USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 730 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 ASN : amide:sc= -0.0716 K(o=-0.072,f=-1.9!) USER MOD Set 1.2: A 33 ASN : amide:sc= 0 X(o=-0.072,f=-0.072) USER MOD Single : A 7 LYS NZ :NH3+ 148:sc= -0.136 (180deg=-0.746) USER MOD Single : A 11 ASN : amide:sc= -0.479 K(o=-0.48,f=-5.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 120:sc= -1.52! USER MOD Single : A 22 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4!) USER MOD Single : A 28 TYR OH : rot 150:sc= 0.316 USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= 1.27 (180deg=1.05) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.12) USER MOD Single : A 37 MET CE :methyl 180:sc= -0.162 (180deg=-0.162) USER MOD Single : A 41 HIS : no HD1:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 42 THR OG1 : rot 126:sc= 0.207 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc=-0.00158 USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 2.32 (180deg=2.28) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.472 X(o=-0.47,f=0) USER MOD Single : A 58 CYS SG : rot -71:sc= 0.823 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot -99:sc= 1.24 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0985 X(o=-0.099,f=-0.056) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 40:sc= 1.22 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -101:sc= -3.05! USER MOD Single : A 77 SER OG : rot -42:sc= 1.31 USER MOD Single : A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 SER OG : rot -50:sc= -3.3! USER MOD Single : A 82 THR OG1 : rot 170:sc= 0.588 USER MOD Single : A 87 ASN : amide:sc=-0.00497 X(o=-0.005,f=-0.005) USER MOD Single : A 89 SER OG : rot -44:sc= 0.42 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 18:sc= 0.881 USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 6 11.026 1.322 -8.809 1.00 0.66 N ATOM 74 CA PRO A 6 11.648 0.573 -7.707 1.00 0.47 C ATOM 75 C PRO A 6 11.489 -0.933 -7.892 1.00 0.48 C ATOM 76 O PRO A 6 10.742 -1.379 -8.767 1.00 0.62 O ATOM 77 CB PRO A 6 10.875 1.044 -6.463 1.00 0.59 C ATOM 78 CG PRO A 6 10.096 2.238 -6.902 1.00 0.87 C ATOM 79 CD PRO A 6 9.829 2.042 -8.362 1.00 0.84 C ATOM 0 HA PRO A 6 12.721 0.752 -7.642 1.00 0.47 H new ATOM 0 HB2 PRO A 6 10.215 0.260 -6.092 1.00 0.59 H new ATOM 0 HB3 PRO A 6 11.556 1.298 -5.651 1.00 0.59 H new ATOM 0 HG2 PRO A 6 9.164 2.323 -6.343 1.00 0.87 H new ATOM 0 HG3 PRO A 6 10.657 3.156 -6.728 1.00 0.87 H new ATOM 0 HD2 PRO A 6 8.920 1.465 -8.535 1.00 0.84 H new ATOM 0 HD3 PRO A 6 9.708 2.991 -8.884 1.00 0.84 H new ATOM 87 N LYS A 7 12.175 -1.724 -7.074 1.00 0.45 N ATOM 88 CA LYS A 7 12.080 -3.171 -7.190 1.00 0.52 C ATOM 89 C LYS A 7 11.228 -3.673 -6.048 1.00 0.42 C ATOM 90 O LYS A 7 11.746 -4.048 -5.000 1.00 0.42 O ATOM 91 CB LYS A 7 13.457 -3.853 -7.117 1.00 0.65 C ATOM 92 CG LYS A 7 14.548 -3.234 -7.984 1.00 1.24 C ATOM 93 CD LYS A 7 14.247 -3.355 -9.468 1.00 1.37 C ATOM 94 CE LYS A 7 13.826 -2.020 -10.048 1.00 1.70 C ATOM 95 NZ LYS A 7 14.904 -0.999 -9.917 1.00 2.49 N ATOM 0 H LYS A 7 12.794 -1.392 -6.334 1.00 0.45 H new ATOM 0 HA LYS A 7 11.645 -3.412 -8.160 1.00 0.52 H new ATOM 0 HB2 LYS A 7 13.793 -3.842 -6.080 1.00 0.65 H new ATOM 0 HB3 LYS A 7 13.340 -4.898 -7.403 1.00 0.65 H new ATOM 0 HG2 LYS A 7 14.662 -2.182 -7.724 1.00 1.24 H new ATOM 0 HG3 LYS A 7 15.499 -3.720 -7.768 1.00 1.24 H new ATOM 0 HD2 LYS A 7 15.129 -3.721 -9.993 1.00 1.37 H new ATOM 0 HD3 LYS A 7 13.456 -4.089 -9.624 1.00 1.37 H new ATOM 0 HE2 LYS A 7 13.569 -2.145 -11.100 1.00 1.70 H new ATOM 0 HE3 LYS A 7 12.928 -1.669 -9.539 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 14.858 -0.340 -10.720 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 14.777 -0.472 -9.029 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 15.831 -1.471 -9.910 1.00 2.49 H new ATOM 109 N ILE A 8 9.924 -3.666 -6.226 1.00 0.41 N ATOM 110 CA ILE A 8 9.054 -3.999 -5.124 1.00 0.34 C ATOM 111 C ILE A 8 8.700 -5.474 -5.162 1.00 0.36 C ATOM 112 O ILE A 8 8.086 -5.954 -6.114 1.00 0.48 O ATOM 113 CB ILE A 8 7.766 -3.155 -5.107 1.00 0.45 C ATOM 114 CG1 ILE A 8 8.086 -1.682 -5.377 1.00 0.72 C ATOM 115 CG2 ILE A 8 7.082 -3.302 -3.754 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.909 -1.030 -4.286 1.00 0.39 C ATOM 0 H ILE A 8 9.454 -3.439 -7.102 1.00 0.41 H new ATOM 0 HA ILE A 8 9.603 -3.772 -4.210 1.00 0.34 H new ATOM 0 HB ILE A 8 7.098 -3.510 -5.892 1.00 0.45 H new ATOM 0 HG12 ILE A 8 8.623 -1.603 -6.322 1.00 0.72 H new ATOM 0 HG13 ILE A 8 7.152 -1.132 -5.494 1.00 0.72 H new ATOM 0 HG21 ILE A 8 6.170 -2.705 -3.741 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.833 -4.349 -3.584 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.753 -2.957 -2.968 1.00 0.36 H new ATOM 0 HD11 ILE A 8 9.097 0.012 -4.545 1.00 0.39 H new ATOM 0 HD12 ILE A 8 8.365 -1.077 -3.343 1.00 0.39 H new ATOM 0 HD13 ILE A 8 9.859 -1.555 -4.183 1.00 0.39 H new ATOM 128 N VAL A 9 9.103 -6.185 -4.129 1.00 0.31 N ATOM 129 CA VAL A 9 8.908 -7.608 -4.052 1.00 0.36 C ATOM 130 C VAL A 9 7.684 -7.911 -3.209 1.00 0.34 C ATOM 131 O VAL A 9 7.176 -7.041 -2.499 1.00 0.47 O ATOM 132 CB VAL A 9 10.146 -8.294 -3.439 1.00 0.41 C ATOM 133 CG1 VAL A 9 11.414 -7.777 -4.091 1.00 0.89 C ATOM 134 CG2 VAL A 9 10.202 -8.099 -1.930 1.00 0.86 C ATOM 0 H VAL A 9 9.576 -5.785 -3.319 1.00 0.31 H new ATOM 0 HA VAL A 9 8.761 -7.995 -5.061 1.00 0.36 H new ATOM 0 HB VAL A 9 10.064 -9.364 -3.631 1.00 0.41 H new ATOM 0 HG11 VAL A 9 12.279 -8.271 -3.647 1.00 0.89 H new ATOM 0 HG12 VAL A 9 11.385 -7.987 -5.160 1.00 0.89 H new ATOM 0 HG13 VAL A 9 11.491 -6.701 -3.935 1.00 0.89 H new ATOM 0 HG21 VAL A 9 11.087 -8.595 -1.532 1.00 0.86 H new ATOM 0 HG22 VAL A 9 10.250 -7.034 -1.702 1.00 0.86 H new ATOM 0 HG23 VAL A 9 9.309 -8.528 -1.474 1.00 0.86 H new ATOM 144 N TRP A 10 7.205 -9.135 -3.287 1.00 0.33 N ATOM 145 CA TRP A 10 6.077 -9.539 -2.484 1.00 0.31 C ATOM 146 C TRP A 10 6.490 -10.619 -1.500 1.00 0.34 C ATOM 147 O TRP A 10 6.771 -11.757 -1.879 1.00 0.42 O ATOM 148 CB TRP A 10 4.922 -10.009 -3.368 1.00 0.38 C ATOM 149 CG TRP A 10 3.737 -10.477 -2.582 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.259 -9.921 -1.436 1.00 0.40 C ATOM 151 CD2 TRP A 10 2.877 -11.581 -2.883 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.170 -10.613 -0.989 1.00 0.46 N ATOM 153 CE2 TRP A 10 1.906 -11.637 -1.865 1.00 0.52 C ATOM 154 CE3 TRP A 10 2.831 -12.527 -3.911 1.00 0.60 C ATOM 155 CZ2 TRP A 10 0.904 -12.604 -1.844 1.00 0.62 C ATOM 156 CZ3 TRP A 10 1.834 -13.487 -3.888 1.00 0.71 C ATOM 157 CH2 TRP A 10 0.883 -13.518 -2.862 1.00 0.72 C ATOM 0 H TRP A 10 7.579 -9.862 -3.896 1.00 0.33 H new ATOM 0 HA TRP A 10 5.729 -8.677 -1.916 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.617 -9.193 -4.023 1.00 0.38 H new ATOM 0 HB3 TRP A 10 5.269 -10.819 -4.009 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.681 -9.055 -0.949 1.00 0.40 H new ATOM 0 HE1 TRP A 10 1.640 -10.404 -0.143 1.00 0.46 H new ATOM 0 HE3 TRP A 10 3.560 -12.509 -4.708 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 0.170 -12.631 -1.052 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 1.789 -14.225 -4.675 1.00 0.71 H new ATOM 0 HH2 TRP A 10 0.117 -14.279 -2.874 1.00 0.72 H new ATOM 168 N ASN A 11 6.546 -10.242 -0.236 1.00 0.34 N ATOM 169 CA ASN A 11 6.852 -11.177 0.824 1.00 0.43 C ATOM 170 C ASN A 11 5.567 -11.872 1.246 1.00 0.45 C ATOM 171 O ASN A 11 4.945 -11.518 2.252 1.00 0.46 O ATOM 172 CB ASN A 11 7.491 -10.463 2.008 1.00 0.47 C ATOM 173 CG ASN A 11 8.191 -11.419 2.955 1.00 0.63 C ATOM 174 OD1 ASN A 11 7.791 -12.574 3.122 1.00 1.39 O ATOM 175 ND2 ASN A 11 9.254 -10.941 3.568 1.00 1.08 N ATOM 0 H ASN A 11 6.382 -9.286 0.080 1.00 0.34 H new ATOM 0 HA ASN A 11 7.567 -11.916 0.463 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.209 -9.729 1.641 1.00 0.47 H new ATOM 0 HB3 ASN A 11 6.724 -9.913 2.553 1.00 0.47 H new ATOM 0 HD21 ASN A 11 9.781 -11.532 4.210 1.00 1.08 H new ATOM 0 HD22 ASN A 11 9.550 -9.979 3.401 1.00 1.08 H new ATOM 182 N GLU A 12 5.163 -12.832 0.431 1.00 0.53 N ATOM 183 CA GLU A 12 3.914 -13.557 0.616 1.00 0.59 C ATOM 184 C GLU A 12 3.862 -14.283 1.955 1.00 0.62 C ATOM 185 O GLU A 12 2.782 -14.561 2.473 1.00 0.65 O ATOM 186 CB GLU A 12 3.729 -14.563 -0.518 1.00 0.76 C ATOM 187 CG GLU A 12 4.883 -15.543 -0.650 1.00 1.09 C ATOM 188 CD GLU A 12 4.627 -16.605 -1.695 1.00 1.43 C ATOM 189 OE1 GLU A 12 3.893 -17.570 -1.394 1.00 1.71 O ATOM 190 OE2 GLU A 12 5.165 -16.485 -2.814 1.00 1.92 O ATOM 0 H GLU A 12 5.696 -13.134 -0.385 1.00 0.53 H new ATOM 0 HA GLU A 12 3.107 -12.825 0.606 1.00 0.59 H new ATOM 0 HB2 GLU A 12 2.806 -15.120 -0.353 1.00 0.76 H new ATOM 0 HB3 GLU A 12 3.612 -14.023 -1.457 1.00 0.76 H new ATOM 0 HG2 GLU A 12 5.791 -14.997 -0.907 1.00 1.09 H new ATOM 0 HG3 GLU A 12 5.060 -16.021 0.313 1.00 1.09 H new ATOM 197 N GLY A 13 5.027 -14.567 2.522 1.00 0.65 N ATOM 198 CA GLY A 13 5.079 -15.309 3.764 1.00 0.73 C ATOM 199 C GLY A 13 4.696 -14.448 4.943 1.00 0.70 C ATOM 200 O GLY A 13 4.347 -14.950 6.010 1.00 0.80 O ATOM 0 H GLY A 13 5.935 -14.297 2.144 1.00 0.65 H new ATOM 0 HA2 GLY A 13 4.407 -16.165 3.705 1.00 0.73 H new ATOM 0 HA3 GLY A 13 6.085 -15.702 3.912 1.00 0.73 H new ATOM 204 N LYS A 14 4.769 -13.141 4.746 1.00 0.59 N ATOM 205 CA LYS A 14 4.411 -12.186 5.782 1.00 0.59 C ATOM 206 C LYS A 14 3.152 -11.441 5.376 1.00 0.51 C ATOM 207 O LYS A 14 2.656 -10.589 6.118 1.00 0.55 O ATOM 208 CB LYS A 14 5.550 -11.189 5.991 1.00 0.61 C ATOM 209 CG LYS A 14 6.920 -11.835 6.089 1.00 0.86 C ATOM 210 CD LYS A 14 7.041 -12.769 7.280 1.00 1.21 C ATOM 211 CE LYS A 14 8.330 -13.566 7.197 1.00 1.26 C ATOM 212 NZ LYS A 14 8.633 -14.295 8.453 1.00 1.79 N ATOM 0 H LYS A 14 5.075 -12.715 3.871 1.00 0.59 H new ATOM 0 HA LYS A 14 4.232 -12.723 6.713 1.00 0.59 H new ATOM 0 HB2 LYS A 14 5.553 -10.477 5.166 1.00 0.61 H new ATOM 0 HB3 LYS A 14 5.361 -10.621 6.902 1.00 0.61 H new ATOM 0 HG2 LYS A 14 7.122 -12.391 5.174 1.00 0.86 H new ATOM 0 HG3 LYS A 14 7.680 -11.057 6.163 1.00 0.86 H new ATOM 0 HD2 LYS A 14 7.021 -12.193 8.205 1.00 1.21 H new ATOM 0 HD3 LYS A 14 6.188 -13.447 7.307 1.00 1.21 H new ATOM 0 HE2 LYS A 14 8.259 -14.279 6.376 1.00 1.26 H new ATOM 0 HE3 LYS A 14 9.155 -12.892 6.964 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 9.523 -14.822 8.342 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 8.728 -13.615 9.234 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 7.861 -14.959 8.664 1.00 1.79 H new ATOM 226 N ARG A 15 2.644 -11.782 4.191 1.00 0.45 N ATOM 227 CA ARG A 15 1.512 -11.084 3.595 1.00 0.44 C ATOM 228 C ARG A 15 1.834 -9.607 3.462 1.00 0.37 C ATOM 229 O ARG A 15 1.115 -8.754 3.979 1.00 0.52 O ATOM 230 CB ARG A 15 0.249 -11.277 4.432 1.00 0.56 C ATOM 231 CG ARG A 15 -0.139 -12.729 4.603 1.00 0.66 C ATOM 232 CD ARG A 15 -1.222 -12.902 5.651 1.00 0.87 C ATOM 233 NE ARG A 15 -0.758 -12.493 6.977 1.00 1.83 N ATOM 234 CZ ARG A 15 -0.589 -13.330 7.998 1.00 2.36 C ATOM 235 NH1 ARG A 15 -0.809 -14.631 7.838 1.00 2.32 N ATOM 236 NH2 ARG A 15 -0.186 -12.871 9.177 1.00 3.42 N ATOM 0 H ARG A 15 3.006 -12.547 3.622 1.00 0.45 H new ATOM 0 HA ARG A 15 1.328 -11.503 2.606 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.401 -10.831 5.415 