747 O ALA A 47 -7.338 9.683 -1.284 1.00 0.00 O ATOM 748 CB ALA A 47 -4.134 9.377 -2.098 1.00 0.00 C ATOM 0 H ALA A 47 -4.080 6.906 -2.083 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.213 8.699 -0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.317 10.433 -1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.169 9.091 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.128 9.206 -3.175 1.00 0.00 H new ATOM 754 N ARG A 48 -6.930 8.561 -3.191 1.00 0.00 N ATOM 755 CA ARG A 48 -8.208 8.911 -3.800 1.00 0.00 C ATOM 756 C ARG A 48 -9.358 8.668 -2.827 1.00 0.00 C ATOM 757 O ARG A 48 -10.267 9.490 -2.706 1.00 0.00 O ATOM 758 CB ARG A 48 -8.427 8.102 -5.079 1.00 0.00 C ATOM 759 CG ARG A 48 -7.321 8.275 -6.107 1.00 0.00 C ATOM 760 CD ARG A 48 -7.529 9.528 -6.943 1.00 0.00 C ATOM 761 NE ARG A 48 -8.651 9.388 -7.869 1.00 0.00 N ATOM 762 CZ ARG A 48 -8.567 8.759 -9.035 1.00 0.00 C ATOM 763 NH1 ARG A 48 -7.420 8.214 -9.417 1.00 0.00 N ATOM 764 NH2 ARG A 48 -9.631 8.673 -9.823 1.00 0.00 N ATOM 0 H ARG A 48 -6.330 7.979 -3.775 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.185 9.972 -4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.510 7.046 -4.821 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.376 8.396 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.357 8.330 -5.601 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.289 7.402 -6.759 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.706 10.378 -6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.620 9.744 -7.505 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.548 9.796 -7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.600 8.278 -8.814 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.358 7.731 -10.313 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.515 9.091 -9.533 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.565 8.189 -10.719 1.00 0.00 H new ATOM 778 N LEU A 49 -9.313 7.533 -2.138 1.00 0.00 N ATOM 779 CA LEU A 49 -10.351 7.180 -1.176 1.00 0.00 C ATOM 780 C LEU A 49 -10.331 8.128 0.019 1.00 0.00 C ATOM 781 O LEU A 49 -11.378 8.574 0.488 1.00 0.00 O ATOM 782 CB LEU A 49 -10.166 5.738 -0.702 1.00 0.00 C ATOM 783 CG LEU A 49 -10.367 4.652 -1.760 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.719 3.349 -1.317 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.849 4.446 -2.037 1.00 0.00 C ATOM 0 H LEU A 49 -8.569 6.841 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.317 7.271 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.161 5.637 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.862 5.553 0.116 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.887 4.977 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.872 2.588 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.650 3.506 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.169 3.018 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.974 3.670 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.352 4.143 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.284 5.377 -2.399 1.00 0.00 H new ATOM 797 N TRP A 50 -9.133 8.431 0.506 1.00 0.00 N ATOM 798 CA TRP A 50 -8.977 9.328 1.646 1.00 0.00 C ATOM 799 C TRP A 50 -9.424 10.742 1.292 1.00 0.00 C ATOM 800 O TRP A 50 -9.910 11.482 2.146 1.00 0.00 O ATOM 801 CB TRP A 50 -7.521 9.343 2.113 1.00 0.00 C ATOM 802 CG TRP A 50 -7.165 10.561 2.910 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.451 11.643 2.479 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.505 10.821 4.276 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.327 12.559 3.495 1.00 0.00 N ATOM 806 CE2 TRP A 50 -6.965 12.079 4.608 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.214 10.114 5.251 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.113 12.642 5.873 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.359 10.675 6.506 1.00 0.00 C ATOM 810 CH2 TRP A 50 -7.812 11.929 6.808 1.00 0.00 C ATOM 0 H TRP A 50 -8.256 8.069 0.130 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.608 8.960 2.455 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.331 8.455 2.716 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.867 9.283 1.243 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.044 11.761 1.486 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.839 13.452 3.431 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.641 9.147 5.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.691 13.608 6.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -8.904 10.137 7.268 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -7.945 12.340 7.798 1.00 0.00 H new ATOM 821 N GLY A 51 -9.258 11.111 0.025 1.00 0.00 N ATOM 822 CA GLY A 51 -9.650 12.436 -0.419 1.00 0.00 C ATOM 823 C GLY A 51 -11.047 12.460 -1.006 1.00 0.00 C ATOM 824 O GLY A 51 -11.684 13.511 -1.066 1.00 0.00 O ATOM 0 H GLY A 51 -8.859 10.516 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.601 13.127 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.939 12.791 -1.165 1.00 0.00 H new ATOM 828 N ASN A 52 -11.525 11.299 -1.442 1.00 0.00 N ATOM 829 CA ASN A 52 -12.855 11.192 -2.030 1.00 0.00 C ATOM 830 C ASN A 52 -13.934 11.484 -0.992 1.00 0.00 C ATOM 831 O ASN A 52 -14.707 12.432 -1.133 1.00 0.00 O ATOM 832 CB ASN A 52 -13.064 9.796 -2.620 1.00 0.00 C ATOM 833 CG ASN A 52 -12.692 9.727 -4.088 1.00 0.00 C ATOM 834 OD1 ASN A 52 -11.927 10.554 -4.586 1.00 0.00 O ATOM 835 ND2 ASN A 52 -13.233 8.738 -4.790 1.00 0.00 N ATOM 0 H ASN A 52 -11.011 10.419 -1.399 1.00 0.00 H new ATOM 0 HA ASN A 52 -12.933 11.931 -2.827 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.466 9.076 -2.062 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.108 9.506 -2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.020 8.641 -5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -13.862 8.075 -4.336 1.00 0.00 H new ATOM 842 N HIS A 53 -13.980 10.663 0.053 1.00 0.00 N ATOM 843 CA HIS A 53 -14.964 10.833 1.116 1.00 0.00 C ATOM 844 C HIS A 53 -14.654 12.074 1.948 1.00 0.00 C ATOM 845 O HIS A 53 -15.481 12.524 2.743 1.00 0.00 O ATOM 846 CB HIS A 53 -14.993 9.597 2.015 1.00 0.00 C ATOM 847 CG HIS A 53 -14.020 9.659 3.152 1.00 0.00 C ATOM 848 ND1 HIS A 53 -14.271 9.104 4.389 1.00 0.00 N ATOM 849 CD2 HIS A 53 -12.788 10.213 3.233 1.00 0.00 C ATOM 850 CE1 HIS A 53 -13.236 9.316 5.182 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.322 9.987 4.504 1.00 0.00 N ATOM 0 H HIS A 53 -13.348 9.874 0.186 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.943 10.961 0.655 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.999 9.473 2.415 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.779 8.715 1.412 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -15.123 8.607 4.651 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.268 10.736 2.444 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -13.151 8.995 6.210 1.00 0.00 H new ATOM 860 N LYS A 54 -13.459 12.623 1.761 1.00 0.00 N ATOM 861 CA LYS A 54 -13.040 13.812 2.493 1.00 0.00 C ATOM 862 C LYS A 54 -13.447 15.081 1.750 1.00 0.00 C ATOM 863 O LYS A 54 -13.002 16.177 2.085 1.00 0.00 O ATOM 864 CB LYS A 54 -11.524 13.798 2.706 1.00 0.00 C ATOM 865 CG LYS A 54 -11.093 13.051 3.956 1.00 0.00 C ATOM 866 CD LYS A 54 -11.489 13.800 5.218 1.00 0.00 C ATOM 867 CE LYS A 54 -10.449 14.844 5.596 1.00 0.00 C ATOM 868 NZ LYS A 54 -10.681 15.388 6.962 1.00 0.00 N ATOM 0 H LYS A 54 -12.763 12.263 1.108 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.538 13.804 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.048 13.342 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.164 14.825 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.546 12.060 3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.013 12.908 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.454 14.284 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.612 13.093 6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.454 14.401 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.472 15.658 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.551 16.420 6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.651 15.165 7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.004 14.960 7.626 1.00 0.00 H new ATOM 882 N ASN A 55 -14.297 14.922 0.741 1.00 0.00 N ATOM 883 CA ASN A 55 -14.765 16.056 -0.049 1.00 0.00 C ATOM 884 C ASN A 55 -13.590 16.830 -0.639 1.00 0.00 C ATOM 885 O ASN A 55 -13.584 18.061 -0.642 1.00 0.00 O ATOM 886 CB ASN A 55 -15.622 16.985 0.812 1.00 0.00 C ATOM 887 CG ASN A 55 -17.092 16.613 0.778 1.00 0.00 C ATOM 888 OD1 ASN A 55 -17.875 17.201 0.032 1.00 0.00 O ATOM 889 ND2 ASN A 55 -17.472 15.631 1.587 1.00 0.00 N ATOM 0 H ASN A 55 -14.676 14.020 0.451 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.371 15.670 -0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.266 16.953 1.842 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.502 18.011 0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -18.448 15.336 1.607 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.788 15.172 2.188 1.00 0.00 H new ATOM 896 N ARG A 56 -12.597 16.100 -1.137 1.00 0.00 N ATOM 897 CA ARG A 56 -11.417 16.718 -1.729 1.00 0.00 C ATOM 898 C ARG A 56 -11.072 16.064 -3.064 1.00 0.00 C ATOM 899 O ARG A 56 -10.452 15.001 -3.105 1.00 0.00 O ATOM 900 CB ARG A 56 -10.226 16.611 -0.774 1.00 0.00 C ATOM 901 CG ARG A 56 -10.359 17.483 0.464 1.00 0.00 C ATOM 902 CD ARG A 56 -9.767 18.866 0.238 1.00 0.00 C ATOM 903 NE ARG A 56 -9.333 19.486 1.487 1.00 0.00 N ATOM 904 CZ ARG A 56 -8.834 20.714 1.563 1.00 0.00 C ATOM 905 NH1 ARG A 56 -8.707 21.451 0.468 1.00 0.00 N ATOM 906 NH2 ARG A 56 -8.460 21.209 2.736 1.00 0.00 N ATOM 0 H ARG A 56 -12.586 15.080 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.639 17.770 -1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.110 15.572 -0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.317 16.888 -1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.411 17.576 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.856 17.004 1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.919 18.791 -0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.508 19.503 -0.245 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.418 18.946 2.348 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.993 21.075 -0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.323 22.394 0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.556 20.646 3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.077 22.153 2.793 1.00 0.00 H new ATOM 920 N THR A 57 -11.478 16.707 -4.154 1.00 0.00 N ATOM 921 CA THR A 57 -11.214 16.187 -5.490 1.00 0.00 C ATOM 922 C THR A 57 -9.748 16.363 -5.868 1.00 0.00 C ATOM 923 O THR A 57 -9.328 15.975 -6.957 1.00 0.00 O ATOM 924 CB THR A 57 -12.092 16.884 -6.547 1.00 0.00 C ATOM 925 OG1 THR A 57 -11.998 16.190 -7.796 1.00 0.00 O ATOM 926 CG2 THR A 57 -11.669 18.333 -6.733 1.00 0.00 C ATOM 0 H THR A 57 -11.991 17.589 -4.138 1.00 0.00 H new ATOM 0 HA THR A 57 -11.456 15.124 -5.470 1.00 0.00 H new ATOM 0 HB THR A 57 -13.125 16.866 -6.198 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.107 15.792 -7.883 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.303 18.804 -7.484 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.770 18.866 -5.787 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.630 18.370 -7.061 1.00 0.00 H new ATOM 934 N ASN A 58 -8.974 16.950 -4.962 1.00 0.00 N ATOM 935 CA ASN A 58 -7.553 17.177 -5.201 1.00 0.00 C ATOM 936 C ASN A 58 -6.720 16.712 -4.011 1.00 0.00 C ATOM 937 O ASN A 58 -6.027 17.508 -3.377 1.00 0.00 O ATOM 938 CB ASN A 58 -7.291 18.660 -5.473 1.00 0.00 C ATOM 939 CG ASN A 58 -7.596 19.047 -6.907 1.00 0.00 C ATOM 940 OD1 ASN A 58 -8.066 18.228 -7.697 1.00 0.00 O ATOM 941 ND2 ASN A 58 -7.329 20.302 -7.251 1.00 0.00 N ATOM 0 H ASN A 58 -9.306 17.277 -4.055 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.260 16.596 -6.076 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.900 19.263 -4.799 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.248 18.889 -5.252 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.513 20.620 -8.202 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.940 20.947 -6.564 1.00 0.00 H new ATOM 948 N MET A 59 -6.792 15.419 -3.714 1.00 0.00 N ATOM 949 CA MET A 59 -6.043 14.847 -2.601 1.00 0.00 C ATOM 950 C MET A 59 -4.856 14.034 -3.106 1.00 0.00 C ATOM 951 O MET A 59 -5.021 13.082 -3.869 1.00 0.00 O ATOM 952 CB MET A 59 -6.954 13.965 -1.745 1.00 0.00 C ATOM 953 CG MET A 59 -6.261 13.381 -0.524 1.00 0.00 C ATOM 954 SD MET A 59 -5.831 14.636 0.697 1.00 0.00 S ATOM 955 CE MET A 59 -7.439 14.984 1.406 1.00 0.00 C ATOM 0 H MET A 59 -7.361 14.747 -4.229 1.00 0.00 H new ATOM 0 HA MET A 59 -5.665 15.667 -1.990 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.813 14.552 -1.419 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.339 13.150 -2.359 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.912 12.638 -0.062 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.356 12.861 -0.839 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.323 15.650 2.261 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.071 15.461 0.657 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.902 14.053 1.732 1.00 0.00 H new ATOM 965 N THR A 60 -3.657 14.414 -2.675 1.00 0.00 N ATOM 966 CA THR A 60 -2.442 13.721 -3.084 1.00 0.00 C ATOM 967 C THR A 60 -1.725 13.113 -1.884 1.00 0.00 C ATOM 968 O THR A 60 -1.596 13.749 -0.838 1.00 0.00 O ATOM 969 CB THR A 60 -1.475 14.669 -3.819 1.00 0.00 C ATOM 970 OG1 THR A 60 -0.304 13.953 -4.228 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.077 15.834 -2.926 1.00 0.00 C ATOM 0 H THR A 60 -3.502 15.199 -2.042 1.00 0.00 H new ATOM 0 HA THR A 60 -2.746 12.925 -3.764 1.00 0.00 H new ATOM 0 HB THR A 60 -1.985 15.063 -4.698 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.305 14.562 -4.696 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.394 16.490 -3.466 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.967 16.394 -2.640 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.584 15.455 -2.031 1.00 0.00 H new ATOM 979 N TYR A 61 -1.260 11.879 -2.042 1.00 0.00 N ATOM 980 CA TYR A 61 -0.557 11.184 -0.970 1.00 0.00 C ATOM 981 C TYR A 61 0.346 12.142 -0.200 1.00 0.00 C ATOM 982 O TYR A 61 0.407 12.101 1.028 1.00 0.00 O ATOM 983 CB TYR A 61 0.271 10.030 -1.539 1.00 0.00 C ATOM 984 CG TYR A 61 1.099 9.309 -0.499 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.503 8.459 0.424 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.477 9.479 -0.440 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.256 7.799 1.376 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.237 8.821 0.507 1.00 0.00 C ATOM 989 CZ TYR A 61 2.622 7.983 1.413 1.00 0.00 C ATOM 990 OH TYR A 61 3.376 7.327 2.360 1.00 0.00 O ATOM 0 H TYR A 61 -1.357 11.339 -2.902 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.301 10.783 -0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.398 9.315 -2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.933 10.416 -2.314 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.567 8.312 0.397 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.962 10.137 -1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.777 7.142 2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.307 8.962 0.538 1.00 0.00 H new ATOM 0 HH TYR A 61 4.320 7.565 2.249 1.00 0.00 H new ATOM 1000 N GLU A 62 1.044 13.004 -0.932 1.00 0.00 N ATOM 1001 CA GLU A 62 1.944 13.973 -0.318 1.00 0.00 C ATOM 1002 C GLU A 62 1.321 14.575 0.938 1.00 0.00 C ATOM 1003 O GLU A 62 1.953 14.630 1.993 1.00 0.00 O ATOM 1004 CB GLU A 62 2.289 15.084 -1.312 1.00 0.00 C ATOM 1005 CG GLU A 62 3.111 14.607 -2.497 1.00 0.00 C ATOM 1006 CD GLU A 62 4.561 14.348 -2.135 1.00 0.00 C ATOM 1007 OE1 GLU A 62 5.057 14.982 -1.181 1.00 0.00 O ATOM 1008 OE2 GLU A 62 5.199 13.511 -2.807 1.00 0.00 O ATOM 0 H GLU A 62 1.004 13.051 -1.950 1.00 0.00 H new ATOM 0 HA GLU A 62 2.859 13.452 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.365 15.532 -1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.839 15.868 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.671 13.693 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.066 15.354 -3.290 1.00 0.00 H new ATOM 1015 N LYS A 63 0.077 15.025 0.817 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.634 15.622 1.941 1.00 0.00 C ATOM 1017 C LYS A 63 -1.120 14.549 2.909 1.00 0.00 C ATOM 1018 O LYS A 63 -1.401 14.832 4.074 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.821 16.447 1.439 1.00 0.00 C ATOM 1020 CG LYS A 63 -1.435 17.524 0.440 1.00 0.00 C ATOM 1021 CD LYS A 63 -2.626 18.390 0.065 1.00 0.00 C ATOM 1022 CE LYS A 63 -2.235 19.477 -0.924 1.00 0.00 C ATOM 1023 NZ LYS A 63 -2.380 19.022 -2.335 1.00 0.00 N ATOM 0 H LYS A 63 -0.460 14.988 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 63 0.058 16.277 2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.548 15.779 0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.314 16.914 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.649 18.149 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.025 17.060 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.408 17.767 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.043 18.846 0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.857 20.357 -0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.203 19.778 -0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.524 19.846 -2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.519 18.517 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.198 18.385 -2.412 1.00 0.00 H new ATOM 1037 N MET A 64 -1.215 13.317 2.421 1.00 0.00 N ATOM 1038 CA MET A 64 -1.665 12.201 3.245 1.00 0.00 C ATOM 1039 C MET A 64 -0.566 11.757 4.205 1.00 0.00 C ATOM 1040 O MET A 64 -0.759 11.741 5.421 1.00 0.00 O ATOM 1041 CB MET A 64 -2.093 11.027 2.363 1.00 0.00 C ATOM 1042 CG MET A 64 -3.156 10.146 2.997 1.00 0.00 C ATOM 1043 SD MET A 64 -3.864 8.964 1.834 1.00 0.00 S ATOM 1044 CE MET A 64 -2.994 7.469 2.299 1.00 0.00 C ATOM 0 H MET A 64 -0.986 13.066 1.459 1.00 0.00 H new ATOM 0 HA MET A 64 -2.521 12.536 3.830 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.470 11.413 1.416 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.218 10.418 2.133 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.721 9.606 3.838 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.951 