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.575 -10.741 3.962 1.00 0.56 H new ATOM 0 HG2 ARG A 15 -0.488 -13.127 3.650 1.00 0.66 H new ATOM 0 HG3 ARG A 15 0.739 -13.309 4.888 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -2.096 -12.313 5.373 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -1.537 -13.945 5.681 1.00 0.87 H new ATOM 0 HE ARG A 15 -0.551 -11.506 7.128 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -1.108 -14.990 6.931 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -0.679 -15.270 8.622 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -0.005 -11.875 9.302 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -0.057 -13.514 9.958 1.00 3.42 H new ATOM 250 N ARG A 16 2.940 -9.307 2.794 1.00 0.27 N ATOM 251 CA ARG A 16 3.360 -7.927 2.640 1.00 0.24 C ATOM 252 C ARG A 16 4.210 -7.712 1.406 1.00 0.23 C ATOM 253 O ARG A 16 4.608 -8.656 0.739 1.00 0.29 O ATOM 254 CB ARG A 16 4.155 -7.464 3.850 1.00 0.33 C ATOM 255 CG ARG A 16 5.451 -8.222 4.097 1.00 0.55 C ATOM 256 CD ARG A 16 6.277 -7.535 5.177 1.00 0.68 C ATOM 257 NE ARG A 16 7.698 -7.877 5.101 1.00 0.91 N ATOM 258 CZ ARG A 16 8.560 -7.702 6.104 1.00 1.02 C ATOM 259 NH1 ARG A 16 8.139 -7.252 7.281 1.00 1.02 N ATOM 260 NH2 ARG A 16 9.843 -7.983 5.927 1.00 1.86 N ATOM 0 H ARG A 16 3.554 -9.994 2.356 1.00 0.27 H new ATOM 0 HA ARG A 16 2.444 -7.345 2.540 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.388 -6.406 3.730 1.00 0.33 H new ATOM 0 HB3 ARG A 16 3.525 -7.553 4.735 1.00 0.33 H new ATOM 0 HG2 ARG A 16 5.228 -9.246 4.398 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.027 -8.280 3.173 1.00 0.55 H new ATOM 0 HD2 ARG A 16 6.162 -6.455 5.086 1.00 0.68 H new ATOM 0 HD3 ARG A 16 5.892 -7.815 6.157 1.00 0.68 H new ATOM 0 HE ARG A 16 8.050 -8.273 4.229 1.00 0.91 H new ATOM 0 HH11 ARG A 16 7.152 -7.038 7.422 1.00 1.02 H new ATOM 0 HH12 ARG A 16 8.803 -7.120 8.044 1.00 1.02 H new ATOM 0 HH21 ARG A 16 10.169 -8.332 5.026 1.00 1.86 H new ATOM 0 HH22 ARG A 16 10.504 -7.850 6.692 1.00 1.86 H new ATOM 274 N PHE A 17 4.512 -6.453 1.144 1.00 0.23 N ATOM 275 CA PHE A 17 5.369 -6.078 0.024 1.00 0.24 C ATOM 276 C PHE A 17 6.616 -5.383 0.550 1.00 0.30 C ATOM 277 O PHE A 17 6.606 -4.840 1.654 1.00 0.55 O ATOM 278 CB PHE A 17 4.656 -5.143 -0.959 1.00 0.28 C ATOM 279 CG PHE A 17 3.335 -5.651 -1.456 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.282 -6.658 -2.405 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.147 -5.129 -0.972 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.069 -7.131 -2.862 1.00 0.39 C ATOM 283 CE2 PHE A 17 0.930 -5.601 -1.427 1.00 0.40 C ATOM 284 CZ PHE A 17 0.888 -6.583 -2.382 1.00 0.41 C ATOM 0 H PHE A 17 4.175 -5.664 1.695 1.00 0.23 H new ATOM 0 HA PHE A 17 5.632 -6.992 -0.509 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.501 -4.178 -0.476 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.309 -4.970 -1.814 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.199 -7.077 -2.791 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.172 -4.344 -0.231 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.039 -7.926 -3.592 1.00 0.39 H new ATOM 0 HE2 PHE A 17 0.011 -5.195 -1.029 1.00 0.40 H new ATOM 0 HZ PHE A 17 -0.062 -6.930 -2.760 1.00 0.41 H new ATOM 294 N GLU A 18 7.675 -5.390 -0.243 1.00 0.22 N ATOM 295 CA GLU A 18 8.946 -4.797 0.155 1.00 0.25 C ATOM 296 C GLU A 18 9.629 -4.152 -1.030 1.00 0.29 C ATOM 297 O GLU A 18 9.520 -4.641 -2.141 1.00 0.39 O ATOM 298 CB GLU A 18 9.855 -5.868 0.754 1.00 0.34 C ATOM 299 CG GLU A 18 9.728 -6.010 2.256 1.00 1.08 C ATOM 300 CD GLU A 18 10.476 -7.212 2.793 1.00 0.96 C ATOM 301 OE1 GLU A 18 11.720 -7.164 2.860 1.00 0.85 O ATOM 302 OE2 GLU A 18 9.826 -8.220 3.149 1.00 1.16 O ATOM 0 H GLU A 18 7.681 -5.804 -1.175 1.00 0.22 H new ATOM 0 HA GLU A 18 8.749 -4.029 0.903 1.00 0.25 H new ATOM 0 HB2 GLU A 18 9.627 -6.826 0.288 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.890 -5.632 0.507 1.00 0.34 H new ATOM 0 HG2 GLU A 18 10.106 -5.107 2.736 1.00 1.08 H new ATOM 0 HG3 GLU A 18 8.674 -6.094 2.521 1.00 1.08 H new ATOM 309 N THR A 19 10.332 -3.059 -0.803 1.00 0.25 N ATOM 310 CA THR A 19 11.069 -2.424 -1.870 1.00 0.29 C ATOM 311 C THR A 19 12.394 -3.164 -2.076 1.00 0.35 C ATOM 312 O THR A 19 12.667 -4.155 -1.388 1.00 0.37 O ATOM 313 CB THR A 19 11.309 -0.931 -1.555 1.00 0.33 C ATOM 314 OG1 THR A 19 11.913 -0.260 -2.667 1.00 0.46 O ATOM 315 CG2 THR A 19 12.194 -0.785 -0.342 1.00 0.37 C ATOM 0 H THR A 19 10.406 -2.598 0.104 1.00 0.25 H new ATOM 0 HA THR A 19 10.488 -2.474 -2.791 1.00 0.29 H new ATOM 0 HB THR A 19 10.340 -0.475 -1.355 1.00 0.33 H new ATOM 0 HG1 THR A 19 11.327 0.465 -2.970 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.354 0.273 -0.133 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.715 -1.256 0.516 1.00 0.37 H new ATOM 0 HG23 THR A 19 13.154 -1.266 -0.532 1.00 0.37 H new ATOM 323 N GLU A 20 13.223 -2.676 -2.994 1.00 0.43 N ATOM 324 CA GLU A 20 14.492 -3.323 -3.319 1.00 0.53 C ATOM 325 C GLU A 20 15.406 -3.361 -2.116 1.00 0.56 C ATOM 326 O GLU A 20 16.398 -4.094 -2.079 1.00 0.68 O ATOM 327 CB GLU A 20 15.208 -2.559 -4.428 1.00 0.62 C ATOM 328 CG GLU A 20 15.678 -1.171 -4.030 1.00 0.77 C ATOM 329 CD GLU A 20 14.723 -0.086 -4.472 1.00 1.31 C ATOM 330 OE1 GLU A 20 13.673 -0.430 -5.048 1.00 1.90 O ATOM 331 OE2 GLU A 20 15.023 1.110 -4.240 1.00 1.83 O ATOM 0 H GLU A 20 13.037 -1.828 -3.530 1.00 0.43 H new ATOM 0 HA GLU A 20 14.265 -4.339 -3.641 1.00 0.53 H new ATOM 0 HB2 GLU A 20 16.069 -3.141 -4.756 1.00 0.62 H new ATOM 0 HB3 GLU A 20 14.538 -2.471 -5.283 1.00 0.62 H new ATOM 0 HG2 GLU A 20 15.796 -1.128 -2.947 1.00 0.77 H new ATOM 0 HG3 GLU A 20 16.660 -0.985 -4.465 1.00 0.77 H new ATOM 338 N ASP A 21 15.057 -2.568 -1.136 1.00 0.52 N ATOM 339 CA ASP A 21 15.966 -2.258 -0.075 1.00 0.60 C ATOM 340 C ASP A 21 15.554 -2.949 1.217 1.00 0.54 C ATOM 341 O ASP A 21 16.318 -2.995 2.182 1.00 0.59 O ATOM 342 CB ASP A 21 16.080 -0.727 0.004 1.00 0.67 C ATOM 343 CG ASP A 21 15.040 0.011 0.841 1.00 0.97 C ATOM 344 OD1 ASP A 21 14.462 -0.638 1.741 1.00 1.31 O ATOM 345 OD2 ASP A 21 14.802 1.211 0.633 1.00 1.39 O ATOM 0 H ASP A 21 14.142 -2.125 -1.055 1.00 0.52 H new ATOM 0 HA ASP A 21 16.965 -2.649 -0.266 1.00 0.60 H new ATOM 0 HB2 ASP A 21 17.066 -0.482 0.399 1.00 0.67 H new ATOM 0 HB3 ASP A 21 16.037 -0.333 -1.011 1.00 0.67 H new ATOM 350 N HIS A 22 14.343 -3.519 1.199 1.00 0.45 N ATOM 351 CA HIS A 22 13.834 -4.367 2.282 1.00 0.45 C ATOM 352 C HIS A 22 13.738 -3.629 3.617 1.00 0.44 C ATOM 353 O HIS A 22 13.526 -4.247 4.662 1.00 0.51 O ATOM 354 CB HIS A 22 14.695 -5.625 2.434 1.00 0.57 C ATOM 355 CG HIS A 22 14.649 -6.534 1.242 1.00 0.64 C ATOM 356 ND1 HIS A 22 13.704 -7.521 1.088 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.441 -6.604 0.149 1.00 0.74 C ATOM 358 CE1 HIS A 22 13.920 -8.162 -0.044 1.00 0.76 C ATOM 359 NE2 HIS A 22 14.970 -7.626 -0.638 1.00 0.82 N ATOM 0 H HIS A 22 13.685 -3.404 0.428 1.00 0.45 H new ATOM 0 HA HIS A 22 12.821 -4.654 2.001 1.00 0.45 H new ATOM 0 HB2 HIS A 22 15.728 -5.328 2.614 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.364 -6.177 3.314 1.00 0.57 H new ATOM 0 HD1 HIS A 22 12.953 -7.726 1.747 1.00 0.65 H new ATOM 0 HD2 HIS A 22 16.290 -5.971 -0.066 1.00 0.74 H new ATOM 0 HE1 HIS A 22 13.335 -8.988 -0.422 1.00 0.76 H new ATOM 368 N GLU A 23 13.890 -2.317 3.582 1.00 0.47 N ATOM 369 CA GLU A 23 13.722 -1.499 4.766 1.00 0.52 C ATOM 370 C GLU A 23 12.404 -0.753 4.662 1.00 0.40 C ATOM 371 O GLU A 23 11.781 -0.411 5.666 1.00 0.49 O ATOM 372 CB GLU A 23 14.889 -0.525 4.918 1.00 0.69 C ATOM 373 CG GLU A 23 16.245 -1.204 4.889 1.00 0.84 C ATOM 374 CD GLU A 23 17.331 -0.339 5.483 1.00 1.51 C ATOM 375 OE1 GLU A 23 17.427 -0.257 6.723 1.00 1.72 O ATOM 376 OE2 GLU A 23 18.104 0.258 4.705 1.00 2.28 O ATOM 0 H GLU A 23 14.131 -1.794 2.740 1.00 0.47 H new ATOM 0 HA GLU A 23 13.709 -2.135 5.651 1.00 0.52 H new ATOM 0 HB2 GLU A 23 14.843 0.214 4.118 1.00 0.69 H new ATOM 0 HB3 GLU A 23 14.781 0.016 5.858 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.190 -2.144 5.439 1.00 0.84 H new ATOM 0 HG3 GLU A 23 16.503 -1.452 3.859 1.00 0.84 H new ATOM 383 N ALA A 24 12.001 -0.496 3.429 1.00 0.29 N ATOM 384 CA ALA A 24 10.671 0.011 3.152 1.00 0.22 C ATOM 385 C ALA A 24 9.753 -1.138 2.771 1.00 0.17 C ATOM 386 O ALA A 24 10.072 -1.932 1.881 1.00 0.19 O ATOM 387 CB ALA A 24 10.708 1.052 2.046 1.00 0.26 C ATOM 0 H ALA A 24 12.581 -0.632 2.601 1.00 0.29 H new ATOM 0 HA ALA A 24 10.286 0.491 4.051 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.699 1.417 1.856 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.344 1.884 2.350 1.00 0.26 H new ATOM 0 HB3 ALA A 24 11.108 0.603 1.137 1.00 0.26 H new ATOM 393 N PHE A 25 8.618 -1.225 3.445 1.00 0.14 N ATOM 394 CA PHE A 25 7.680 -2.312 3.226 1.00 0.15 C ATOM 395 C PHE A 25 6.278 -1.910 3.648 1.00 0.15 C ATOM 396 O PHE A 25 6.086 -0.905 4.336 1.00 0.17 O ATOM 397 CB PHE A 25 8.100 -3.567 3.999 1.00 0.23 C ATOM 398 CG PHE A 25 8.314 -3.351 5.473 1.00 0.30 C ATOM 399 CD1 PHE A 25 9.549 -2.944 5.954 1.00 0.37 C ATOM 400 CD2 PHE A 25 7.281 -3.549 6.377 1.00 0.39 C ATOM 401 CE1 PHE A 25 9.751 -2.741 7.305 1.00 0.47 C ATOM 402 CE2 PHE A 25 7.478 -3.348 7.730 1.00 0.49 C ATOM 403 CZ PHE A 25 8.706 -2.963 8.198 1.00 0.52 C ATOM 0 H PHE A 25 8.323 -0.551 4.152 1.00 0.14 H new ATOM 0 HA PHE A 25 7.684 -2.534 2.159 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.337 -4.333 3.864 1.00 0.23 H new ATOM 0 HB3 PHE A 25 9.021 -3.955 3.564 1.00 0.23 H new ATOM 0 HD1 PHE A 25 10.364 -2.784 5.263 1.00 0.37 H new ATOM 0 HD2 PHE A 25 6.312 -3.864 6.020 1.00 0.39 H new ATOM 0 HE1 PHE A 25 10.714 -2.412 7.667 1.00 0.47 H new ATOM 0 HE2 PHE A 25 6.661 -3.495 8.421 1.00 0.49 H new ATOM 0 HZ PHE A 25 8.864 -2.832 9.258 1.00 0.52 H new ATOM 413 N ILE A 26 5.309 -2.704 3.230 1.00 0.20 N ATOM 414 CA ILE A 26 3.932 -2.512 3.636 1.00 0.23 C ATOM 415 C ILE A 26 3.324 -3.859 3.982 1.00 0.23 C ATOM 416 O ILE A 26 3.508 -4.823 3.244 1.00 0.26 O ATOM 417 CB ILE A 26 3.103 -1.798 2.534 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.393 -0.597 3.144 1.00 0.41 C ATOM 419 CG2 ILE A 26 2.100 -2.730 1.854 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.379 0.049 2.233 1.00 0.73 C ATOM 0 H ILE A 26 5.455 -3.495 2.603 1.00 0.20 H new ATOM 0 HA ILE A 26 3.913 -1.866 4.514 1.00 0.23 H new ATOM 0 HB ILE A 26 3.792 -1.470 1.755 1.00 0.31 H new ATOM 0 HG12 ILE A 26 1.894 -0.911 4.061 1.00 0.41 H new ATOM 0 HG13 ILE A 26 3.138 0.147 3.426 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.549 -2.178 1.093 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.632 -3.559 1.387 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.403 -3.119 2.597 1.00 0.39 H new ATOM 0 HD11 ILE A 26 0.919 0.896 2.743 1.00 0.73 H new ATOM 0 HD12 ILE A 26 1.874 0.397 1.326 1.00 0.73 H new ATOM 0 HD13 ILE A 26 0.610 -0.678 1.971 1.00 0.73 H new ATOM 432 N GLU A 27 2.638 -3.935 5.110 1.00 0.22 N ATOM 433 CA GLU A 27 2.034 -5.189 5.544 1.00 0.23 C ATOM 434 C GLU A 27 0.538 -5.162 5.257 1.00 0.22 C ATOM 435 O GLU A 27 -0.039 -4.089 5.092 1.00 0.27 O ATOM 436 CB GLU A 27 2.298 -5.413 7.039 1.00 0.26 C ATOM 437 CG GLU A 27 1.880 -6.787 7.540 1.00 0.65 C ATOM 438 CD GLU A 27 2.218 -7.006 8.998 1.00 1.14 C ATOM 439 OE1 GLU A 27 3.370 -7.378 9.303 1.00 1.23 O ATOM 440 OE2 GLU A 27 1.329 -6.810 9.855 1.00 1.65 O ATOM 0 H GLU A 27 2.484 -3.149 5.741 1.00 0.22 H new ATOM 0 HA GLU A 27 2.481 -6.016 4.992 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.361 -5.274 7.235 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.766 -4.652 7.610 1.00 0.26 H new ATOM 0 HG2 GLU A 27 0.806 -6.909 7.398 1.00 0.65 H new ATOM 0 HG3 GLU A 27 2.370 -7.553 6.939 1.00 0.65 H new ATOM 447 N TYR A 28 -0.095 -6.323 5.160 1.00 0.23 N ATOM 448 CA TYR A 28 -1.532 -6.356 4.971 1.00 0.22 C ATOM 449 C TYR A 28 -2.116 -7.664 5.483 1.00 0.28 C ATOM 450 O TYR A 28 -1.386 -8.597 5.822 1.00 0.45 O ATOM 451 CB TYR A 28 -1.897 -6.143 3.488 1.00 0.29 C ATOM 452 CG TYR A 28 -1.519 -7.291 2.568 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.285 -8.452 2.521 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.403 -7.211 1.744 1.00 0.40 C ATOM 455 CE1 TYR A 28 -1.946 -9.500 1.690 1.00 0.56 C ATOM 456 CE2 TYR A 28 -0.059 -8.255 0.907 1.00 0.50 C ATOM 457 CZ TYR A 28 -0.833 -9.398 0.886 1.00 0.60 C ATOM 458 OH TYR A 28 -0.484 -10.442 0.062 1.00 0.70 O ATOM 0 H TYR A 28 0.356 -7.236 5.208 1.00 0.23 H new ATOM 0 HA TYR A 28 -1.965 -5.540 5.549 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -2.971 -5.975 3.413 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.407 -5.236 3.134 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.161 -8.534 3.147 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.205 -6.319 1.758 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.550 -10.395 1.670 1.00 0.56 H new ATOM 0 HE2 TYR A 28 0.811 -8.177 0.272 1.00 0.50 H new ATOM 0 HH TYR A 28 -0.027 -10.094 -0.732 1.00 0.70 H new ATOM 468 N LYS A 29 -3.435 -7.712 5.542 1.00 0.24 N ATOM 469 CA LYS A 29 -4.164 -8.923 5.883 1.00 0.32 C ATOM 470 C LYS A 29 -5.430 -8.983 5.044 1.00 0.25 C ATOM 471 O LYS A 29 -5.786 -8.004 4.392 1.00 0.31 O ATOM 472 CB LYS A 29 -4.528 -8.974 7.375 1.00 0.49 C ATOM 473 CG LYS A 29 -5.282 -7.751 7.869 1.00 0.58 C ATOM 474 CD LYS A 29 -4.329 -6.612 8.171 1.00 0.74 C ATOM 475 CE LYS A 29 -4.071 -6.484 9.654 1.00 1.09 C ATOM 476 NZ LYS A 29 -5.227 -5.871 10.357 1.00 1.52 N ATOM 0 H LYS A 29 -4.035 -6.908 5.354 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.523 -9.780 5.675 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -5.134 -9.861 7.561 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -3.614 -9.085 7.958 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -6.004 -7.436 7.116 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -5.847 -8.005 8.766 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -3.386 -6.777 7.650 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -4.744 -5.679 7.791 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -3.868 -7.469 10.075 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -3.181 -5.877 9.818 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -4.884 -5.160 11.034 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -5.853 -5.415 9.663 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -5.754 -6.608 10.867 1.00 1.52 H new ATOM 490 N MET A 30 -6.107 -10.114 5.057 1.00 0.32 N ATOM 491 CA MET A 30 -7.356 -10.252 4.324 1.00 0.27 C ATOM 492 C MET A 30 -8.516 -10.480 5.292 1.00 0.30 C ATOM 493 O MET A 30 -8.661 -11.547 5.887 1.00 0.39 O ATOM 494 CB MET A 30 -7.260 -11.381 3.293 1.00 0.36 C ATOM 495 CG MET A 30 -6.792 -12.698 3.874 1.00 1.00 C ATOM 496 SD MET A 30 -6.792 -14.041 2.672 1.00 1.12 S ATOM 497 CE MET A 30 -6.046 -15.343 3.651 1.00 1.85 C ATOM 0 H MET A 30 -5.817 -10.950 5.564 1.00 0.32 H new ATOM 0 HA MET A 30 -7.546 -9.326 3.781 1.00 0.27 H new ATOM 0 HB2 MET A 30 -8.237 -11.524 2.832 1.00 0.36 H new ATOM 0 HB3 MET A 30 -6.575 -11.080 2.500 1.00 0.36 H new ATOM 0 HG2 MET A 30 -5.785 -12.575 4.272 1.00 1.00 H new ATOM 0 HG3 MET A 30 -7.435 -12.968 4.711 1.00 1.00 H new ATOM 0 HE1 MET A 30 -5.971 -16.251 3.053 1.00 1.85 H new ATOM 0 HE2 MET A 30 -5.050 -15.035 3.968 1.00 1.85 H new ATOM 0 HE3 MET A 30 -6.662 -15.537 4.529 1.00 1.85 H new ATOM 507 N ARG A 31 -9.326 -9.448 5.446 1.00 0.29 N ATOM 508 CA ARG A 31 -10.447 -9.447 6.369 1.00 0.39 C ATOM 509 C ARG A 31 -11.695 -9.985 5.685 1.00 0.42 C ATOM 510 O ARG A 31 -11.699 -10.204 4.471 1.00 0.38 O ATOM 511 CB ARG A 31 -10.712 -8.023 6.860 1.00 0.46 C ATOM 512 CG ARG A 31 -9.656 -7.479 7.808 1.00 0.67 C ATOM 513 CD ARG A 31 -9.899 -6.008 8.107 1.00 0.66 C ATOM 514 NE ARG A 31 -9.136 -5.539 9.261 1.00 0.98 N ATOM 515 CZ ARG A 31 -9.149 -4.278 9.696 1.00 1.28 C ATOM 516 NH1 ARG A 31 -9.853 -3.357 9.047 1.00 1.41 N ATOM 517 NH2 ARG A 31 -8.461 -3.932 10.780 1.00 2.03 N ATOM 0 H ARG A 31 -9.223 -8.576 4.927 1.00 0.29 H new ATOM 0 HA ARG A 31 -10.201 -10.087 7.217 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.783 -7.361 5.997 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.680 -7.999 7.361 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -9.667 -8.049 8.737 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.667 -7.606 7.368 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -9.632 -5.414 7.233 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -10.962 -5.848 8.289 1.00 0.66 H new ATOM 0 HE ARG A 31 -8.560 -6.215 9.763 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -10.384 -3.614 8.215 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -9.862 -2.393 9.381 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -7.918 -4.633 11.285 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -8.476 -2.966 11.107 1.00 2.03 H new ATOM 531 N ASN A 32 -12.751 -10.176 6.469 1.00 0.55 N ATOM 532 CA ASN A 32 -14.023 -10.696 5.968 1.00 0.64 C ATOM 533 C ASN A 32 -13.799 -12.009 5.219 1.00 0.65 C ATOM 534 O ASN A 32 -14.104 -12.125 4.033 1.00 0.66 O ATOM 535 CB ASN A 32 -14.710 -9.666 5.060 1.00 0.64 C ATOM 536 CG ASN A 32 -16.190 -9.950 4.848 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.635 -11.098 4.890 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.962 -8.899 4.632 1.00 0.99 N ATOM 0 H ASN A 32 -12.752 -9.976 7.469 1.00 0.55 H new ATOM 0 HA ASN A 32 -14.677 -10.888 6.818 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.595 -8.673 5.495 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -14.207 -9.650 4.093 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.965 -9.023 4.493 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -16.555 -7.964 4.605 1.00 0.99 H new ATOM 545 N ASN A 33 -13.211 -12.979 5.922 1.00 0.73 N ATOM 546 CA ASN A 33 -12.923 -14.310 5.369 1.00 0.83 C ATOM 547 C ASN A 33 -11.905 -14.248 4.228 1.00 0.78 C ATOM 548 O ASN A 33 -11.589 -15.266 3.611 1.00 1.04 O ATOM 549 CB ASN A 33 -14.207 -15.004 4.892 1.00 0.95 C ATOM 550 CG ASN A 33 -15.203 -15.220 6.013 1.00 1.62 C ATOM 551 OD1 ASN A 33 -15.150 -16.225 6.722 1.00 1.82 O ATOM 552 ND2 ASN A 33 -16.121 -14.281 6.177 1.00 2.33 N ATOM 0 H ASN A 33 -12.919 -12.867 6.893 1.00 0.73 H new ATOM 0 HA ASN A 33 -12.487 -14.897 6.177 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -14.671 -14.404 4.109 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -13.952 -15.966 4.447 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -16.820 -14.375 6.913 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -16.129 -13.464 5.567 1.00 2.33 H new ATOM 559 N GLY A 34 -11.380 -13.062 3.963 1.00 0.55 N ATOM 560 CA GLY A 34 -10.408 -12.903 2.908 1.00 0.52 C ATOM 561 C GLY A 34 -10.995 -12.244 1.677 1.00 0.48 C ATOM 562 O GLY A 34 -10.705 -12.650 0.551 1.00 0.62 O ATOM 0 H GLY A 34 -11.613 -12.204 4.464 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.573 -12.305 3.274 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -10.006 -13.880 2.637 1.00 0.52 H new ATOM 566 N LYS A 35 -11.843 -11.243 1.889 1.00 0.40 N ATOM 567 CA LYS A 35 -12.432 -10.490 0.786 1.00 0.40 C ATOM 568 C LYS A 35 -11.953 -9.044 0.800 1.00 0.28 C ATOM 569 O LYS A 35 -12.077 -8.326 -0.196 1.00 0.28 O ATOM 570 CB LYS A 35 -13.961 -10.515 0.860 1.00 0.52 C ATOM 571 CG LYS A 35 -14.564 -11.900 0.719 1.00 0.67 C ATOM 572 CD LYS A 35 -14.096 -12.584 -0.559 1.00 0.85 C ATOM 573 CE LYS A 35 -14.896 -13.845 -0.849 1.00 1.14 C ATOM 574 NZ LYS A 35 -16.288 -13.533 -1.275 1.00 1.60 N ATOM 0 H LYS A 35 -12.138 -10.934 2.815 1.00 0.40 H new ATOM 0 HA LYS A 35 -12.112 -10.965 -0.141 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.275 -10.089 1.813 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.363 -9.874 0.076 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -14.288 -12.508 1.581 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.651 -11.826 0.716 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -14.190 -11.893 -1.397 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -13.039 -12.836 -0.471 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -14.398 -14.420 -1.630 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -14.921 -14.472 0.042 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -16.724 -14.383 -1.687 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -16.842 -13.224 -0.451 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -16.272 -12.774 -1.985 1.00 1.60 H new ATOM 588 N VAL A 36 -11.421 -8.618 1.937 1.00 0.25 N ATOM 589 CA VAL A 36 -10.953 -7.250 2.096 1.00 0.19 C ATOM 590 C VAL A 36 -9.497 -7.224 2.539 1.00 0.16 C ATOM 591 O VAL A 36 -9.143 -7.781 3.565 1.00 0.22 O ATOM 592 CB VAL A 36 -11.826 -6.492 3.122 1.00 0.24 C ATOM 593 CG1 VAL A 36 -11.235 -5.127 3.441 1.00 0.31 C ATOM 594 CG2 VAL A 36 -13.249 -6.344 2.603 1.00 0.30 C ATOM 0 H VAL A 36 -11.303 -9.202 2.765 1.00 0.25 H new ATOM 0 HA VAL A 36 -11.033 -6.754 1.128 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.847 -7.076 4.042 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.870 -4.616 4.165 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -10.236 -5.252 3.858 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -11.176 -4.534 2.528 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.850 -5.808 3.337 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -13.239 -5.787 1.666 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.679 -7.331 2.433 1.00 0.30 H new ATOM 604 N MET A 37 -8.665 -6.557 1.771 1.00 0.15 N ATOM 605 CA MET A 37 -7.258 -6.446 2.096 1.00 0.18 C ATOM 606 C MET A 37 -7.003 -5.221 2.942 1.00 0.16 C ATOM 607 O MET A 37 -7.174 -4.093 2.495 1.00 0.17 O ATOM 608 CB MET A 37 -6.408 -6.399 0.825 1.00 0.24 C ATOM 609 CG MET A 37 -5.689 -7.705 0.523 1.00 0.51 C ATOM 610 SD MET A 37 -6.807 -9.114 0.391 1.00 1.03 S ATOM 611 CE MET A 37 -5.650 -10.424 0.002 1.00 1.66 C ATOM 0 H MET A 37 -8.939 -6.080 0.912 1.00 0.15 H new ATOM 0 HA MET A 37 -6.973 -7.329 2.668 1.00 0.18 H new ATOM 0 HB2 MET A 37 -7.047 -6.142 -0.020 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.671 -5.602 0.921 1.00 0.24 H new ATOM 0 HG2 MET A 37 -5.134 -7.600 -0.410 1.00 0.51 H new ATOM 0 HG3 MET A 37 -4.959 -7.901 1.308 1.00 0.51 H new ATOM 0 HE1 MET A 37 -6.190 -11.364 -0.111 1.00 1.66 H new ATOM 0 HE2 MET A 37 -5.133 -10.188 -0.928 1.00 1.66 H new ATOM 0 HE3 MET A 37 -4.922 -10.518 0.808 1.00 1.66 H new ATOM 621 N ASP A 38 -6.600 -5.455 4.167 1.00 0.17 N ATOM 622 CA ASP A 38 -6.317 -4.379 5.089 1.00 0.18 C ATOM 623 C ASP A 38 -4.845 -4.022 5.007 1.00 0.18 C ATOM 624 O ASP A 38 -3.985 -4.775 5.457 1.00 0.20 O ATOM 625 CB ASP A 38 -6.712 -4.812 6.500 1.00 0.24 C ATOM 626 CG ASP A 38 -6.552 -3.715 7.540 1.00 0.32 C ATOM 627 OD1 ASP A 38 -6.830 -2.544 7.229 1.00 0.81 O ATOM 628 OD2 ASP A 38 -6.174 -4.035 8.693 1.00 0.97 O ATOM 0 H ASP A 38 -6.459 -6.389 4.552 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.895 -3.492 4.830 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.750 -5.145 6.492 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -6.105 -5.669 6.792 1.00 0.24 H new ATOM 633 N LEU A 39 -4.569 -2.878 4.404 1.00 0.18 N ATOM 634 CA LEU A 39 -3.208 -2.420 4.179 1.00 0.19 C ATOM 635 C LEU A 39 -2.707 -1.739 5.432 1.00 0.20 C ATOM 636 O LEU A 39 -3.109 -0.623 5.751 1.00 0.28 O ATOM 637 CB LEU A 39 -3.143 -1.454 2.979 1.00 0.20 C ATOM 638 CG LEU A 39 -3.187 -2.088 1.585 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.245 -3.175 1.481 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.436 -1.009 0.541 1.00 0.22 C ATOM 0 H LEU A 39 -5.284 -2.239 4.056 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.575 -3.277 3.948 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -3.974 -0.753 3.061 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.225 -0.872 3.060 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.222 -2.562 1.404 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.238 -3.594 0.475 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -4.030 -3.962 2.204 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.226 -2.749 1.690 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.467 -1.462 -0.450 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.387 -0.518 0.745 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.632 -0.274 0.579 1.00 0.22 H new ATOM 652 N VAL A 40 -1.837 -2.417 6.141 1.00 0.17 N ATOM 653 CA VAL A 40 -1.411 -1.968 7.445 1.00 0.20 C ATOM 654 C VAL A 40 0.073 -1.648 7.462 1.00 0.18 C ATOM 655 O VAL A 40 0.905 -2.496 7.147 1.00 0.23 O ATOM 656 CB VAL A 40 -1.717 -3.030 8.521 1.00 0.29 C ATOM 657 CG1 VAL A 40 -1.096 -2.656 9.854 1.00 0.84 C ATOM 658 CG2 VAL A 40 -3.213 -3.208 8.672 1.00 0.88 C ATOM 0 H VAL A 40 -1.407 -3.289 5.834 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.969 -1.059 7.669 1.00 0.20 H new ATOM 0 HB VAL A 40 -1.278 -3.974 8.197 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.329 -3.423 10.592 1.00 0.84 H new ATOM 0 HG12 VAL A 40 -0.015 -2.577 9.742 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.498 -1.699 10.187 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -3.415 -3.960 9.435 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.664 -2.261 8.968 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -3.639 -3.531 7.722 1.00 0.88 H new ATOM 668 N HIS A 41 0.382 -0.407 7.801 1.00 0.16 N ATOM 669 CA HIS A 41 1.746 0.012 8.097 1.00 0.17 C ATOM 670 C HIS A 41 2.580 0.187 6.836 1.00 0.14 C ATOM 671 O HIS A 41 3.154 -0.772 6.317 1.00 0.17 O ATOM 672 CB HIS A 41 2.429 -0.984 9.048 1.00 0.22 C ATOM 673 CG HIS A 41 3.690 -0.479 9.688 1.00 0.42 C ATOM 674 ND1 HIS A 41 3.804 -0.268 11.042 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.905 -0.183 9.162 1.00 0.56 C ATOM 676 CE1 HIS A 41 5.027 0.133 11.325 1.00 1.03 C ATOM 677 NE2 HIS A 41 5.722 0.192 10.203 1.00 0.67 N ATOM 0 H HIS A 41 -0.306 0.342 7.879 1.00 0.16 H new ATOM 0 HA HIS A 41 1.679 0.984 8.586 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.724 -1.257 9.833 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.658 -1.895 8.494 1.00 0.22 H new ATOM 0 HD2 HIS A 41 5.180 -0.233 8.119 1.00 0.56 H new ATOM 0 HE1 HIS A 41 5.399 0.373 12.310 1.00 1.03 H new ATOM 0 HE2 HIS A 41 6.700 0.469 10.122 1.00 0.67 H new ATOM 686 N THR A 42 2.647 1.417 6.359 1.00 0.16 N ATOM 687 CA THR A 42 3.589 1.771 5.320 1.00 0.16 C ATOM 688 C THR A 42 4.885 2.202 5.984 1.00 0.20 C ATOM 689 O THR A 42 4.865 2.912 6.997 1.00 0.31 O ATOM 690 CB THR A 42 3.073 2.913 4.405 1.00 0.20 C ATOM 691 OG1 THR A 42 4.022 3.177 3.369 1.00 0.22 O ATOM 692 CG2 THR A 42 2.827 4.187 5.203 1.00 0.31 C ATOM 0 H THR A 42 2.058 2.187 6.677 1.00 0.16 H new ATOM 0 HA THR A 42 3.736 0.899 4.683 1.00 0.16 H new ATOM 0 HB THR A 42 2.129 2.591 3.965 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.577 3.128 2.497 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.466 4.970 4.536 1.00 0.31 H new ATOM 0 HG22 THR A 42 2.081 3.995 5.974 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.758 4.509 5.670 1.00 0.31 H new ATOM 700 N TYR A 43 6.003 1.750 5.466 1.00 0.22 N ATOM 701 CA TYR A 43 7.272 2.161 6.016 1.00 0.29 C ATOM 702 C TYR A 43 8.267 2.429 4.911 1.00 0.27 C ATOM 703 O TYR A 43 8.276 1.744 3.894 1.00 0.37 O ATOM 704 CB TYR A 43 7.818 1.113 6.982 1.00 0.45 C ATOM 705 CG TYR A 43 8.734 1.713 8.017 1.00 0.74 C ATOM 706 CD1 TYR A 43 8.288 2.761 8.807 1.00 1.15 C ATOM 707 CD2 TYR A 43 10.034 1.255 8.199 1.00 0.94 C ATOM 708 CE1 TYR A 43 9.102 3.336 9.753 1.00 1.53 C ATOM 709 CE2 TYR A 43 10.858 1.825 9.150 1.00 1.34 C ATOM 710 CZ TYR A 43 10.389 2.868 9.921 1.00 1.58 C ATOM 711 OH TYR A 43 11.207 3.439 10.868 1.00 2.02 O ATOM 0 H TYR A 43 6.060 1.107 4.676 1.00 0.22 H new ATOM 0 HA TYR A 43 7.113 3.084 6.574 1.00 0.29 H new ATOM 0 HB2 TYR A 43 6.987 0.614 7.481 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.358 0.350 6.421 1.00 0.45 H new ATOM 0 HD1 TYR A 43 7.282 3.132 8.677 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.404 0.444 7.590 1.00 0.94 H new ATOM 0 HE1 TYR A 43 8.736 4.150 10.362 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.863 1.456 9.289 1.00 1.34 H new ATOM 0 HH TYR A 43 12.079 2.993 10.859 1.00 2.02 H new ATOM 721 N VAL A 44 9.094 3.432 5.125 1.00 0.25 N ATOM 722 CA VAL A 44 10.086 3.831 4.151 1.00 0.28 C ATOM 723 C VAL A 44 11.216 4.590 4.857 1.00 0.34 C ATOM 724 O VAL A 44 10.958 5.460 5.688 1.00 0.36 O ATOM 725 CB VAL A 44 9.445 4.700 3.036 1.00 0.33 C ATOM 726 CG1 VAL A 44 8.868 5.992 3.592 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.442 4.988 1.935 1.00 0.60 C ATOM 0 H VAL A 44 9.097 3.992 5.978 1.00 0.25 H new ATOM 0 HA VAL A 44 10.499 2.941 3.676 1.00 0.28 H new ATOM 0 HB VAL A 44 8.620 4.128 2.611 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.428 6.573 2.781 1.00 0.71 H new ATOM 0 HG12 VAL A 44 8.100 5.760 4.330 1.00 0.71 H new ATOM 0 HG13 VAL A 44 9.661 6.571 4.064 1.00 0.71 H new ATOM 0 HG21 VAL A 44 9.969 5.598 1.166 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.296 5.524 2.349 1.00 0.60 H new ATOM 0 HG23 VAL A 44 10.780 4.049 1.496 1.00 0.60 H new ATOM 737 N PRO A 45 12.480 4.232 4.585 1.00 0.41 N ATOM 738 CA PRO A 45 13.630 4.888 5.210 1.00 0.48 C ATOM 739 C PRO A 45 13.922 6.261 4.608 1.00 0.51 C ATOM 740 O PRO A 45 13.286 6.678 3.634 1.00 0.50 O ATOM 741 CB PRO A 45 14.779 3.922 4.925 1.00 0.61 C ATOM 742 CG PRO A 45 14.394 3.248 3.655 1.00 0.79 C ATOM 743 CD PRO A 45 12.891 3.150 3.673 1.00 0.48 C ATOM 0 HA PRO A 45 13.464 5.079 6.270 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.726 4.451 4.822 1.00 0.61 H new ATOM 0 HB3 PRO A 45 14.903 3.203 5.734 1.00 0.61 H new ATOM 0 HG2 PRO A 45 14.737 3.818 2.792 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.848 2.260 3.585 1.00 0.79 H new ATOM 0 HD2 PRO A 45 12.469 3.284 2.677 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.558 2.176 4.032 1.00 0.48 H new ATOM 751 N SER A 46 14.902 6.944 5.192 1.00 0.63 N ATOM 752 CA SER A 46 15.330 8.268 4.746 1.00 0.77 C ATOM 753 C SER A 46 15.705 8.274 3.263 1.00 0.80 C ATOM 754 O SER A 46 15.646 9.310 2.599 1.00 0.94 O ATOM 755 CB SER A 46 16.523 8.724 5.592 1.00 0.91 C ATOM 756 OG SER A 46 17.049 9.956 5.135 1.00 1.39 O ATOM 0 H SER A 46 15.426 6.593 5.994 1.00 0.63 H new ATOM 0 HA SER A 46 14.496 8.958 4.874 1.00 0.77 H new ATOM 0 HB2 SER A 46 16.214 8.824 6.633 1.00 0.91 H new ATOM 0 HB3 SER A 46 17.302 7.962 5.563 1.00 0.91 H new ATOM 0 HG SER A 46 17.807 10.217 5.698 1.00 1.39 H new ATOM 762 N PHE A 47 16.075 7.110 2.751 1.00 0.75 N ATOM 763 CA PHE A 47 16.491 6.968 1.361 1.00 0.80 C ATOM 764 C PHE A 47 15.365 7.321 0.391 1.00 0.73 C ATOM 765 O PHE A 47 15.612 7.856 -0.689 1.00 0.82 O ATOM 766 CB PHE A 47 16.950 5.536 1.101 1.00 0.83 C ATOM 767 CG PHE A 47 18.180 5.141 1.872 1.00 1.39 C ATOM 768 CD1 PHE A 47 18.080 4.647 3.164 1.00 2.13 C ATOM 769 CD2 PHE A 47 19.437 5.266 1.302 1.00 1.61 C ATOM 770 CE1 PHE A 47 19.211 4.287 3.870 1.00 3.04 C ATOM 771 CE2 PHE A 47 20.570 4.907 2.005 1.00 2.39 C ATOM 772 CZ PHE A 47 20.456 4.417 3.290 1.00 3.12 C ATOM 0 H PHE A 47 16.096 6.240 3.283 1.00 0.75 H new ATOM 0 HA PHE A 47 17.314 7.663 1.192 1.00 0.80 H new ATOM 0 HB2 PHE A 47 16.139 4.853 1.355 1.00 0.83 H new ATOM 0 HB3 PHE A 47 17.147 5.416 0.036 1.00 0.83 H new ATOM 0 HD1 PHE A 47 17.108 4.543 3.623 1.00 2.13 H new ATOM 0 HD2 PHE A 47 19.532 5.649 0.296 1.00 1.61 H new ATOM 0 HE1 PHE A 47 19.121 3.904 4.876 1.00 3.04 H new ATOM 0 HE2 PHE A 47 21.544 5.010 1.550 1.00 2.39 H new ATOM 0 HZ PHE A 47 21.341 4.135 3.841 1.00 3.12 H new ATOM 782 N LYS A 48 14.130 7.028 0.778 1.00 0.61 N ATOM 783 CA LYS A 48 12.998 7.184 -0.127 1.00 0.60 C ATOM 784 C LYS A 48 11.899 8.055 0.479 1.00 0.64 C ATOM 785 O LYS A 48 10.787 8.121 -0.056 1.00 0.78 O ATOM 786 CB LYS A 48 12.407 5.818 -0.462 1.00 0.55 C ATOM 787 CG LYS A 48 13.356 4.846 -1.136 1.00 0.76 C ATOM 788 CD LYS A 48 12.764 3.449 -1.111 1.00 0.81 C ATOM 789 CE LYS A 48 13.415 2.524 -2.121 1.00 0.97 C ATOM 790 NZ LYS A 48 14.858 2.303 -1.848 1.00 1.19 N ATOM 0 H LYS A 48 13.887 6.683 1.707 1.00 0.61 H new ATOM 0 HA LYS A 48 13.371 7.672 -1.028 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.042 5.363 0.459 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.543 5.964 -1.110 1.00 0.55 H new ATOM 0 HG2 LYS A 48 13.538 5.156 -2.165 1.00 0.76 H new ATOM 0 HG3 LYS A 48 14.320 4.852 -0.626 1.00 0.76 H new ATOM 0 HD2 LYS A 48 12.877 3.028 -0.112 1.00 0.81 H new ATOM 0 HD3 LYS A 48 11.695 3.507 -1.313 1.00 0.81 H new ATOM 0 HE2 LYS A 48 12.897 1.565 -2.116 1.00 0.97 H new ATOM 0 HE3 LYS A 48 13.298 2.944 -3.120 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 15.284 1.777 -2.638 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 15.336 3.221 -1.745 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 14.965 1.756 -0.970 1.00 1.19 H new ATOM 804 N ARG A 49 12.205 8.716 1.585 1.00 0.73 N ATOM 805 CA ARG A 49 11.208 9.523 2.282 1.00 0.84 C ATOM 806 C ARG A 49 10.802 10.731 1.443 1.00 0.91 C ATOM 807 O ARG A 49 11.647 11.488 0.966 1.00 1.75 O ATOM 808 CB ARG A 49 11.727 9.975 3.651 1.00 1.03 C ATOM 809 CG ARG A 49 13.000 10.803 3.587 1.00 1.35 C ATOM 810 CD ARG A 49 13.349 11.386 4.946 1.00 1.45 C ATOM 811 NE ARG A 49 14.533 12.240 4.887 1.00 1.92 N ATOM 812 CZ ARG A 49 15.369 12.425 5.908 1.00 2.48 C ATOM 813 NH1 ARG A 49 15.116 11.868 7.088 1.00 2.70 N ATOM 814 NH2 ARG A 49 16.443 13.189 5.758 1.00 3.23 N ATOM 0 H ARG A 49 13.128 8.712 2.019 1.00 0.73 H new ATOM 0 HA ARG A 49 10.327 8.900 2.438 1.00 0.84 H new ATOM 0 HB2 ARG A 49 10.951 10.558 4.148 1.00 1.03 H new ATOM 0 HB3 ARG A 49 11.909 9.095 4.268 1.00 1.03 H new ATOM 0 HG2 ARG A 49 13.823 10.182 3.233 1.00 1.35 H new ATOM 0 HG3 ARG A 49 12.876 11.609 2.864 1.00 1.35 H new ATOM 0 HD2 ARG A 49 