10.775 3.399 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.745 6.900 1.404 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.078 7.731 2.829 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.629 6.865 2.948 1.00 0.00 H new ATOM 1054 N SER A 65 0.588 11.397 3.651 1.00 0.00 N ATOM 1055 CA SER A 65 1.716 10.948 4.459 1.00 0.00 C ATOM 1056 C SER A 65 1.998 11.931 5.591 1.00 0.00 C ATOM 1057 O SER A 65 2.201 11.531 6.738 1.00 0.00 O ATOM 1058 CB SER A 65 2.962 10.787 3.586 1.00 0.00 C ATOM 1059 OG SER A 65 4.120 10.598 4.381 1.00 0.00 O ATOM 0 H SER A 65 0.766 11.408 2.647 1.00 0.00 H new ATOM 0 HA SER A 65 1.459 9.983 4.895 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.834 9.936 2.917 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.087 11.670 2.959 1.00 0.00 H new ATOM 0 HG SER A 65 4.903 10.496 3.800 1.00 0.00 H new ATOM 1065 N ARG A 66 2.010 13.218 5.261 1.00 0.00 N ATOM 1066 CA ARG A 66 2.268 14.258 6.249 1.00 0.00 C ATOM 1067 C ARG A 66 1.690 13.873 7.608 1.00 0.00 C ATOM 1068 O ARG A 66 2.365 13.975 8.631 1.00 0.00 O ATOM 1069 CB ARG A 66 1.671 15.589 5.787 1.00 0.00 C ATOM 1070 CG ARG A 66 2.550 16.342 4.803 1.00 0.00 C ATOM 1071 CD ARG A 66 2.374 17.847 4.937 1.00 0.00 C ATOM 1072 NE ARG A 66 3.120 18.578 3.916 1.00 0.00 N ATOM 1073 CZ ARG A 66 2.651 18.823 2.697 1.00 0.00 C ATOM 1074 NH1 ARG A 66 1.444 18.397 2.350 1.00 0.00 N ATOM 1075 NH2 ARG A 66 3.389 19.495 1.824 1.00 0.00 N ATOM 0 H ARG A 66 1.844 13.566 4.317 1.00 0.00 H new ATOM 0 HA ARG A 66 3.348 14.368 6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.701 15.402 5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.493 16.219 6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.594 16.080 4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.305 16.035 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.316 18.096 4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.706 18.164 5.926 1.00 0.00 H new ATOM 0 HE ARG A 66 4.052 18.919 4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.874 17.880 3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.086 18.586 1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.318 19.824 2.088 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.028 19.683 0.889 1.00 0.00 H new ATOM 1089 N ALA A 67 0.437 13.431 7.608 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.231 13.029 8.840 1.00 0.00 C ATOM 1091 C ALA A 67 0.555 11.938 9.560 1.00 0.00 C ATOM 1092 O ALA A 67 1.121 12.170 10.629 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.645 12.555 8.542 1.00 0.00 C ATOM 0 H ALA A 67 -0.136 13.342 6.769 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.282 13.897 9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.132 12.258 9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.210 13.364 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.608 11.703 7.863 1.00 0.00 H new ATOM 1099 N LEU A 68 0.585 10.750 8.968 1.00 0.00 N ATOM 1100 CA LEU A 68 1.302 9.622 9.554 1.00 0.00 C ATOM 1101 C LEU A 68 2.566 10.090 10.267 1.00 0.00 C ATOM 1102 O LEU A 68 2.780 9.779 11.439 1.00 0.00 O ATOM 1103 CB LEU A 68 1.662 8.603 8.471 1.00 0.00 C ATOM 1104 CG LEU A 68 0.503 7.772 7.918 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.508 7.472 9.014 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.165 8.494 6.757 1.00 0.00 C ATOM 0 H LEU A 68 0.122 10.542 8.083 1.00 0.00 H new ATOM 0 HA LEU A 68 0.648 9.150 10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.130 9.134 7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.410 7.922 8.876 1.00 0.00 H new ATOM 0 HG LEU A 68 0.902 6.827 7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.326 6.880 8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.022 6.913 9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.902 8.407 9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.987 7.888 6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.550 9.454 7.099 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.563 8.657 5.963 1.00 0.00 H new ATOM 1118 N ARG A 69 3.398 10.842 9.554 1.00 0.00 N ATOM 1119 CA ARG A 69 4.640 11.355 10.120 1.00 0.00 C ATOM 1120 C ARG A 69 4.389 12.018 11.471 1.00 0.00 C ATOM 1121 O ARG A 69 4.820 11.517 12.510 1.00 0.00 O ATOM 1122 CB ARG A 69 5.286 12.356 9.161 1.00 0.00 C ATOM 1123 CG ARG A 69 6.247 11.718 8.171 1.00 0.00 C ATOM 1124 CD ARG A 69 7.660 11.654 8.729 1.00 0.00 C ATOM 1125 NE ARG A 69 8.566 10.927 7.843 1.00 0.00 N ATOM 1126 CZ ARG A 69 9.885 11.092 7.845 1.00 0.00 C ATOM 1127 NH1 ARG A 69 10.447 11.953 8.681 1.00 0.00 N ATOM 1128 NH2 ARG A 69 10.642 10.394 7.008 1.00 0.00 N ATOM 0 H ARG A 69 3.235 11.110 8.583 1.00 0.00 H new ATOM 0 HA ARG A 69 5.317 10.514 10.268 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.502 12.876 8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.821 13.108 9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.905 10.712 7.927 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.247 12.289 7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.036 12.666 8.881 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.643 11.170 9.706 1.00 0.00 H new ATOM 0 HE ARG A 69 8.165 10.257 7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.867 12.491 9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.459 12.078 8.680 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.212 9.731 6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.654 10.520 7.009 1.00 0.00 H new ATOM 1142 N HIS A 70 3.689 13.148 11.449 1.00 0.00 N ATOM 1143 CA HIS A 70 3.380 13.880 12.673 1.00 0.00 C ATOM 1144 C HIS A 70 3.032 12.920 13.806 1.00 0.00 C ATOM 1145 O HIS A 70 3.402 13.145 14.959 1.00 0.00 O ATOM 1146 CB HIS A 70 2.222 14.848 12.434 1.00 0.00 C ATOM 1147 CG HIS A 70 2.660 16.207 11.982 1.00 0.00 C ATOM 1148 ND1 HIS A 70 3.015 17.213 12.856 1.00 0.00 N ATOM 1149 CD2 HIS A 70 2.802 16.723 10.739 1.00 0.00 C ATOM 1150 CE1 HIS A 70 3.354 18.290 12.170 1.00 0.00 C ATOM 1151 NE2 HIS A 70 3.234 18.019 10.883 1.00 0.00 N ATOM 0 H HIS A 70 3.325 13.577 10.598 1.00 0.00 H new ATOM 0 HA HIS A 70 4.264 14.448 12.961 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.553 14.423 11.685 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.647 14.948 13.355 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.611 16.211 9.807 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.675 19.232 12.590 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.430 18.667 10.120 1.00 0.00 H new ATOM 1160 N TYR A 71 2.318 11.851 13.472 1.00 0.00 N ATOM 1161 CA TYR A 71 1.916 10.859 14.462 1.00 0.00 C ATOM 1162 C TYR A 71 3.110 10.019 14.906 1.00 0.00 C ATOM 1163 O TYR A 71 3.221 9.646 16.074 1.00 0.00 O ATOM 1164 CB TYR A 71 0.824 9.953 13.893 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.450 10.688 13.540 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.000 11.621 14.409 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -1.103 10.448 12.337 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.164 12.294 14.091 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.266 11.117 12.010 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.793 12.040 12.891 1.00 0.00 C ATOM 1171 OH TYR A 71 -3.952 12.708 12.569 1.00 0.00 O ATOM 0 H TYR A 71 2.005 11.649 12.522 1.00 0.00 H new ATOM 0 HA TYR A 71 1.523 11.388 15.330 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.205 9.455 13.002 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.595 9.174 14.620 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.510 11.824 15.350 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.694 9.726 11.646 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.579 13.015 14.779 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.760 10.919 11.070 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.735 13.499 12.032 1.00 0.00 H new ATOM 1181 N TYR A 72 4.001 9.725 13.965 1.00 0.00 N ATOM 1182 CA TYR A 72 5.186 8.928 14.258 1.00 0.00 C ATOM 1183 C TYR A 72 5.827 9.366 15.571 1.00 0.00 C ATOM 1184 O TYR A 72 6.207 8.537 16.398 1.00 0.00 O ATOM 1185 CB TYR A 72 6.199 9.046 13.118 1.00 0.00 C ATOM 1186 CG TYR A 72 5.707 8.471 11.808 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.457 7.870 11.717 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.491 8.529 10.663 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.004 7.344 10.523 1.00 0.00 C ATOM 1190 CE2 TYR A 72 6.045 8.006 9.465 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.801 7.414 9.400 1.00 0.00 C ATOM 1192 OH TYR A 72 4.354 6.891 8.209 1.00 0.00 O ATOM 0 H TYR A 72 3.925 10.027 12.994 1.00 0.00 H new ATOM 0 HA TYR A 72 4.878 7.887 14.356 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.449 10.097 12.973 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.119 8.537 13.406 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.830 7.813 12.594 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.466 8.991 10.710 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.030 6.880 10.469 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.667 8.060 8.584 1.00 0.00 H new ATOM 0 HH TYR A 72 4.346 5.913 8.264 1.00 0.00 H new ATOM 1202 N LYS A 73 5.945 10.677 15.756 1.00 0.00 N ATOM 1203 CA LYS A 73 6.538 11.229 16.968 1.00 0.00 C ATOM 1204 C LYS A 73 5.730 10.832 18.199 1.00 0.00 C ATOM 1205 O LYS A 73 6.283 10.643 19.283 1.00 0.00 O ATOM 1206 CB LYS A 73 6.623 12.754 16.870 1.00 0.00 C ATOM 1207 CG LYS A 73 7.926 13.253 16.269 1.00 0.00 C ATOM 1208 CD LYS A 73 7.890 13.215 14.751 1.00 0.00 C ATOM 1209 CE LYS A 73 8.403 11.887 14.215 1.00 0.00 C ATOM 1210 NZ LYS A 73 8.754 11.970 12.770 1.00 0.00 N ATOM 0 H LYS A 73 5.637 11.377 15.081 1.00 0.00 H new ATOM 0 HA LYS A 73 7.544 10.821 17.069 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.791 13.118 16.267 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.505 13.181 17.866 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.115 14.273 16.604 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.752 12.640 16.630 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.869 13.378 14.406 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.495 14.028 14.351 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.280 11.580 14.785 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.643 11.119 14.