12.504 11.963 5.321 1.00 1.45 H new ATOM 0 HD3 ARG A 49 13.521 10.576 5.655 1.00 1.45 H new ATOM 0 HE ARG A 49 14.732 12.724 4.011 1.00 1.92 H new ATOM 0 HH11 ARG A 49 14.280 11.297 7.214 1.00 2.70 H new ATOM 0 HH12 ARG A 49 15.758 12.011 7.868 1.00 2.70 H new ATOM 0 HH21 ARG A 49 16.630 13.636 4.860 1.00 3.23 H new ATOM 0 HH22 ARG A 49 17.082 13.330 6.540 1.00 3.23 H new ATOM 828 N GLY A 50 9.502 10.889 1.244 1.00 1.00 N ATOM 829 CA GLY A 50 8.998 12.014 0.485 1.00 1.07 C ATOM 830 C GLY A 50 9.034 11.784 -1.015 1.00 0.98 C ATOM 831 O GLY A 50 8.490 12.580 -1.784 1.00 1.12 O ATOM 0 H GLY A 50 8.785 10.255 1.596 1.00 1.00 H new ATOM 0 HA2 GLY A 50 7.972 12.220 0.790 1.00 1.07 H new ATOM 0 HA3 GLY A 50 9.586 12.900 0.725 1.00 1.07 H new ATOM 835 N LEU A 51 9.664 10.696 -1.444 1.00 0.81 N ATOM 836 CA LEU A 51 9.773 10.410 -2.869 1.00 0.81 C ATOM 837 C LEU A 51 8.487 9.802 -3.402 1.00 0.71 C ATOM 838 O LEU A 51 8.096 10.064 -4.539 1.00 0.88 O ATOM 839 CB LEU A 51 10.943 9.468 -3.161 1.00 0.82 C ATOM 840 CG LEU A 51 12.326 9.989 -2.751 1.00 1.11 C ATOM 841 CD1 LEU A 51 13.414 9.044 -3.238 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.563 11.387 -3.302 1.00 1.95 C ATOM 0 H LEU A 51 10.102 10.006 -0.834 1.00 0.81 H new ATOM 0 HA LEU A 51 9.954 11.359 -3.374 1.00 0.81 H new ATOM 0 HB2 LEU A 51 10.763 8.523 -2.648 1.00 0.82 H new ATOM 0 HB3 LEU A 51 10.957 9.253 -4.230 1.00 0.82 H new ATOM 0 HG LEU A 51 12.361 10.037 -1.663 1.00 1.11 H new ATOM 0 HD11 LEU A 51 14.390 9.428 -2.939 1.00 1.46 H new ATOM 0 HD12 LEU A 51 13.262 8.058 -2.800 1.00 1.46 H new ATOM 0 HD13 LEU A 51 13.371 8.969 -4.325 1.00 1.46 H new ATOM 0 HD21 LEU A 51 13.550 11.735 -2.998 1.00 1.95 H new ATOM 0 HD22 LEU A 51 12.505 11.364 -4.390 1.00 1.95 H new ATOM 0 HD23 LEU A 51 11.803 12.065 -2.913 1.00 1.95 H new ATOM 854 N GLY A 52 7.820 8.995 -2.585 1.00 0.52 N ATOM 855 CA GLY A 52 6.621 8.337 -3.056 1.00 0.43 C ATOM 856 C GLY A 52 6.559 6.865 -2.697 1.00 0.32 C ATOM 857 O GLY A 52 5.476 6.292 -2.622 1.00 0.28 O ATOM 0 H GLY A 52 8.084 8.788 -1.622 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.750 8.842 -2.637 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.560 8.442 -4.139 1.00 0.43 H new ATOM 861 N LEU A 53 7.724 6.252 -2.491 1.00 0.31 N ATOM 862 CA LEU A 53 7.836 4.797 -2.354 1.00 0.27 C ATOM 863 C LEU A 53 6.882 4.228 -1.296 1.00 0.20 C ATOM 864 O LEU A 53 6.314 3.156 -1.494 1.00 0.20 O ATOM 865 CB LEU A 53 9.288 4.418 -2.028 1.00 0.29 C ATOM 866 CG LEU A 53 9.664 2.946 -2.252 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.294 2.089 -1.051 1.00 0.55 C ATOM 868 CD2 LEU A 53 8.990 2.411 -3.504 1.00 0.67 C ATOM 0 H LEU A 53 8.614 6.745 -2.414 1.00 0.31 H new ATOM 0 HA LEU A 53 7.545 4.355 -3.307 1.00 0.27 H new ATOM 0 HB2 LEU A 53 9.949 5.038 -2.633 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.483 4.668 -0.985 1.00 0.29 H new ATOM 0 HG LEU A 53 10.745 2.896 -2.381 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.574 1.053 -1.243 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.823 2.450 -0.169 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.219 2.149 -0.879 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.267 1.367 -3.648 1.00 0.67 H new ATOM 0 HD22 LEU A 53 7.908 2.488 -3.396 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.311 2.994 -4.367 1.00 0.67 H new ATOM 880 N ALA A 54 6.699 4.944 -0.192 1.00 0.19 N ATOM 881 CA ALA A 54 5.777 4.508 0.856 1.00 0.17 C ATOM 882 C ALA A 54 4.368 4.311 0.294 1.00 0.15 C ATOM 883 O ALA A 54 3.705 3.306 0.562 1.00 0.15 O ATOM 884 CB ALA A 54 5.762 5.517 1.992 1.00 0.24 C ATOM 0 H ALA A 54 7.174 5.826 0.002 1.00 0.19 H new ATOM 0 HA ALA A 54 6.123 3.549 1.243 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.072 5.182 2.767 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.764 5.607 2.412 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.439 6.487 1.613 1.00 0.24 H new ATOM 890 N SER A 55 3.921 5.283 -0.483 1.00 0.17 N ATOM 891 CA SER A 55 2.641 5.210 -1.159 1.00 0.21 C ATOM 892 C SER A 55 2.654 4.134 -2.246 1.00 0.21 C ATOM 893 O SER A 55 1.638 3.491 -2.493 1.00 0.25 O ATOM 894 CB SER A 55 2.313 6.573 -1.766 1.00 0.28 C ATOM 895 OG SER A 55 2.459 7.602 -0.800 1.00 1.08 O ATOM 0 H SER A 55 4.437 6.145 -0.662 1.00 0.17 H new ATOM 0 HA SER A 55 1.875 4.939 -0.433 1.00 0.21 H new ATOM 0 HB2 SER A 55 2.971 6.767 -2.613 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.293 6.570 -2.149 1.00 0.28 H new ATOM 0 HG SER A 55 2.246 8.467 -1.209 1.00 1.08 H new ATOM 901 N HIS A 56 3.809 3.932 -2.885 1.00 0.21 N ATOM 902 CA HIS A 56 3.949 2.886 -3.905 1.00 0.23 C ATOM 903 C HIS A 56 3.660 1.516 -3.312 1.00 0.20 C ATOM 904 O HIS A 56 3.127 0.635 -3.987 1.00 0.23 O ATOM 905 CB HIS A 56 5.349 2.876 -4.537 1.00 0.29 C ATOM 906 CG HIS A 56 5.540 3.888 -5.621 1.00 0.45 C ATOM 907 ND1 HIS A 56 5.005 3.747 -6.882 1.00 0.79 N ATOM 908 CD2 HIS A 56 6.228 5.051 -5.636 1.00 0.70 C ATOM 909 CE1 HIS A 56 5.357 4.780 -7.625 1.00 0.99 C ATOM 910 NE2 HIS A 56 6.097 5.583 -6.889 1.00 0.93 N ATOM 0 H HIS A 56 4.656 4.474 -2.717 1.00 0.21 H new ATOM 0 HA HIS A 56 3.223 3.112 -4.686 1.00 0.23 H new ATOM 0 HB2 HIS A 56 6.089 3.052 -3.756 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.545 1.884 -4.943 1.00 0.29 H new ATOM 0 HD2 HIS A 56 6.779 5.480 -4.812 1.00 0.70 H new ATOM 0 HE1 HIS A 56 5.085 4.939 -8.658 1.00 0.99 H new ATOM 0 HE2 HIS A 56 6.507 6.462 -7.204 1.00 0.93 H new ATOM 919 N LEU A 57 4.018 1.345 -2.046 1.00 0.15 N ATOM 920 CA LEU A 57 3.753 0.100 -1.339 1.00 0.13 C ATOM 921 C LEU A 57 2.250 -0.086 -1.166 1.00 0.13 C ATOM 922 O LEU A 57 1.720 -1.183 -1.342 1.00 0.15 O ATOM 923 CB LEU A 57 4.458 0.109 0.020 1.00 0.14 C ATOM 924 CG LEU A 57 5.980 0.259 -0.044 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.535 0.623 1.320 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.622 -1.024 -0.553 1.00 0.22 C ATOM 0 H LEU A 57 4.493 2.054 -1.488 1.00 0.15 H new ATOM 0 HA LEU A 57 4.141 -0.735 -1.922 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.052 0.925 0.618 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.221 -0.818 0.542 1.00 0.14 H new ATOM 0 HG LEU A 57 6.217 1.063 -0.740 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.618 0.726 1.256 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.100 1.566 1.650 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.286 -0.161 2.035 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.704 -0.899 -0.592 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.376 -1.846 0.119 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.247 -1.247 -1.552 1.00 0.22 H new ATOM 938 N CYS A 58 1.568 1.005 -0.840 1.00 0.16 N ATOM 939 CA CYS A 58 0.115 0.999 -0.726 1.00 0.19 C ATOM 940 C CYS A 58 -0.524 0.720 -2.082 1.00 0.19 C ATOM 941 O CYS A 58 -1.482 -0.046 -2.185 1.00 0.20 O ATOM 942 CB CYS A 58 -0.381 2.340 -0.178 1.00 0.23 C ATOM 943 SG CYS A 58 -2.162 2.403 0.125 1.00 0.27 S ATOM 0 H CYS A 58 2.000 1.909 -0.649 1.00 0.16 H new ATOM 0 HA CYS A 58 -0.173 0.208 -0.034 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.143 2.555 0.753 1.00 0.23 H new ATOM 0 HB3 CYS A 58 -0.115 3.128 -0.882 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.795 2.411 -1.010 1.00 0.27 H new ATOM 949 N VAL A 59 0.021 1.346 -3.117 1.00 0.19 N ATOM 950 CA VAL A 59 -0.472 1.168 -4.474 1.00 0.22 C ATOM 951 C VAL A 59 -0.295 -0.272 -4.937 1.00 0.20 C ATOM 952 O VAL A 59 -1.159 -0.820 -5.613 1.00 0.22 O ATOM 953 CB VAL A 59 0.240 2.120 -5.460 1.00 0.25 C ATOM 954 CG1 VAL A 59 -0.172 1.838 -6.899 1.00 0.29 C ATOM 955 CG2 VAL A 59 -0.059 3.563 -5.105 1.00 0.29 C ATOM 0 H VAL A 59 0.811 1.986 -3.040 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.535 1.408 -4.463 1.00 0.22 H new ATOM 0 HB VAL A 59 1.313 1.946 -5.377 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.347 2.525 -7.567 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.090 0.812 -7.158 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -1.248 1.975 -7.003 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.449 4.223 -5.808 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -1.134 3.735 -5.157 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.293 3.769 -4.094 1.00 0.29 H new ATOM 965 N ALA A 60 0.815 -0.888 -4.555 1.00 0.18 N ATOM 966 CA ALA A 60 1.083 -2.265 -4.939 1.00 0.21 C ATOM 967 C ALA A 60 0.040 -3.209 -4.354 1.00 0.17 C ATOM 968 O ALA A 60 -0.332 -4.199 -4.985 1.00 0.17 O ATOM 969 CB ALA A 60 2.484 -2.680 -4.513 1.00 0.28 C ATOM 0 H ALA A 60 1.541 -0.458 -3.982 1.00 0.18 H new ATOM 0 HA ALA A 60 1.023 -2.329 -6.025 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.663 -3.713 -4.810 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.217 -2.032 -4.993 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.576 -2.592 -3.430 1.00 0.28 H new ATOM 975 N ALA A 61 -0.453 -2.905 -3.152 1.00 0.16 N ATOM 976 CA ALA A 61 -1.517 -3.696 -2.573 1.00 0.16 C ATOM 977 C ALA A 61 -2.803 -3.469 -3.348 1.00 0.14 C ATOM 978 O ALA A 61 -3.589 -4.397 -3.555 1.00 0.15 O ATOM 979 CB ALA A 61 -1.692 -3.359 -1.108 1.00 0.20 C ATOM 0 H ALA A 61 -0.132 -2.127 -2.575 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.256 -4.752 -2.639 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.497 -3.964 -0.689 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.765 -3.568 -0.573 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -1.940 -2.303 -1.005 1.00 0.20 H new ATOM 985 N PHE A 62 -2.998 -2.229 -3.798 1.00 0.14 N ATOM 986 CA PHE A 62 -4.114 -1.905 -4.671 1.00 0.15 C ATOM 987 C PHE A 62 -4.028 -2.718 -5.954 1.00 0.15 C ATOM 988 O PHE A 62 -5.002 -3.348 -6.361 1.00 0.16 O ATOM 989 CB PHE A 62 -4.144 -0.414 -5.030 1.00 0.17 C ATOM 990 CG PHE A 62 -4.582 0.512 -3.924 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.709 0.227 -3.162 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.851 1.648 -3.628 1.00 0.20 C ATOM 993 CE1 PHE A 62 -6.100 1.065 -2.129 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.238 2.491 -2.600 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.419 2.242 -1.910 1.00 0.24 C ATOM 0 H PHE A 62 -2.396 -1.438 -3.570 1.00 0.14 H new ATOM 0 HA PHE A 62 -5.028 -2.149 -4.130 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -3.147 -0.117 -5.356 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.811 -0.277 -5.881 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.288 -0.659 -3.377 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.968 1.880 -4.205 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -6.935 0.796 -1.499 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.624 3.339 -2.335 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.800 2.967 -1.206 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.849 -2.700 -6.575 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.600 -3.437 -7.812 1.00 0.19 C ATOM 1007 C GLU A 63 -2.960 -4.905 -7.648 1.00 0.19 C ATOM 1008 O GLU A 63 -3.522 -5.525 -8.550 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.126 -3.336 -8.219 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.620 -1.913 -8.402 1.00 0.29 C ATOM 1011 CD GLU A 63 0.798 -1.862 -8.934 1.00 1.16 C ATOM 1012 OE1 GLU A 63 1.056 -2.447 -10.006 1.00 1.58 O ATOM 1013 