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.099 11.045 12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.911 12.238 12.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.497 12.685 12.634 1.00 0.00 H new ATOM 1224 N LEU A 74 4.419 10.706 18.024 1.00 0.00 N ATOM 1225 CA LEU A 74 3.533 10.330 19.121 1.00 0.00 C ATOM 1226 C LEU A 74 3.638 8.837 19.417 1.00 0.00 C ATOM 1227 O LEU A 74 2.882 8.301 20.227 1.00 0.00 O ATOM 1228 CB LEU A 74 2.087 10.694 18.783 1.00 0.00 C ATOM 1229 CG LEU A 74 1.694 12.156 19.003 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.595 12.565 18.035 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.250 12.378 20.442 1.00 0.00 C ATOM 0 H LEU A 74 3.946 10.859 17.133 1.00 0.00 H new ATOM 0 HA LEU A 74 3.841 10.881 20.010 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.905 10.443 17.738 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.426 10.067 19.381 1.00 0.00 H new ATOM 0 HG LEU A 74 2.567 12.780 18.813 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.329 13.608 18.207 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.949 12.444 17.011 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.281 11.936 18.193 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.974 13.423 20.580 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.390 11.744 20.659 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.067 12.126 21.118 1.00 0.00 H new ATOM 1243 N ASN A 75 4.581 8.173 18.757 1.00 0.00 N ATOM 1244 CA ASN A 75 4.785 6.742 18.951 1.00 0.00 C ATOM 1245 C ASN A 75 3.529 5.958 18.584 1.00 0.00 C ATOM 1246 O ASN A 75 3.139 5.026 19.288 1.00 0.00 O ATOM 1247 CB ASN A 75 5.174 6.453 20.403 1.00 0.00 C ATOM 1248 CG ASN A 75 6.359 7.282 20.860 1.00 0.00 C ATOM 1249 OD1 ASN A 75 6.213 8.206 21.660 1.00 0.00 O ATOM 1250 ND2 ASN A 75 7.541 6.954 20.351 1.00 0.00 N ATOM 0 H ASN A 75 5.216 8.602 18.084 1.00 0.00 H new ATOM 0 HA ASN A 75 5.595 6.424 18.294 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.321 6.654 21.052 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.412 5.395 20.509 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.375 7.476 20.620 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.615 6.180 19.691 1.00 0.00 H new ATOM 1257 N ILE A 76 2.901 6.342 17.478 1.00 0.00 N ATOM 1258 CA ILE A 76 1.690 5.674 17.017 1.00 0.00 C ATOM 1259 C ILE A 76 1.983 4.763 15.829 1.00 0.00 C ATOM 1260 O ILE A 76 1.457 3.654 15.741 1.00 0.00 O ATOM 1261 CB ILE A 76 0.605 6.690 16.615 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.365 7.689 17.749 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.685 5.971 16.252 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.535 8.841 17.360 1.00 0.00 C ATOM 0 H ILE A 76 3.210 7.112 16.885 1.00 0.00 H new ATOM 0 HA ILE A 76 1.324 5.074 17.850 1.00 0.00 H new ATOM 0 HB ILE A 76 0.950 7.240 15.739 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.076 7.165 18.597 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.324 8.085 18.083 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.442 6.702 15.970 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.503 5.297 15.415 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.036 5.398 17.110 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.661 9.509 18.212 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.086 9.390 16.532 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.508 8.456 17.055 1.00 0.00 H new ATOM 1276 N ILE A 77 2.827 5.239 14.920 1.00 0.00 N ATOM 1277 CA ILE A 77 3.192 4.467 13.739 1.00 0.00 C ATOM 1278 C ILE A 77 4.681 4.597 13.436 1.00 0.00 C ATOM 1279 O ILE A 77 5.301 5.614 13.746 1.00 0.00 O ATOM 1280 CB ILE A 77 2.388 4.912 12.504 1.00 0.00 C ATOM 1281 CG1 ILE A 77 0.897 4.635 12.711 1.00 0.00 C ATOM 1282 CG2 ILE A 77 2.895 4.203 11.257 1.00 0.00 C ATOM 1283 CD1 ILE A 77 -0.005 5.556 11.920 1.00 0.00 C ATOM 0 H ILE A 77 3.271 6.156 14.979 1.00 0.00 H new ATOM 0 HA ILE A 77 2.957 3.425 13.959 1.00 0.00 H new ATOM 0 HB ILE A 77 2.524 5.985 12.369 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.685 3.603 12.430 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.662 4.732 13.771 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.316 4.529 10.393 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.946 4.446 11.102 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.786 3.126 11.381 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.047 5.302 12.116 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.178 6.588 12.217 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.202 5.443 10.856 1.00 0.00 H new ATOM 1295 N ARG A 78 5.248 3.560 12.827 1.00 0.00 N ATOM 1296 CA ARG A 78 6.664 3.558 12.482 1.00 0.00 C ATOM 1297 C ARG A 78 6.861 3.263 10.998 1.00 0.00 C ATOM 1298 O ARG A 78 6.515 2.184 10.517 1.00 0.00 O ATOM 1299 CB ARG A 78 7.415 2.524 13.322 1.00 0.00 C ATOM 1300 CG ARG A 78 8.918 2.750 13.367 1.00 0.00 C ATOM 1301 CD ARG A 78 9.296 3.770 14.429 1.00 0.00 C ATOM 1302 NE ARG A 78 9.279 5.134 13.909 1.00 0.00 N ATOM 1303 CZ ARG A 78 10.252 5.650 13.166 1.00 0.00 C ATOM 1304 NH1 ARG A 78 11.314 4.918 12.858 1.00 0.00 N ATOM 1305 NH2 ARG A 78 10.165 6.900 12.730 1.00 0.00 N ATOM 0 H ARG A 78 4.748 2.711 12.563 1.00 0.00 H new ATOM 0 HA ARG A 78 7.065 4.549 12.695 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.023 2.541 14.339 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.218 1.530 12.921 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.423 1.806 13.571 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.265 3.092 12.392 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.604 3.693 15.268 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.290 3.541 14.814 1.00 0.00 H new ATOM 0 HE ARG A 78 8.476 5.723 14.128 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.385 3.957 13.192 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.060 5.316 12.287 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.350 7.467 12.965 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.913 7.294 12.160 1.00 0.00 H new ATOM 1319 N LYS A 79 7.419 4.230 10.276 1.00 0.00 N ATOM 1320 CA LYS A 79 7.663 4.075 8.847 1.00 0.00 C ATOM 1321 C LYS A 79 9.044 3.480 8.593 1.00 0.00 C ATOM 1322 O LYS A 79 10.046 4.195 8.586 1.00 0.00 O ATOM 1323 CB LYS A 79 7.540 5.426 8.139 1.00 0.00 C ATOM 1324 CG LYS A 79 7.621 5.328 6.625 1.00 0.00 C ATOM 1325 CD LYS A 79 7.615 6.702 5.977 1.00 0.00 C ATOM 1326 CE LYS A 79 7.936 6.619 4.492 1.00 0.00 C ATOM 1327 NZ LYS A 79 9.403 6.567 4.244 1.00 0.00 N ATOM 0 H LYS A 79 7.711 5.130 10.658 1.00 0.00 H new ATOM 0 HA LYS A 79 6.913 3.392 8.447 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.591 5.886 8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.330 6.087 8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.529 4.795 6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.779 4.745 6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.638 7.166 6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.344 7.343 6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.464 5.733 4.067 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.511 7.482 3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.580 6.511 3.