OE2 GLU A 63 1.658 -1.225 -8.292 1.00 1.98 O ATOM 0 H GLU A 63 -2.043 -2.176 -6.236 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.224 -2.992 -8.587 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.518 -3.830 -7.461 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -0.981 -3.883 -9.151 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.280 -1.382 -9.087 1.00 0.29 H new ATOM 0 HG3 GLU A 63 -0.665 -1.390 -7.447 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.648 -5.446 -6.481 1.00 0.17 N ATOM 1021 CA HIS A 64 -2.843 -6.861 -6.217 1.00 0.19 C ATOM 1022 C HIS A 64 -4.323 -7.181 -6.040 1.00 0.19 C ATOM 1023 O HIS A 64 -4.851 -8.104 -6.663 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.056 -7.265 -4.967 1.00 0.20 C ATOM 1025 CG HIS A 64 -1.987 -8.742 -4.731 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -1.019 -9.545 -5.284 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -2.769 -9.559 -3.988 1.00 1.13 C ATOM 1028 CE1 HIS A 64 -1.205 -10.790 -4.893 1.00 1.68 C ATOM 1029 NE2 HIS A 64 -2.263 -10.830 -4.105 1.00 1.33 N ATOM 0 H HIS A 64 -2.257 -4.922 -5.698 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.476 -7.430 -7.071 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -1.042 -6.875 -5.049 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.511 -6.791 -4.097 1.00 0.20 H new ATOM 0 HD2 HIS A 64 -3.632 -9.265 -3.409 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -0.594 -11.636 -5.171 1.00 1.68 H new ATOM 0 HE2 HIS A 64 -2.641 -11.665 -3.658 1.00 1.33 H new ATOM 1038 N ALA A 65 -4.991 -6.410 -5.196 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.391 -6.655 -4.906 1.00 0.16 C ATOM 1040 C ALA A 65 -7.269 -6.357 -6.114 1.00 0.15 C ATOM 1041 O ALA A 65 -8.094 -7.183 -6.492 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.839 -5.845 -3.713 1.00 0.20 C ATOM 0 H ALA A 65 -4.587 -5.614 -4.703 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.499 -7.713 -4.667 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -7.892 -6.044 -3.513 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.245 -6.122 -2.842 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.703 -4.784 -3.922 1.00 0.20 H new ATOM 1048 N SER A 66 -7.095 -5.180 -6.717 1.00 0.16 N ATOM 1049 CA SER A 66 -7.866 -4.812 -7.912 1.00 0.20 C ATOM 1050 C SER A 66 -7.739 -5.876 -9.006 1.00 0.24 C ATOM 1051 O SER A 66 -8.706 -6.181 -9.705 1.00 0.31 O ATOM 1052 CB SER A 66 -7.418 -3.446 -8.447 1.00 0.24 C ATOM 1053 OG SER A 66 -6.033 -3.440 -8.750 1.00 1.21 O ATOM 0 H SER A 66 -6.434 -4.469 -6.404 1.00 0.16 H new ATOM 0 HA SER A 66 -8.915 -4.748 -7.621 1.00 0.20 H new ATOM 0 HB2 SER A 66 -7.989 -3.198 -9.342 1.00 0.24 H new ATOM 0 HB3 SER A 66 -7.634 -2.675 -7.708 1.00 0.24 H new ATOM 0 HG SER A 66 -5.538 -3.033 -8.009 1.00 1.21 H new ATOM 1059 N SER A 67 -6.551 -6.456 -9.125 1.00 0.25 N ATOM 1060 CA SER A 67 -6.291 -7.482 -10.123 1.00 0.33 C ATOM 1061 C SER A 67 -7.125 -8.736 -9.849 1.00 0.34 C ATOM 1062 O SER A 67 -7.552 -9.425 -10.777 1.00 0.44 O ATOM 1063 CB SER A 67 -4.797 -7.829 -10.133 1.00 0.39 C ATOM 1064 OG SER A 67 -4.474 -8.732 -11.176 1.00 1.20 O ATOM 0 H SER A 67 -5.748 -6.230 -8.538 1.00 0.25 H new ATOM 0 HA SER A 67 -6.576 -7.094 -11.101 1.00 0.33 H new ATOM 0 HB2 SER A 67 -4.213 -6.916 -10.248 1.00 0.39 H new ATOM 0 HB3 SER A 67 -4.519 -8.267 -9.174 1.00 0.39 H new ATOM 0 HG SER A 67 -3.514 -8.929 -11.153 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.381 -9.010 -8.575 1.00 0.29 N ATOM 1071 CA HIS A 68 -8.076 -10.231 -8.185 1.00 0.35 C ATOM 1072 C HIS A 68 -9.519 -9.936 -7.752 1.00 0.37 C ATOM 1073 O HIS A 68 -10.199 -10.808 -7.216 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.300 -10.913 -7.051 1.00 0.37 C ATOM 1075 CG HIS A 68 -7.645 -12.359 -6.845 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -7.126 -13.369 -7.623 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -8.446 -12.963 -5.934 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -7.588 -14.530 -7.202 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -8.390 -14.311 -6.179 1.00 0.82 N ATOM 0 H HIS A 68 -7.119 -8.405 -7.797 1.00 0.29 H new ATOM 0 HA HIS A 68 -8.125 -10.899 -9.045 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.233 -10.833 -7.258 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.486 -10.372 -6.123 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -9.020 -12.475 -5.161 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -7.350 -15.496 -7.623 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -8.889 -15.029 -5.654 1.00 0.82 H new ATOM 1088 N SER A 69 -9.975 -8.704 -7.997 1.00 0.33 N ATOM 1089 CA SER A 69 -11.333 -8.279 -7.633 1.00 0.37 C ATOM 1090 C SER A 69 -11.533 -8.286 -6.114 1.00 0.34 C ATOM 1091 O SER A 69 -12.617 -8.597 -5.618 1.00 0.54 O ATOM 1092 CB SER A 69 -12.378 -9.181 -8.301 1.00 0.47 C ATOM 1093 OG SER A 69 -12.227 -9.192 -9.713 1.00 1.12 O ATOM 0 H SER A 69 -9.420 -7.978 -8.449 1.00 0.33 H new ATOM 0 HA SER A 69 -11.463 -7.257 -7.990 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.284 -10.196 -7.916 1.00 0.47 H new ATOM 0 HB3 SER A 69 -13.379 -8.834 -8.043 1.00 0.47 H new ATOM 0 HG SER A 69 -12.906 -9.777 -10.110 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.490 -7.920 -5.385 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.542 -7.898 -3.930 1.00 0.21 C ATOM 1101 C ILE A 70 -10.793 -6.473 -3.426 1.00 0.19 C ATOM 1102 O ILE A 70 -10.434 -5.502 -4.094 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.223 -8.438 -3.322 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -8.859 -9.789 -3.944 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.339 -8.576 -1.810 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -7.539 -10.344 -3.452 1.00 0.36 C ATOM 0 H ILE A 70 -9.594 -7.633 -5.778 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.363 -8.541 -3.614 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.432 -7.722 -3.545 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -9.650 -10.506 -3.725 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -8.818 -9.682 -5.028 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.401 -8.957 -1.406 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.554 -7.602 -1.371 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.145 -9.269 -1.569 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.345 -11.302 -3.934 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -6.738 -9.646 -3.695 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -7.583 -10.484 -2.372 1.00 0.36 H new ATOM 1118 N SER A 71 -11.412 -6.358 -2.256 1.00 0.19 N ATOM 1119 CA SER A 71 -11.656 -5.065 -1.634 1.00 0.19 C ATOM 1120 C SER A 71 -10.485 -4.741 -0.709 1.00 0.17 C ATOM 1121 O SER A 71 -9.676 -5.614 -0.417 1.00 0.19 O ATOM 1122 CB SER A 71 -12.978 -5.100 -0.856 1.00 0.23 C ATOM 1123 OG SER A 71 -13.318 -3.823 -0.339 1.00 1.01 O ATOM 0 H SER A 71 -11.756 -7.153 -1.717 1.00 0.19 H new ATOM 0 HA SER A 71 -11.737 -4.289 -2.395 1.00 0.19 H new ATOM 0 HB2 SER A 71 -13.776 -5.452 -1.510 1.00 0.23 H new ATOM 0 HB3 SER A 71 -12.899 -5.815 -0.037 1.00 0.23 H new ATOM 0 HG SER A 71 -13.096 -3.133 -0.999 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.373 -3.493 -0.269 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.222 -3.058 0.516 1.00 0.14 C ATOM 1131 C ILE A 72 -9.628 -2.045 1.598 1.00 0.14 C ATOM 1132 O ILE A 72 -10.637 -1.352 1.472 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.140 -2.427 -0.415 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.541 -3.479 -1.349 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -7.032 -1.741 0.374 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.317 -2.993 -2.092 1.00 0.20 C ATOM 0 H ILE A 72 -11.065 -2.764 -0.442 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.809 -3.937 1.010 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.644 -1.667 -1.011 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.277 -4.363 -0.768 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.297 -3.786 -2.071 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.303 -1.317 -0.316 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.459 -0.945 0.984 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.540 -2.469 1.019 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.943 -3.788 -2.737 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.580 -2.127 -2.700 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.544 -2.713 -1.376 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.840 -2.003 2.666 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.954 -1.011 3.730 1.00 0.13 C ATOM 1150 C ILE A 73 -7.546 -0.591 4.146 1.00 0.13 C ATOM 1151 O ILE A 73 -6.766 -1.413 4.601 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.702 -1.582 4.958 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.197 -1.717 4.657 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.469 -0.718 6.193 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.883 -0.399 4.362 1.00 0.24 C ATOM 0 H ILE A 73 -8.086 -2.673 2.820 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.523 -0.159 3.359 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.304 -2.574 5.169 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.328 -2.383 3.804 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.688 -2.189 5.508 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -10.006 -1.143 7.041 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.403 -0.685 6.418 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.831 0.293 6.004 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.939 -0.576 4.159 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.785 0.263 5.223 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.419 0.066 3.492 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.178 0.677 3.950 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.831 1.151 4.217 1.00 0.18 C ATOM 1169 C PRO A 74 -5.643 1.795 5.598 1.00 0.17 C ATOM 1170 O PRO A 74 -6.112 2.908 5.847 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.629 2.186 3.107 1.00 0.23 C ATOM 1172 CG PRO A 74 -7.008 2.574 2.633 1.00 0.31 C ATOM 1173 CD PRO A 74 -8.006 1.748 3.409 1.00 0.23 C ATOM 0 HA PRO A 74 -5.113 0.331 4.227 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -5.087 3.055 3.480 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -5.040 1.770 2.290 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -7.183 3.638 2.794 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -7.110 2.393 1.563 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.486 2.327 4.198 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.799 1.363 2.768 1.00 0.23 H new ATOM 1181 N SER A 75 -4.959 1.078 6.490 1.00 0.16 N ATOM 1182 CA SER A 75 -4.493 1.640 7.759 1.00 0.17 C ATOM 1183 C SER A 75 -3.259 2.507 7.497 1.00 0.16 C ATOM 1184 O SER A 75 -2.874 3.354 8.303 1.00 0.20 O ATOM 1185 CB SER A 75 -4.160 0.515 8.746 1.00 0.20 C ATOM 1186 OG SER A 75 -3.822 1.030 10.023 1.00 1.19 O ATOM 0 H SER A 75 -4.713 0.097 6.355 1.00 0.16 H new ATOM 0 HA SER A 75 -5.279 2.254 8.198 1.00 0.17 H new ATOM 0 HB2 SER A 75 -5.014 -0.156 8.837 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.330 -0.076 8.359 1.00 0.20 H new ATOM 0 HG SER A 75 -3.616 0.289 10.631 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.656 2.264 6.339 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.586 3.083 5.753 1.00 0.17 C ATOM 1194 C CYS A 76 -2.048 4.520 5.457 1.00 0.16 C ATOM 1195 O CYS A 76 -1.451 5.199 4.626 1.00 0.20 O ATOM 1196 CB CYS A 76 -1.015 2.418 4.501 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.527 0.707 4.768 1.00 0.90 S ATOM 0 H CYS A 76 -2.903 1.464 5.757 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.792 3.154 6.496 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -1.759 2.457 3.705 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.151 2.986 4.158 1.00 0.25 H new ATOM 0 HG CYS A 76 0.763 0.642 4.917 1.00 0.90 H new ATOM 1203 N SER A 77 -3.174 4.913 6.058 1.00 0.20 N ATOM 1204 CA SER A 77 -3.931 6.122 5.722 1.00 0.25 C ATOM 1205 C SER A 77 -3.093 7.409 5.611 1.00 0.24 C ATOM 1206 O SER A 77 -3.627 8.440 5.206 1.00 0.26 O ATOM 1207 CB SER A 77 -5.005 6.330 6.787 1.00 0.34 C ATOM 1208 OG SER A 77 -5.520 5.087 7.244 1.00 0.71 O ATOM 0 H SER A 77 -3.598 4.380 6.818 1.00 0.20 H new ATOM 0 HA SER A 77 -4.346 5.951 4.729 1.00 0.25 H new ATOM 0 HB2 SER A 77 -4.586 6.884 7.627 1.00 0.34 H new ATOM 0 HB3 SER A 77 -5.815 6.934 6.378 1.00 0.34 H new ATOM 0 HG SER A 77 -5.649 4.486 6.481 1.00 0.71 H new ATOM 1214 N TYR A 78 -1.807 7.373 5.952 1.00 0.23 N ATOM 1215 CA TYR A 78 -0.904 8.445 5.548 1.00 0.24 C ATOM 1216 C TYR A 78 -0.962 8.562 4.026 1.00 0.20 C ATOM 1217 O TYR A 78 -1.110 9.651 3.474 1.00 0.21 O ATOM 1218 CB TYR A 78 0.539 8.160 6.012 1.00 0.27 C ATOM 1219 CG TYR A 78 1.598 8.448 4.958 1.00 0.24 C ATOM 1220 CD1 TYR A 78 2.050 9.740 4.716 1.00 0.24 C ATOM 1221 CD2 TYR A 78 2.126 7.417 4.189 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.992 9.993 3.734 1.00 0.25 C ATOM 1223 CE2 TYR A 78 3.069 7.660 3.212 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.500 8.948 2.986 1.00 0.25 C ATOM 1225 OH TYR A 78 4.431 9.192 2.002 1.00 0.30 O ATOM 0 H TYR A 78 -1.374 6.628 6.497 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.213 9.381 6.013 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.750 8.760 6.897 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.614 7.114 6.311 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.660 10.559 5.303 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.791 6.405 4.360 1.00 0.26 H new ATOM 0 HE1 TYR A 78 3.329 11.003 3.553 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.467 6.844 2.627 1.00 0.27 H new ATOM 0 HH TYR A 78 4.965 9.977 2.245 1.00 0.30 H new ATOM 1235 N VAL A 79 -0.877 7.413 3.366 1.00 0.18 N ATOM 1236 CA VAL A 79 -1.023 7.329 1.928 1.00 0.17 C ATOM 1237 C VAL A 79 -2.443 7.688 1.537 1.00 0.18 C ATOM 1238 O VAL A 79 -2.670 8.465 0.621 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.721 5.906 1.410 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.876 5.835 -0.100 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.669 5.458 1.830 1.00 0.18 C ATOM 0 H VAL A 79 -0.705 6.515 3.819 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.312 8.025 1.484 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.445 5.225 1.858 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.658 4.823 -0.441 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.898 6.098 -0.374 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.183 6.533 -0.570 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.857 4.453 1.453 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.411 6.144 1.421 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.737 5.456 2.918 1.00 0.18 H new ATOM 1251 N SER A 80 -3.395 7.128 2.260 1.00 0.20 N ATOM 1252 CA SER A 80 -4.804 7.317 1.941 1.00 0.25 C ATOM 1253 C SER A 80 -5.181 8.797 1.908 1.00 0.23 C ATOM 1254 O SER A 80 -5.849 9.260 0.986 1.00 0.23 O ATOM 1255 CB SER A 80 -5.664 6.585 2.965 1.00 0.36 C ATOM 1256 OG SER A 80 -5.216 5.254 3.131 1.00 0.99 O ATOM 0 H SER A 80 -3.221 6.538 3.073 1.00 0.20 H new ATOM 0 HA SER A 80 -4.983 6.907 0.947 1.00 0.25 H new ATOM 0 HB2 SER A 80 -5.627 7.109 3.920 1.00 0.36 H new ATOM 0 HB3 SER A 80 -6.705 6.586 2.641 1.00 0.36 H new ATOM 0 HG SER A 80 -5.121 4.829 2.253 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.707 9.530 2.897 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.096 10.919 3.089 1.00 0.25 C ATOM 1264 C ASP A 81 -4.554 11.818 1.983 1.00 0.25 C ATOM 1265 O ASP A 81 -5.281 12.635 1.425 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.604 11.410 4.454 1.00 0.31 C ATOM 1267 CG ASP A 81 -4.820 12.893 4.661 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -5.937 13.290 5.046 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -3.863 13.671 4.458 1.00 0.47 O ATOM 0 H ASP A 81 -4.043 9.183 3.590 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.184 10.970 3.050 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -5.121 10.860 5.240 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.542 11.186 4.554 1.00 0.31 H new ATOM 1274 N THR A 82 -3.271 11.691 1.699 1.00 0.23 N ATOM 1275 CA THR A 82 -2.636 12.522 0.681 1.00 0.25 C ATOM 1276 C THR A 82 -2.730 11.900 -0.721 1.00 0.22 C ATOM 1277 O THR A 82 -3.162 12.549 -1.676 1.00 0.23 O ATOM 1278 CB THR A 82 -1.158 12.845 1.032 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.580 13.687 0.027 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.316 11.585 1.174 1.00 0.26 C ATOM 0 H THR A 82 -2.647 11.025 2.154 1.00 0.23 H new ATOM 0 HA THR A 82 -3.193 13.459 0.667 1.00 0.25 H new ATOM 0 HB THR A 82 -1.164 13.361 1.992 1.00 0.28 H new ATOM 0 HG1 THR A 82 0.291 14.014 0.335 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.710 11.859 1.420 1.00 0.26 H new ATOM 0 HG22 THR A 82 -0.725 10.961 1.969 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.329 11.031 0.235 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.337 10.634 -0.833 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.138 9.997 -2.127 1.00 0.19 C ATOM 1290 C PHE A 83 -3.443 9.667 -2.830 1.00 0.19 C ATOM 1291 O PHE A 83 -3.542 9.808 -4.046 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.323 8.723 -1.968 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.570 8.356 -3.209 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.384 9.208 -3.737 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.806 7.146 -3.837 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.087 8.857 -4.872 1.00 1.50 C ATOM 1297 CE2 PHE A 83 -0.103 6.789 -4.968 1.00 2.25 C ATOM 1298 CZ PHE A 83 0.804 7.711 -5.529 1.00 2.24 C ATOM 0 H PHE A 83 -2.149 10.027 -0.035 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.602 10.717 -2.745 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.619 8.848 -1.145 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.988 7.903 -1.697 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.580 10.155 -3.257 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -1.550 6.473 -3.436 1.00 1.54 H new ATOM 0 HE1 PHE A 83 1.870 9.504 -5.238 1.00 1.50 H new ATOM 0 HE2 PHE A 83 -0.245 5.817 -5.418 1.00 2.25 H new ATOM 0 HZ PHE A 83 1.271 7.502 -6.480 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.434 9.207 -2.081 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.691 8.784 -2.695 1.00 0.19 C ATOM 1310 C LEU A 84 -6.437 9.946 -3.363 1.00 0.22 C ATOM 1311 O LEU A 84 -6.980 9.770 -4.449 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.580 8.068 -1.684 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.217 6.600 -1.445 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -6.936 6.058 -0.227 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.565 5.768 -2.667 1.00 0.34 C ATOM 0 H LEU A 84 -4.398 9.117 -1.066 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.435 8.079 -3.486 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.530 8.601 -0.734 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.614 8.122 -2.026 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.143 6.539 -1.266 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.662 5.014 -0.078 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.651 6.637 0.651 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -8.013 6.133 -0.377 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -6.302 4.726 -2.485 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.634 5.843 -2.866 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -6.009 6.137 -3.529 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.504 11.141 -2.737 1.00 0.22 N ATOM 1328 CA PRO A 85 -7.034 12.334 -3.405 1.00 0.26 C ATOM 1329 C PRO A 85 -6.146 12.774 -4.563 1.00 0.28 C ATOM 1330 O PRO A 85 -6.604 13.418 -5.508 1.00 0.33 O ATOM 1331 CB PRO A 85 -7.034 13.414 -2.320 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.901 12.680 -1.037 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.138 11.422 -1.343 1.00 0.22 C ATOM 0 HA PRO A 85 -8.021 12.145 -3.828 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -6.209 14.113 -2.461 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.954 13.998 -2.346 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.374 13.283 -0.298 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.881 12.448 -0.619 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -5.063 11.565 -1.229 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.423 10.606 -0.679 1.00 0.22 H new ATOM 1341 N ARG A 86 -4.869 12.427 -4.476 1.00 0.27 N ATOM 1342 CA ARG A 86 -3.909 12.790 -5.505 1.00 0.31 C ATOM 1343 C ARG A 86 -4.121 11.931 -6.749 1.00 0.35 C ATOM 1344 O ARG A 86 -4.061 12.426 -7.874 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.478 12.631 -4.982 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.425 13.226 -5.900 1.00 0.75 C ATOM 1347 CD ARG A 86 -0.022 12.984 -5.369 1.00 0.72 C ATOM 1348 NE ARG A 86 0.132 13.436 -3.986 1.00 1.43 N ATOM 1349 CZ ARG A 86 1.296 13.483 -3.345 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.424 13.205 -3.986 1.00 1.44 N ATOM 1351 NH2 ARG A 86 1.337 13.826 -2.068 1.00 2.56 N ATOM 0 H ARG A 86 -4.475 11.893 -3.701 1.00 0.27 H new ATOM 0 HA ARG A 86 -4.063 13.835 -5.773 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.403 13.104 -4.003 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.268 11.571 -4.841 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -1.519 12.789 -6.894 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.596 14.297 -6.005 1.00 0.75 H new ATOM 0 HD2 ARG A 86 0.209 11.920 -5.430 1.00 0.72 H new ATOM 0 HD3 ARG A 86 0.698 13.503 -6.001 1.00 0.72 H new ATOM 0 HE ARG A 86 -0.704 13.733 -3.483 1.00 1.43 H new ATOM 0 HH11 ARG A 86 2.400 12.954 -4.974 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.315 13.242 -3.490 1.00 1.44 H new ATOM 0 HH21 ARG A 86 0.475 14.055 -1.573 1.00 2.56 H new ATOM 0 HH22 ARG A 86 2.231 13.861 -1.578 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.374 10.644 -6.539 1.00 0.30 N ATOM 1366 CA ASN A 87 -4.643 9.723 -7.640 1.00 0.37 C ATOM 1367 C ASN A 87 -5.851 8.852 -7.317 1.00 0.34 C ATOM 1368 O ASN A 87 -5.705 7.712 -6.871 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.433 8.824 -7.930 1.00 0.50 C ATOM 1370 CG ASN A 87 -2.161 9.601 -8.219 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -1.906 10.006 -9.355 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -1.343 9.799 -7.194 1.00 1.22 N ATOM 0 H ASN A 87 -4.399 10.213 -5.615 1.00 0.30 H new ATOM 0 HA ASN A 87 -4.848 10.324 -8.526 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -3.264 8.168 -7.076 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -3.661 8.184 -8.783 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -0.467 10.302 -7.331 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -1.590 9.448 -6.269 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.065 9.385 -7.503 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.295 8.655 -7.214 1.00 0.42 C ATOM 1381 C PRO A 88 -8.593 7.596 -8.271 1.00 0.49 C ATOM 1382 O PRO A 88 -9.103 7.905 -9.351 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.383 9.740 -7.218 1.00 0.53 C ATOM 1384 CG PRO A 88 -8.660 11.045 -7.331 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.348 10.739 -7.989 1.00 0.46 C ATOM 0 HA PRO A 88 -8.231 8.114 -6.270 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.070 9.601 -8.052 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -9.977 9.701 -6.305 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -9.235 11.759 -7.921 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.508 11.493 -6.349 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -7.420 10.774 -9.076 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -6.572 11.447 -7.698 1.00 0.46 H new ATOM 1393 N SER A 89 -8.240 6.352 -7.969 1.00 0.30 N ATOM 1394 CA SER A 89 -8.488 5.247 -8.885 1.00 0.36 C ATOM 1395 C SER A 89 -8.737 3.956 -8.105 1.00 0.34 C ATOM 1396 O SER A 89 -8.847 2.873 -8.680 1.00 0.42 O ATOM 1397 CB SER A 89 -7.279 5.084 -9.821 1.00 0.44 C ATOM 1398 OG SER A 89 -7.524 4.132 -10.845 1.00 1.37 O ATOM 0 H SER A 89 -7.782 6.084 -7.098 1.00 0.30 H new ATOM 0 HA SER A 89 -9.376 5.462 -9.479 1.00 0.36 H new ATOM 0 HB2 SER A 89 -7.037 6.047 -10.271 1.00 0.44 H new ATOM 0 HB3 SER A 89 -6.410 4.776 -9.240 1.00 0.44 H new ATOM 0 HG SER A 89 -7.961 3.343 -10.461 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.856 4.076 -6.789 1.00 0.30 N ATOM 1405 CA TRP A 90 -8.910 2.898 -5.934 1.00 0.28 C ATOM 1406 C TRP A 90 -10.202 2.845 -5.124 1.00 0.32 C ATOM 1407 O TRP A 90 -10.352 2.007 -4.235 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.701 2.878 -5.006 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.419 3.230 -5.706 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.663 4.349 -5.515 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.759 2.472 -6.729 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.566 4.327 -6.338 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.602 3.185 -7.096 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -6.030 1.257 -7.363 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.719 2.723 -8.069 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.154 0.800 -8.329 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -4.011 1.531 -8.673 1.00 0.38 C ATOM 0 H TRP A 90 -8.916 4.966 -6.295 1.00 0.30 H new ATOM 0 HA TRP A 90 -8.891 2.016 -6.574 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.866 3.579 -4.188 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.606 1.887 -4.563 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.895 5.139 -4.816 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.841 5.044 -6.379 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -6.908 0.685 -7.103 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -2.836 3.285 -8.337 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.355 -0.137 -8.827 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.346 1.146 -9.431 1.00 0.38 H new ATOM 1428 N LYS A 91 -11.139 3.732 -5.449 1.00 0.37 N ATOM 1429 CA LYS A 91 -12.462 3.727 -4.825 1.00 0.43 C ATOM 1430 C LYS A 91 -13.160 2.359 -4.959 1.00 0.41 C ATOM 1431 O LYS A 91 -13.778 1.903 -4.005 1.00 0.42 O ATOM 1432 CB LYS A 91 -13.351 4.825 -5.421 1.00 0.55 C ATOM 1433 CG LYS A 91 -14.721 4.919 -4.760 1.00 1.20 C ATOM 1434 CD LYS A 91 -15.628 5.926 -5.451 1.00 1.38 C ATOM 1435 CE LYS A 91 -15.091 7.344 -5.343 1.00 1.83 C ATOM 1436 NZ LYS A 91 -15.988 8.324 -6.009 1.00 2.61 N ATOM 0 H LYS A 91 -11.007 4.467 -6.144 1.00 0.37 H new ATOM 0 HA LYS A 91 -12.311 3.924 -3.764 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -12.843 5.785 -5.326 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -13.482 4.638 -6.487 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -15.196 3.938 -4.772 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -14.599 5.201 -3.714 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -15.734 5.657 -6.502 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -16.623 5.881 -5.009 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -14.977 7.611 -4.292 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -14.100 7.393 -5.794 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -15.589 9.280 -5.915 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -16.077 8.084 -7.017 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -16.927 8.295 -5.562 1.00 2.61 H new ATOM 1450 N PRO A 92 -13.092 1.677 -6.136 1.00 0.41 N ATOM 1451 CA PRO A 92 -13.697 0.345 -6.307 1.00 0.42 C ATOM 1452 C PRO A 92 -13.126 -0.711 -5.362 1.00 0.38 C ATOM 1453 O PRO A 92 -13.634 -1.830 -5.290 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.369 -0.033 -7.755 1.00 0.46 C ATOM 1455 CG PRO A 92 -12.256 0.872 -8.151 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.487 2.144 -7.396 1.00 0.43 C ATOM 0 HA PRO A 92 -14.763 0.381 -6.082 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -13.072 -1.079 -7.832 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.235 0.101 -8.403 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -11.288 0.437 -7.900 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -12.257 1.048 -9.227 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.556 2.684 -7.221 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -13.151 2.819 -7.936 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.065 -0.360 -4.654 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.422 -1.286 -3.738 1.00 0.26 C ATOM 1466 C LEU A 93 -11.727 -0.906 -2.301 1.00 0.22 C ATOM 1467 O LEU A 93 -12.078 -1.748 -1.477 1.00 0.21 O ATOM 1468 CB LEU A 93 -9.913 -1.259 -3.958 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.484 -1.356 -5.415 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -7.978 -1.212 -5.538 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -9.946 -2.675 -6.010 1.00 0.26 C ATOM 0 H LEU A 93 -11.630 0.562 -4.697 1.00 0.30 H new ATOM 0 HA LEU A 93 -11.805 -2.289 -3.929 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.514 -0.337 -3.536 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.463 -2.084 -3.405 1.00 0.25 H new ATOM 0 HG LEU A 93 -9.950 -0.542 -5.971 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -7.690 -1.284 -6.587 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -7.672 -0.243 -5.143 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.489 -2.005 -4.972 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -9.633 -2.733 -7.053 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.504 -3.501 -5.452 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.033 -2.739 -5.953 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.595 0.374 -2.018 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.699 0.885 -0.662 1.00 0.22 C ATOM 1485 C ILE A 94 -12.868 1.845 -0.537 1.00 0.27 C ATOM 1486 O ILE A 94 -13.848 1.756 -1.271 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.415 1.644 -0.272 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.189 2.819 -1.220 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.215 0.722 -0.296 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -8.945 3.604 -0.909 1.00 0.75 C ATOM 0 H ILE A 94 -11.413 1.091 -2.720 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.847 0.031 -0.001 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.538 2.022 0.743 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -10.128 2.446 -2.242 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.051 3.485 -1.174 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.321 1.281 -0.017 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.368 -0.093 0.411 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -9.090 0.314 -1.299 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -8.845 4.424 -1.620 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -9.012 4.007 0.102 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.075 2.951 -0.983 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.763 2.742 0.429 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.635 3.894 0.495 1.00 0.43 C ATOM 1504 C HIS A 95 -13.154 4.931 -0.521 1.00 0.39 C ATOM 1505 O HIS A 95 -13.383 4.801 -1.722 1.00 0.55 O ATOM 1506 CB HIS A 95 -13.613 4.503 1.905 1.00 0.64 C ATOM 1507 CG HIS A 95 -14.445 3.788 2.923 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -15.618 4.306 3.429 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -14.242 2.619 3.571 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -16.094 3.487 4.350 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -15.278 2.456 4.453 1.00 1.70 N ATOM 0 H HIS A 95 -12.076 2.690 1.181 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.656 3.589 0.267 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -12.581 4.528 2.256 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -13.954 5.536 1.842 1.00 0.64 H new ATOM 0 HD2 HIS A 95 -13.416 1.939 3.421 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -16.998 3.636 4.922 1.00 2.24 H new ATOM 0 HE2 HIS A 95 -15.399 1.666 5.086 1.00 1.70 H new ATOM 1520 N SER A 96 -12.459 5.933 -0.003 1.00 0.41 N ATOM 1521 CA SER A 96 -11.803 6.972 -0.781 1.00 0.49 C ATOM 1522 C SER A 96 -11.049 7.862 0.181 1.00 0.67 C ATOM 1523 O SER A 96 -11.632 8.343 1.157 1.00 1.53 O ATOM 1524 CB SER A 96 -12.795 7.833 -1.563 1.00 0.51 C ATOM 1525 OG SER A 96 -13.241 7.177 -2.731 1.00 1.43 O ATOM 0 H SER A 96 -12.332 6.048 1.003 1.00 0.41 H new ATOM 0 HA SER A 96 -11.144 6.492 -1.504 1.00 0.49 H new ATOM 0 HB2 SER A 96 -13.649 8.072 -0.930 1.00 0.51 H new ATOM 0 HB3 SER A 96 -12.324 8.778 -1.833 1.00 0.51 H new ATOM 0 HG SER A 96 -13.057 6.217 -2.657 1.00 1.43 H new ATOM 1531 N GLU A 97 -9.765 8.056 -0.074 1.00 0.58 N ATOM 1532 CA GLU A 97 -8.938 8.875 0.787 1.00 0.52 C ATOM 1533 C GLU A 97 -8.903 8.246 2.182 1.00 0.61 C ATOM 1534 O GLU A 97 -8.943 7.020 2.321 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.495 10.305 0.833 1.00 0.47 C ATOM 1536 CG GLU A 97 -8.562 11.332 1.446 1.00 1.09 C ATOM 1537 CD GLU A 97 -9.313 12.534 1.957 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -9.717 12.518 3.135 1.00 1.79 O ATOM 1539 OE2 GLU A 97 -9.533 13.483 1.178 1.00 1.89 O ATOM 0 H GLU A 97 -9.275 7.655 -0.874 1.00 0.58 H new ATOM 0 HA GLU A 97 -7.920 8.926 0.400 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -9.740 10.617 -0.182 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.427 10.299 1.398 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -8.006 10.875 2.265 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -7.831 11.649 0.702 1.00 1.09 H new