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.850 7.424 4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.805 5.729 4.711 1.00 0.00 H new ATOM 1341 N GLU A 80 9.089 2.168 8.382 1.00 0.00 N ATOM 1342 CA GLU A 80 10.348 1.478 8.126 1.00 0.00 C ATOM 1343 C GLU A 80 11.158 2.205 7.057 1.00 0.00 C ATOM 1344 O GLU A 80 10.625 2.680 6.054 1.00 0.00 O ATOM 1345 CB GLU A 80 10.085 0.035 7.691 1.00 0.00 C ATOM 1346 CG GLU A 80 9.375 -0.799 8.744 1.00 0.00 C ATOM 1347 CD GLU A 80 9.372 -2.278 8.412 1.00 0.00 C ATOM 1348 OE1 GLU A 80 10.254 -2.716 7.644 1.00 0.00 O ATOM 1349 OE2 GLU A 80 8.488 -2.998 8.921 1.00 0.00 O ATOM 0 H GLU A 80 8.269 1.562 8.383 1.00 0.00 H new ATOM 0 HA GLU A 80 10.924 1.471 9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.485 0.043 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.034 -0.440 7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.859 -0.648 9.709 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.347 -0.451 8.845 1.00 0.00 H new ATOM 1356 N PRO A 81 12.479 2.293 7.274 1.00 0.00 N ATOM 1357 CA PRO A 81 13.392 2.960 6.341 1.00 0.00 C ATOM 1358 C PRO A 81 13.559 2.183 5.039 1.00 0.00 C ATOM 1359 O PRO A 81 13.803 2.766 3.984 1.00 0.00 O ATOM 1360 CB PRO A 81 14.714 3.006 7.110 1.00 0.00 C ATOM 1361 CG PRO A 81 14.633 1.871 8.071 1.00 0.00 C ATOM 1362 CD PRO A 81 13.183 1.750 8.448 1.00 0.00 C ATOM 0 HA PRO A 81 13.024 3.941 6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.566 2.897 6.439 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.837 3.956 7.629 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.996 0.949 7.617 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.250 2.059 8.950 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.903 0.714 8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.954 2.316 9.351 1.00 0.00 H new ATOM 1370 N GLY A 82 13.427 0.862 5.122 1.00 0.00 N ATOM 1371 CA GLY A 82 13.566 0.027 3.944 1.00 0.00 C ATOM 1372 C GLY A 82 12.274 -0.092 3.161 1.00 0.00 C ATOM 1373 O GLY A 82 12.030 0.679 2.233 1.00 0.00 O ATOM 0 H GLY A 82 13.226 0.356 5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.341 0.441 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.898 -0.967 4.244 1.00 0.00 H new ATOM 1377 N GLN A 83 11.445 -1.061 3.535 1.00 0.00 N ATOM 1378 CA GLN A 83 10.171 -1.279 2.859 1.00 0.00 C ATOM 1379 C GLN A 83 9.553 0.045 2.422 1.00 0.00 C ATOM 1380 O GLN A 83 9.588 1.030 3.159 1.00 0.00 O ATOM 1381 CB GLN A 83 9.204 -2.029 3.777 1.00 0.00 C ATOM 1382 CG GLN A 83 9.694 -3.412 4.177 1.00 0.00 C ATOM 1383 CD GLN A 83 9.623 -4.408 3.037 1.00 0.00 C ATOM 1384 OE1 GLN A 83 10.639 -4.751 2.433 1.00 0.00 O ATOM 1385 NE2 GLN A 83 8.418 -4.880 2.737 1.00 0.00 N ATOM 0 H GLN A 83 11.632 -1.707 4.302 1.00 0.00 H new ATOM 0 HA GLN A 83 10.358 -1.882 1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.038 -1.437 4.677 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.241 -2.125 3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 83 10.723 -3.341 4.529 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.096 -3.778 5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.602 -4.568 3.264 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.308 -5.554 1.980 1.00 0.00 H new ATOM 1394 N ARG A 84 8.987 0.060 1.220 1.00 0.00 N ATOM 1395 CA ARG A 84 8.362 1.263 0.684 1.00 0.00 C ATOM 1396 C ARG A 84 6.993 1.493 1.318 1.00 0.00 C ATOM 1397 O ARG A 84 6.279 0.542 1.642 1.00 0.00 O ATOM 1398 CB ARG A 84 8.221 1.157 -0.835 1.00 0.00 C ATOM 1399 CG ARG A 84 9.552 1.086 -1.567 1.00 0.00 C ATOM 1400 CD ARG A 84 9.356 0.886 -3.061 1.00 0.00 C ATOM 1401 NE ARG A 84 8.670 2.018 -3.679 1.00 0.00 N ATOM 1402 CZ ARG A 84 8.629 2.225 -4.991 1.00 0.00 C ATOM 1403 NH1 ARG A 84 9.230 1.381 -5.818 1.00 0.00 N ATOM 1404 NH2 ARG A 84 7.985 3.278 -5.477 1.00 0.00 N ATOM 0 H ARG A 84 8.948 -0.748 0.598 1.00 0.00 H new ATOM 0 HA ARG A 84 9.002 2.112 0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.636 0.270 -1.076 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.661 2.018 -1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.114 2.004 -1.392 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.147 0.266 -1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.326 0.745 -3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.781 -0.024 -3.233 1.00 0.00 H new ATOM 0 HE ARG A 84 8.197 2.686 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.726 0.570 -5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.197 1.543 -6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.521 3.929 -4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.954 3.437 -6.484 1.00 0.00 H new ATOM 1418 N LEU A 85 6.633 2.759 1.492 1.00 0.00 N ATOM 1419 CA LEU A 85 5.349 3.115 2.087 1.00 0.00 C ATOM 1420 C LEU A 85 4.947 2.105 3.157 1.00 0.00 C ATOM 1421 O LEU A 85 3.778 1.729 3.264 1.00 0.00 O ATOM 1422 CB LEU A 85 4.267 3.190 1.008 1.00 0.00 C ATOM 1423 CG LEU A 85 4.422 4.310 -0.021 1.00 0.00 C ATOM 1424 CD1 LEU A 85 5.368 3.885 -1.134 1.00 0.00 C ATOM 1425 CD2 LEU A 85 3.067 4.702 -0.590 1.00 0.00 C ATOM 0 H LEU A 85 7.212 3.557 1.230 1.00 0.00 H new ATOM 0 HA LEU A 85 5.453 4.093 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.244 2.238 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.300 3.306 1.498 1.00 0.00 H new ATOM 0 HG LEU A 85 4.849 5.180 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.466 4.695 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.346 3.655 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.970 3.000 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.196 5.500 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.612 3.838 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.421 5.049 0.216 1.00 0.00 H new ATOM 1437 N LEU A 86 5.921 1.670 3.949 1.00 0.00 N ATOM 1438 CA LEU A 86 5.668 0.705 5.014 1.00 0.00 C ATOM 1439 C LEU A 86 5.331 1.413 6.322 1.00 0.00 C ATOM 1440 O LEU A 86 5.997 2.373 6.710 1.00 0.00 O ATOM 1441 CB LEU A 86 6.887 -0.199 5.209 1.00 0.00 C ATOM 1442 CG LEU A 86 6.598 -1.618 5.700 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.746 -1.584 6.959 1.00 0.00 C ATOM 1444 CD2 LEU A 86 5.912 -2.430 4.611 1.00 0.00 C ATOM 0 H LEU A 86 6.893 1.970 3.874 1.00 0.00 H new ATOM 0 HA LEU A 86 4.813 0.095 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.420 -0.266 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.560 0.280 5.920 1.00 0.00 H new ATOM 0 HG LEU A 86 7.546 -2.099 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.551 -2.603 7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.275 -1.040 7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.801 -1.085 6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.714 -3.437 4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.971 -1.952 4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.559 -2.484 3.735 1.00 0.00 H new ATOM 1456 N PHE A 87 4.294 0.932 6.999 1.00 0.00 N ATOM 1457 CA PHE A 87 3.869 1.518 8.265 1.00 0.00 C ATOM 1458 C PHE A 87 3.677 0.438 9.327 1.00 0.00 C ATOM 1459 O PHE A 87 3.150 -0.638 9.045 1.00 0.00 O ATOM 1460 CB PHE A 87 2.568 2.301 8.077 1.00 0.00 C ATOM 1461 CG PHE A 87 2.639 3.329 6.985 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.749 4.150 6.859 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.598 3.474 6.083 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.816 5.097 5.855 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.660 4.420 5.077 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.772 5.231 4.962 1.00 0.00 C ATOM 0 H PHE A 87 3.732 0.138 6.692 1.00 0.00 H new ATOM 0 HA PHE A 87 4.650 2.200 8.602 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.762 1.602 7.855 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.312 2.795 9.014 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.570 4.048 7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.727 2.840 6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.685 5.732 5.769 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.840 4.525 4.382 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.825 5.969 4.175 1.00 0.00 H new ATOM 1476 N ARG A 88 4.110 0.735 10.548 1.00 0.00 N ATOM 1477 CA ARG A 88 3.988 -0.210 11.652 1.00 0.00 C ATOM 1478 C ARG A 88 3.285 0.434 12.843 1.00 0.00 C ATOM 1479 O ARG A 88 3.763 1.423 13.400 1.00 0.00 O ATOM 1480 CB ARG A 88 5.369 -0.715 12.073 1.00 0.00 C ATOM 1481 CG ARG A 88 5.367 -1.461 13.397 1.00 0.00 C ATOM 1482 CD ARG A 88 6.778 -1.655 13.930 1.00 0.00 C ATOM 1483 NE ARG A 88 6.832 -2.671 14.978 1.00 0.00 N ATOM 1484 CZ ARG A 88 7.951 -3.284 15.349 1.00 0.00 C ATOM 1485 NH1 ARG A 88 9.101 -2.987 14.760 1.00 0.00 N ATOM 1486 NH2 ARG A 88 7.920 -4.198 16.311 1.00 0.00 N ATOM 0 H ARG A 88 4.548 1.622 10.798 1.00 0.00 H new ATOM 0 HA ARG A 88 3.388 -1.054 11.311 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.759 -1.372 11.296 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.050 0.133 12.144 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.774 -0.908 14.126 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.889 -2.432 13.268 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.438 -1.943 13.112 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.151 -0.709 14.323 1.00 0.00 H new ATOM 0 HE ARG A 88 5.964 -2.924 15.450 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.129 -2.286 14.020 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.958 -3.459 15.047 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.037 -4.430 16.766 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.779 -4.668 16.595 1.00 0.00 H new ATOM 1500 N PHE A 89 2.147 -0.133 13.229 1.00 0.00 N ATOM 1501 CA PHE A 89 1.376 0.386 14.353 1.00 0.00 C ATOM 1502 C PHE A 89 1.982 -0.062 15.680 1.00 0.00 C ATOM 1503 O PHE A 89 1.702 -1.158 16.164 1.00 0.00 O ATOM 1504 CB PHE A 89 -0.078 -0.080 14.260 1.00 0.00 C ATOM 1505 CG PHE A 89 -0.950 0.834 13.448 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -1.086 2.170 13.792 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.634 0.358 12.341 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.887 3.014 13.046 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.436 1.198 11.591 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.564 2.527 11.945 1.00 0.00 C ATOM 0 H PHE A 89 1.738 -0.952 12.780 1.00 0.00 H new ATOM 0 HA PHE A 89 1.404 1.475 14.310 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.104 -1.078 13.822 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.490 -0.163 15.266 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.560 2.556 14.653 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.540 -0.681 12.061 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.983 4.053 13.324 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.962 0.815 10.729 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.192 3.184 11.362 1.00 0.00 H new ATOM 1520 N MET A 90 2.814 0.795 16.263 1.00 0.00 N ATOM 1521 CA MET A 90 3.459 0.489 17.534 1.00 0.00 C ATOM 1522 C MET A 90 2.439 0.460 18.668 1.00 0.00 C ATOM 1523 O MET A 90 2.114 -0.603 19.197 1.00 0.00 O ATOM 1524 CB MET A 90 4.549 1.518 17.839 1.00 0.00 C ATOM 1525 CG MET A 90 5.482 1.780 16.668 1.00 0.00 C ATOM 1526 SD MET A 90 6.338 3.361 16.801 1.00 0.00 S ATOM 1527 CE MET A 90 7.911 2.840 17.479 1.00 0.00 C ATOM 0 H MET A 90 3.057 1.707 15.875 1.00 0.00 H new ATOM 0 HA MET A 90 3.914 -0.498 17.453 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.079 2.456 18.136 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.136 1.172 18.690 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.217 0.977 16.608 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.910 1.758 15.741 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.584 3.696 17.536 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.759 2.431 18.478 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.349 2.076 16.837 1.00 0.00 H new ATOM 1537 N LYS A 91 1.938 1.633 19.037 1.00 0.00 N ATOM 1538 CA LYS A 91 0.954 1.743 20.108 1.00 0.00 C ATOM 1539 C LYS A 91 -0.435 1.354 19.612 1.00 0.00 C ATOM 1540 O LYS A 91 -0.716 1.408 18.415 1.00 0.00 O ATOM 1541 CB LYS A 91 0.928 3.170 20.661 1.00 0.00 C ATOM 1542 CG LYS A 91 0.150 3.306 21.958 1.00 0.00 C ATOM 1543 CD LYS A 91 0.823 2.553 23.093 1.00 0.00 C ATOM 1544 CE LYS A 91 0.259 2.962 24.445 1.00 0.00 C ATOM 1545 NZ LYS A 91 1.213 2.679 25.553 1.00 0.00 N ATOM 0 H LYS A 91 2.197 2.522 18.610 1.00 0.00 H new ATOM 0 HA LYS A 91 1.242 1.057 20.904 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.952 3.506 20.825 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.491 3.832 19.914 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.061 4.360 22.221 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.862 2.926 21.818 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.688 1.481 22.950 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.896 2.744 23.072 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.022 4.026 24.433 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.675 2.429 24.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.791 2.972 26.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.420 1.660 25.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.095 3.207 25.395 1.00 0.00 H new ATOM 1559 N THR A 92 -1.302 0.962 20.542 1.00 0.00 N ATOM 1560 CA THR A 92 -2.661 0.564 20.199 1.00 0.00 C ATOM 1561 C THR A 92 -3.446 1.734 19.617 1.00 0.00 C ATOM 1562 O THR A 92 -3.425 2.848 20.139 1.00 0.00 O ATOM 1563 CB THR A 92 -3.413 0.017 21.428 1.00 0.00 C ATOM 1564 OG1 THR A 92 -2.558 -0.854 22.176 1.00 0.00 O ATOM 1565 CG2 THR A 92 -4.667 -0.733 21.005 1.00 0.00 C ATOM 0 H THR A 92 -1.086 0.912 21.538 1.00 0.00 H new ATOM 0 HA THR A 92 -2.580 -0.224 19.451 1.00 0.00 H new ATOM 0 HB THR A 92 -3.708 0.860 22.053 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.909 -0.955 23.085 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.181 -1.110 21.889 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.328 -0.059 20.461 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.392 -1.569 20.362 1.00 0.00 H new ATOM 1573 N PRO A 93 -4.157 1.477 18.508 1.00 0.00 N ATOM 1574 CA PRO A 93 -4.964 2.497 17.831 1.00 0.00 C ATOM 1575 C PRO A 93 -6.191 2.898 18.643 1.00 0.00 C ATOM 1576 O PRO A 93 -6.557 4.073 18.692 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.385 1.809 16.530 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.345 0.353 16.841 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.228 0.171 17.831 1.00 0.00 C ATOM 0 HA PRO A 93 -4.409 3.423 17.680 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.383 2.121 16.222 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.707 2.058 15.713 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.294 0.017 17.258 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.167 -0.234 15.940 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.441 -0.635 18.533 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.289 -0.077 17.336 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.821 1.917 19.279 1.00 0.00 N ATOM 1588 CA ASP A 94 -8.006 2.168 20.090 1.00 0.00 C ATOM 1589 C ASP A 94 -7.674 3.076 21.270 1.00 0.00 C ATOM 1590 O ASP A 94 -8.537 3.793 21.775 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.595 0.850 20.594 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.530 0.210 19.587 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -10.631 0.757 19.370 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -9.161 -0.838 19.016 1.00 0.00 O ATOM 0 H ASP A 94 -6.531 0.940 19.249 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.744 2.670 19.465 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.785 0.158 20.824 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.135 1.029 21.524 1.00 0.00 H new ATOM 1599 N GLU A 95 -6.418 3.037 21.705 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.974 3.855 22.828 1.00 0.00 C ATOM 1601 C GLU A 95 -6.050 5.340 22.483 1.00 0.00 C ATOM 1602 O GLU A 95 -6.469 6.157 23.303 1.00 0.00 O ATOM 1603 CB GLU A 95 -4.542 3.485 23.222 1.00 0.00 C ATOM 1604 CG GLU A 95 -4.464 2.395 24.277 1.00 0.00 C ATOM 1605 CD GLU A 95 -5.362 1.213 23.963 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -6.594 1.405 23.899 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -4.831 0.098 23.782 1.00 0.00 O ATOM 0 H GLU A 95 -5.691 2.449 21.298 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.637 3.661 23.671 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.002 3.158 22.333 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.035 4.375 23.593 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.433 2.051 24.363 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.743 2.811 25.245 1.00 0.00 H new ATOM 1614 N ILE A 96 -5.643 5.680 21.265 1.00 0.00 N ATOM 1615 CA ILE A 96 -5.665 7.065 20.812 1.00 0.00 C ATOM 1616 C ILE A 96 -7.077 7.639 20.868 1.00 0.00 C ATOM 1617 O ILE A 96 -7.263 8.837 21.081 1.00 0.00 O ATOM 1618 CB ILE A 96 -5.128 7.196 19.374 1.00 0.00 C ATOM 1619 CG1 ILE A 96 -3.600 7.113 19.369 1.00 0.00 C ATOM 1620 CG2 ILE A 96 -5.596 8.502 18.751 1.00 0.00 C ATOM 1621 CD1 ILE A 96 -3.071 5.708 19.189 1.00 0.00 C ATOM 0 H ILE A 96 -5.294 5.016 20.574 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.019 7.627 21.486 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.520 6.372 18.778 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.213 7.743 18.569 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.219 7.518 20.306 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.208 8.580 17.735 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -6.686 8.524 18.726 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.230 9.340 19.344 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.981 5.726 19.195 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.428 5.078 20.003 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.422 5.306 18.238 1.00 0.00 H new ATOM 1633 N MET A 97 -8.069 6.775 20.679 1.00 0.00 N ATOM 1634 CA MET A 97 -9.465 7.196 20.711 1.00 0.00 C ATOM 1635 C MET A 97 -9.902 7.518 22.137 1.00 0.00 C ATOM 1636 O MET A 97 -9.092 7.505 23.063 1.00 0.00 O ATOM 1637 CB MET A 97 -10.363 6.105 20.124 1.00 0.00 C ATOM 1638 CG MET A 97 -9.968 5.685 18.718 1.00 0.00 C ATOM 1639 SD MET A 97 -9.875 7.078 17.577 1.00 0.00 S ATOM 1640 CE MET A 97 -8.518 6.565 16.526 1.00 0.00 C ATOM 0 H MET A 97 -7.932 5.780 20.502 1.00 0.00 H new ATOM 0 HA MET A 97 -9.561 8.098 20.107 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.335 5.232 20.777 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.393 6.461 20.112 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.001 5.183 18.751 1.00 0.00 H new ATOM 0 HG3 MET A 97 -10.691 4.961 18.343 1.00 0.00 H new ATOM 0 HE1 MET A 97 -8.140 7.425 15.974 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.720 6.148 17.140 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.868 5.808 15.824 1.00 0.00 H new ATOM 1650 N SER A 98 -11.189 7.807 22.305 1.00 0.00 N ATOM 1651 CA SER A 98 -11.733 8.137 23.618 1.00 0.00 C ATOM 1652 C SER A 98 -10.788 9.060 24.381 1.00 0.00 C ATOM 1653 O SER A 98 -10.524 8.856 25.565 1.00 0.00 O ATOM 1654 CB SER A 98 -11.981 6.862 24.425 1.00 0.00 C ATOM 1655 OG SER A 98 -12.533 7.162 25.695 1.00 0.00 O ATOM 0 H SER A 98 -11.874 7.819 21.549 1.00 0.00 H new ATOM 0 HA SER A 98 -12.680 8.656 23.472 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.657 6.206 23.877 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.044 6.320 24.551 1.00 0.00 H new ATOM 0 HG SER A 98 -11.977 7.834 26.143 1.00 0.00 H new ATOM 1661 N GLY A 99 -10.280 10.078 23.692 1.00 0.00 N ATOM 1662 CA GLY A 99 -9.370 11.018 24.320 1.00 0.00 C ATOM 1663 C GLY A 99 -10.097 12.111 25.078 1.00 0.00 C ATOM 1664 O GLY A 99 -11.221 11.913 25.540 1.00 0.00 O ATOM 0 H GLY A 99 -10.483 10.268 22.711 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.713 10.481 25.004 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.736 11.469 23.557 1.00 0.00 H new ATOM 1668 N ARG A 100 -9.455 13.267 25.209 1.00 0.00 N ATOM 1669 CA ARG A 100 -10.046 14.394 25.920 1.00 0.00 C ATOM 1670 C ARG A 100 -10.179 15.606 25.002 1.00 0.00 C ATOM 1671 O ARG A 100 -9.760 15.572 23.845 1.00 0.00 O ATOM 1672 CB ARG A 100 -9.200 14.756 27.141 1.00 0.00 C ATOM 1673 CG ARG A 100 -9.650 14.068 28.420 1.00 0.00 C ATOM 1674 CD ARG A 100 -8.477 13.793 29.348 1.00 0.00 C ATOM 1675 NE ARG A 100 -8.262 14.883 30.296 1.00 0.00 N ATOM 1676 CZ ARG A 100 -7.516 15.950 30.033 1.00 0.00 C ATOM 1677 NH1 ARG A 100 -6.917 16.070 28.856 1.00 0.00 N ATOM 1678 NH2 ARG A 100 -7.369 16.900 30.947 1.00 0.00 N ATOM 0 H ARG A 100 -8.525 13.448 24.832 1.00 0.00 H new ATOM 0 HA ARG A 100 -11.042 14.100 26.252 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.161 14.493 26.943 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -9.233 15.836 27.288 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -10.382 14.693 28.932 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -10.148 13.130 28.174 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.657 12.867 29.895 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.574 13.644 28.756 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.709 14.821 31.211 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.029 15.342 28.150 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.345 16.890 28.656 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.829 16.812 31.853 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.796 17.719 30.744 1.00 0.00 H new ATOM 1692 N THR A 101 -10.764 16.678 25.527 1.00 0.00 N ATOM 1693 CA THR A 101 -10.953 17.900 24.756 1.00 0.00 C ATOM 1694 C THR A 101 -9.730 18.204 23.898 1.00 0.00 C ATOM 1695 O THR A 101 -9.856 18.583 22.734 1.00 0.00 O ATOM 1696 CB THR A 101 -11.235 19.105 25.673 1.00 0.00 C ATOM 1697 OG1 THR A 101 -11.482 20.275 24.884 1.00 0.00 O ATOM 1698 CG2 THR A 101 -10.064 19.357 26.611 1.00 0.00 C ATOM 0 H THR A 101 -11.115 16.724 26.484 1.00 0.00 H new ATOM 0 HA THR A 101 -11.815 17.735 24.109 1.00 0.00 H new ATOM 0 HB THR A 101 -12.117 18.879 26.272 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.662 21.036 25.475 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.286 20.213 27.249 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.898 18.476 27.231 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.167 19.563 26.026 1.00 0.00 H new ATOM 1706 N ASP A 102 -8.549 18.035 24.480 1.00 0.00 N ATOM 1707 CA ASP A 102 -7.302 18.289 23.768 1.00 0.00 C ATOM 1708 C ASP A 102 -6.574 16.984 23.463 1.00 0.00 C ATOM 1709 O ASP A 102 -6.228 16.228 24.371 1.00 0.00 O ATOM 1710 CB ASP A 102 -6.399 19.211 24.590 1.00 0.00 C ATOM 1711 CG ASP A 102 -5.051 19.436 23.934 1.00 0.00 C ATOM 1712 OD1 ASP A 102 -5.007 20.117 22.888 1.00 0.00 O ATOM 1713 OD2 ASP A 102 -4.040 18.931 24.465 1.00 0.00 O ATOM 0 H ASP A 102 -8.428 17.723 25.444 1.00 0.00 H new ATOM 0 HA ASP A 102 -7.545 18.777 22.824 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.896 20.171 24.731 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.251 18.781 25.580 1.00 0.00 H new ATOM 1718 N ARG A 103 -6.346 16.725 22.180 1.00 0.00 N ATOM 1719 CA ARG A 103 -5.661 15.510 21.755 1.00 0.00 C ATOM 1720 C ARG A 103 -5.140 15.651 20.328 1.00 0.00 C ATOM 1721 O ARG A 103 -5.658 16.445 19.541 1.00 0.00 O ATOM 1722 CB ARG A 103 -6.604 14.309 21.849 1.00 0.00 C ATOM 1723 CG ARG A 103 -5.903 12.971 21.683 1.00 0.00 C ATOM 1724 CD ARG A 103 -5.171 12.564 22.952 1.00 0.00 C ATOM 1725 NE ARG A 103 -3.804 13.076 22.984 1.00 0.00 N ATOM 1726 CZ ARG A 103 -2.840 12.553 23.733 1.00 0.00 C ATOM 1727 NH1 ARG A 103 -3.092 11.508 24.509 1.00 0.00 N ATOM 1728 NH2 ARG A 103 -1.620 13.076 23.708 1.00 0.00 N ATOM 0 H ARG A 103 -6.626 17.340 21.416 1.00 0.00 H new ATOM 0 HA ARG A 103 -4.812 15.350 22.419 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -7.108 14.328 22.815 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -7.376 14.403 21.085 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.634 12.206 21.422 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.195 13.030 20.856 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.717 12.934 23.820 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.153 11.477 23.027 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.577 13.880 22.399 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.028 11.104 24.532 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.350 11.108 25.083 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.422 13.881 23.113 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.881 12.673 24.284 1.00 0.00 H new ATOM 1742 N LEU A 104 -4.112 14.875 20.000 1.00 0.00 N ATOM 1743 CA LEU A 104 -3.520 14.913 18.667 1.00 0.00 C ATOM 1744 C LEU A 104 -4.600 14.986 17.593 1.00 0.00 C ATOM 1745 O LEU A 104 -4.353 15.454 16.482 1.00 0.00 O ATOM 1746 CB LEU A 104 -2.643 13.679 18.442 1.00 0.00 C ATOM 1747 CG LEU A 104 -3.385 12.360 18.223 1.00 0.00 C ATOM 1748 CD1 LEU A 104 -3.668 12.147 16.744 1.00 0.00 C ATOM 1749 CD2 LEU A 104 -2.583 11.197 18.787 1.00 0.00 C ATOM 0 H LEU A 104 -3.672 14.212 20.638 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.902 15.808 18.596 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.007 13.863 17.576 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.985 13.564 19.303 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.337 12.408 18.751 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.196 11.204 16.607 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.283 12.965 16.370 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.727 12.119 16.194 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.126 10.267 18.622 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.616 11.146 18.287 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.432 11.344 19.856 1.00 0.00 H new ATOM 1761 N GLU A 105 -5.799 14.523 17.934 1.00 0.00 N ATOM 1762 CA GLU A 105 -6.917 14.538 16.998 1.00 0.00 C ATOM 1763 C GLU A 105 -7.023 15.890 16.299 1.00 0.00 C ATOM 1764 O GLU A 105 -7.329 15.963 15.108 1.00 0.00 O ATOM 1765 CB GLU A 105 -8.225 14.224 17.727 1.00 0.00 C ATOM 1766 CG GLU A 105 -8.262 12.834 18.339 1.00 0.00 C ATOM 1767 CD GLU A 105 -9.638 12.460 18.855 1.00 0.00 C ATOM 1768 OE1 GLU A 105 -10.570 12.346 18.032 1.00 0.00 O ATOM 1769 OE2 GLU A 105 -9.783 12.283 20.083 1.00 0.00 O ATOM 0 H GLU A 105 -6.021 14.133 18.850 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.737 13.772 16.244 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.379 14.962 18.514 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.055 14.326 17.027 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.947 12.104 17.593 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.545 12.783 19.158 1.00 0.00 H new ATOM 1776 N HIS A 106 -6.769 16.958 17.047 1.00 0.00 N ATOM 1777 CA HIS A 106 -6.836 18.309 16.500 1.00 0.00 C ATOM 1778 C HIS A 106 -6.235 18.358 15.099 1.00 0.00 C ATOM 1779 O HIS A 106 -6.575 19.228 14.296 1.00 0.00 O ATOM 1780 CB HIS A 106 -6.104 19.290 17.417 1.00 0.00 C ATOM 1781 CG HIS A 106 -6.979 19.889 18.474 1.00 0.00 C ATOM 1782 ND1 HIS A 106 -8.287 20.262 18.247 1.00 0.00 N ATOM 1783 CD2 HIS A 106 -6.727 20.178 19.772 1.00 0.00 C ATOM 1784 CE1 HIS A 106 -8.801 20.756 19.358 1.00 0.00 C ATOM 1785 NE2 HIS A 106 -7.875 20.716 20.300 1.00 0.00 N ATOM 0 H HIS A 106 -6.515 16.915 18.034 1.00 0.00 H new ATOM 0 HA HIS A 106 -7.885 18.597 16.436 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -5.271 18.775 17.896 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.678 20.091 16.813 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.796 20.016 20.295 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.807 21.129 19.477 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -7.994 21.033 21.262 1.00 0.00 H new ATOM 1794 N LEU A 107 -5.339 17.419 14.812 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.690 17.356 13.507 1.00 0.00 C ATOM 1796 C LEU A 107 -5.556 16.601 12.504 1.00 0.00 C ATOM 1797 O LEU A 107 -5.047 16.000 11.558 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.323 16.680 13.628 1.00 0.00 C ATOM 1799 CG LEU A 107 -2.276 17.427 14.455 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -1.058 16.547 14.694 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -1.873 18.720 13.762 1.00 0.00 C ATOM 0 H LEU A 107 -5.046 16.692 15.465 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.554 18.376 13.146 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.466 15.692 14.066 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.924 16.529 12.625 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.714 17.677 15.421 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.323 17.095 15.284 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.359 15.648 15.232 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -0.618 16.267 13.737 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.127 19.239 14.365 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.453 18.492 12.782 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.749 19.357 13.642 1.00 0.00 H new ATOM 1813 N GLU A 108 -6.868 16.638 12.716 1.00 0.00 N ATOM 1814 CA GLU A 108 -7.804 15.958 11.829 1.00 0.00 C ATOM 1815 C GLU A 108 -8.087 16.800 10.588 1.00 0.00 C ATOM 1816 O GLU A 108 -8.272 16.268 9.494 1.00 0.00 O ATOM 1817 CB GLU A 108 -9.112 15.659 12.565 1.00 0.00 C ATOM 1818 CG GLU A 108 -9.839 16.903 13.046 1.00 0.00 C ATOM 1819 CD GLU A 108 -11.095 16.579 13.831 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -12.160 16.406 13.203 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -11.011 16.498 15.075 1.00 0.00 O ATOM 0 H GLU A 108 -7.306 17.131 13.494 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.350 15.019 11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.771 15.097 11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.899 15.019 13.421 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.168 17.493 13.670 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.101 17.521 12.187 1.00 0.00 H new ATOM 1828 N SER A 109 -8.119 18.116 10.768 1.00 0.00 N ATOM 1829 CA SER A 109 -8.384 19.032 9.665 1.00 0.00 C ATOM 1830 C SER A 109 -7.223 20.005 9.476 1.00 0.00 C ATOM 1831 O SER A 109 -6.714 20.172 8.368 1.00 0.00 O ATOM 1832 CB SER A 109 -9.678 19.808 9.917 1.00 0.00 C ATOM 1833 OG SER A 109 -10.814 19.019 9.610 1.00 0.00 O ATOM 0 H SER A 109 -7.965 18.572 11.667 1.00 0.00 H new ATOM 0 HA SER A 109 -8.494 18.443 8.755 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.720 20.122 10.960 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.686 20.714 9.311 1.00 0.00 H new ATOM 0 HG SER A 109 -11.628 19.537 9.781 1.00 0.00 H new ATOM 1839 N GLN A 110 -6.811 20.643 10.566 1.00 0.00 N ATOM 1840 CA GLN A 110 -5.711 21.600 10.521 1.00 0.00 C ATOM 1841 C GLN A 110 -4.497 21.000 9.820 1.00 0.00 C ATOM 1842 O GLN A 110 -3.805 21.683 9.066 1.00 0.00 O ATOM 1843 CB GLN A 110 -5.332 22.040 11.936 1.00 0.00 C ATOM 1844 CG GLN A 110 -4.264 23.121 11.971 1.00 0.00 C ATOM 1845 CD GLN A 110 -3.980 23.616 13.376 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -4.098 24.807 13.663 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -3.603 22.700 14.261 1.00 0.00 N ATOM 0 H GLN A 110 -7.222 20.515 11.491 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.042 22.470 9.954 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -6.224 22.405 12.445 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.979 21.173 12.495 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -3.344 22.732 11.534 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -4.581 23.960 11.352 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -3.518 21.723 13.979 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -3.398 22.973 15.222 1.00 0.00 H new ATOM 1856 N GLU A 111 -4.245 19.720 10.075 1.00 0.00 N ATOM 1857 CA GLU A 111 -3.112 19.030 9.468 1.00 0.00 C ATOM 1858 C GLU A 111 -3.202 19.073 7.945 1.00 0.00 C ATOM 1859 O GLU A 111 -2.218 19.360 7.262 1.00 0.00 O ATOM 1860 CB GLU A 111 -3.056 17.577 9.946 1.00 0.00 C ATOM 1861 CG GLU A 111 -1.655 16.991 9.949 1.00 0.00 C ATOM 1862 CD GLU A 111 -1.524 15.795 10.872 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -2.499 15.022 10.981 1.00 0.00 O ATOM 1864 OE2 GLU A 111 -0.449 15.633 11.485 1.00 0.00 O ATOM 0 H GLU A 111 -4.809 19.140 10.697 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.200 19.542 9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.467 17.519 10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.694 16.968 9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.388 16.693 8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -0.945 17.760 10.253 1.00 0.00 H new ATOM 1871 N LEU A 112 -4.387 18.785 7.420 1.00 0.00 N ATOM 1872 CA LEU A 112 -4.606 18.790 5.978 1.00 0.00 C ATOM 1873 C LEU A 112 -4.050 20.063 5.346 1.00 0.00 C ATOM 1874 O LEU A 112 -3.232 20.005 4.428 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.099 18.665 5.668 1.00 0.00 C ATOM 1876 CG LEU A 112 -6.714 17.280 5.875 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -8.230 17.350 5.787 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -6.163 16.295 4.854 1.00 0.00 C ATOM 0 H LEU A 112 -5.211 18.545 7.971 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.079 17.935 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.640 19.377 6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.260 18.961 4.631 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.445 16.929 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.649 16.355 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.608 18.023 6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.521 17.722 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.611 15.315 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.401 16.642 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.081 16.222 4.966 1.00 0.00 H new ATOM 1890 N SER A 113 -4.497 21.210 5.847 1.00 0.00 N ATOM 1891 CA SER A 113 -4.045 22.497 5.331 1.00 0.00 C ATOM 1892 C SER A 113 -4.161 23.581 6.398 1.00 0.00 C ATOM 1893 O SER A 113 -5.108 23.596 7.184 1.00 0.00 O ATOM 1894 CB SER A 113 -4.859 22.890 4.098 1.00 0.00 C ATOM 1895 OG SER A 113 -4.238 23.952 3.394 1.00 0.00 O ATOM 0 H SER A 113 -5.172 21.275 6.609 1.00 0.00 H new ATOM 0 HA SER A 113 -2.997 22.400 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.968 22.028 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.863 23.188 4.401 1.00 0.00 H new ATOM 0 HG SER A 113 -4.777 24.183 2.609 1.00 0.00 H new ATOM 1901 N GLY A 114 -3.189 24.488 6.420 1.00 0.00 N ATOM 1902 CA GLY A 114 -3.200 25.564 7.394 1.00 0.00 C ATOM 1903 C GLY A 114 -4.107 26.708 6.985 1.00 0.00 C ATOM 1904 O GLY A 114 -5.232 26.839 7.467 1.00 0.00 O ATOM 0 H GLY A 114 -2.394 24.497 5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.525 25.174 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.185 25.939 7.528 1.00 0.00 H new ATOM 1908 N PRO A 115 -3.615 27.561 6.075 1.00 0.00 N ATOM 1909 CA PRO A 115 -4.372 28.715 5.582 1.00 0.00 C ATOM 1910 C PRO A 115 -5.549 28.304 4.704 1.00 0.00 C ATOM 1911 O PRO A 115 -5.364 27.839 3.579 1.00 0.00 O ATOM 1912 CB PRO A 115 -3.340 29.493 4.762 1.00 0.00 C ATOM 1913 CG PRO A 115 -2.343 28.470 4.339 1.00 0.00 C ATOM 1914 CD PRO A 115 -2.282 27.465 5.456 1.00 0.00 C ATOM 0 HA PRO A 115 -4.812 29.291 6.396 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -3.801 29.976 3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -2.873 30.279 5.356 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -2.642 27.997 3.404 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -1.367 28.924 4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -2.084 26.460 5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -1.491 27.702 6.167 1.00 0.00 H new ATOM 1922 N SER A 116 -6.760 28.480 5.224 1.00 0.00 N ATOM 1923 CA SER A 116 -7.967 28.124 4.488 1.00 0.00 C ATOM 1924 C SER A 116 -7.831 28.488 3.013 1.00 0.00 C ATOM 1925 O SER A 116 -7.187 29.476 2.662 1.00 0.00 O ATOM 1926 CB SER A 116 -9.183 28.831 5.090 1.00 0.00 C ATOM 1927 OG SER A 116 -9.606 28.194 6.282 1.00 0.00 O ATOM 0 H SER A 116 -6.931 28.867 6.152 1.00 0.00 H new ATOM 0 HA SER A 116 -8.107 27.046 4.566 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.936 29.872 5.299 1.00 0.00 H new ATOM 0 HB3 SER A 116 -9.999 28.836 4.367 1.00 0.00 H new ATOM 0 HG SER A 116 -10.383 28.666 6.647 1.00 0.00 H new ATOM 1933 N SER A 117 -8.444 27.681 2.152 1.00 0.00 N ATOM 1934 CA SER A 117 -8.389 27.914 0.714 1.00 0.00 C ATOM 1935 C SER A 117 -8.931 29.298 0.367 1.00 0.00 C ATOM 1936 O SER A 117 -9.991 29.699 0.844 1.00 0.00 O ATOM 1937 CB SER A 117 -9.186 26.841 -0.029 1.00 0.00 C ATOM 1938 OG SER A 117 -9.377 27.196 -1.388 1.00 0.00 O ATOM 0 H SER A 117 -8.984 26.860 2.426 1.00 0.00 H new ATOM 0 HA SER A 117 -7.346 27.862 0.402 1.00 0.00 H new ATOM 0 HB2 SER A 117 -8.661 25.887 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 117 -10.154 26.703 0.453 1.00 0.00 H new ATOM 0 HG SER A 117 -9.888 26.493 -1.841 1.00 0.00 H new ATOM 1944 N GLY A 118 -8.193 30.023 -0.468 1.00 0.00 N ATOM 1945 CA GLY A 118 -8.614 31.354 -0.866 1.00 0.00 C ATOM 1946 C GLY A 118 -8.396 32.381 0.227 1.00 0.00 C ATOM 1947 O GLY A 118 -7.307 32.473 0.793 1.00 0.00 O ATOM 0 H GLY A 118 -7.311 29.713 -0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -8.064 31.654 -1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -9.670 31.333 -1.135 1.00 0.00 H new TER 1951 GLY A 118