USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1091 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 96 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 97 HIS : no HD1:sc= 0 X(o=0,f=0.48) USER MOD Set 2.1: A 21 HIS : no HD1:sc= -1.99 K(o=-3.4,f=-1.7) USER MOD Set 2.2: A 90 TYR OH : rot 80:sc= -1.41 USER MOD Set 3.1: A 85 GLN : amide:sc= 0.193 X(o=0.39,f=0.62) USER MOD Set 3.2: A 87 SER OG : rot 130:sc= 0.194 USER MOD Set 4.1: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 70 LYS NZ :NH3+ 177:sc= -0.021 (180deg=-0.04) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0616 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.096 X(o=-0.096,f=-0.42) USER MOD Single : A 7 SER OG : rot 38:sc= 0.107 USER MOD Single : A 11 TYR OH : rot 171:sc= 1.13 USER MOD Single : A 14 ASN : amide:sc= -1.5 K(o=-1.5,f=-5.1!) USER MOD Single : A 15 TYR OH : rot -165:sc= -0.248 USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= -1.26 (180deg=-1.81) USER MOD Single : A 19 ASN : amide:sc= -1.92! C(o=-1.9!,f=-6!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.4) USER MOD Single : A 30 ASN : amide:sc= -0.0965 K(o=-0.096,f=-1.1!) USER MOD Single : A 31 CYS SG : rot -82:sc= 0.414 USER MOD Single : A 36 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 37 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.015) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 17:sc= 0.725! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0967 X(o=-0.097,f=-0.39) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 21:sc= 0.524! USER MOD Single : A 63 TYR OH : rot 180:sc= -2.71! USER MOD Single : A 65 CYS SG : rot 103:sc= 0.227 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0317 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.046) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 75 SER OG : rot 29:sc= 0.442 USER MOD Single : A 89 TYR OH : rot 165:sc= -0.959 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -2.25 K(o=-2.2,f=-5.1!) USER MOD Single : A 102 THR OG1 : rot 52:sc= 0.209 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 118 HIS : no HD1:sc= -4.75 K(o=-4.8,f=-6.1!) USER MOD Single : A 125 THR OG1 : rot -86:sc= -4.33! USER MOD Single : A 126 MET CE :methyl -150:sc= -2.47 (180deg=-3.99!) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.450 1.279 24.420 1.00 0.00 N ATOM 2 CA GLY A 1 9.228 1.812 23.048 1.00 0.00 C ATOM 3 C GLY A 1 8.518 0.818 22.147 1.00 0.00 C ATOM 4 O GLY A 1 7.969 -0.174 22.626 1.00 0.00 O ATOM 0 H1 GLY A 1 9.028 1.926 25.116 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.007 0.342 24.504 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.471 1.196 24.599 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.640 2.728 23.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.188 2.078 22.605 1.00 0.00 H new ATOM 10 N PRO A 2 8.513 1.058 20.825 1.00 0.00 N ATOM 11 CA PRO A 2 7.860 0.166 19.863 1.00 0.00 C ATOM 12 C PRO A 2 8.592 -1.163 19.715 1.00 0.00 C ATOM 13 O PRO A 2 9.820 -1.217 19.782 1.00 0.00 O ATOM 14 CB PRO A 2 7.913 0.954 18.552 1.00 0.00 C ATOM 15 CG PRO A 2 9.083 1.862 18.705 1.00 0.00 C ATOM 16 CD PRO A 2 9.145 2.217 20.165 1.00 0.00 C ATOM 0 HA PRO A 2 6.850 -0.099 20.176 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.036 0.291 17.696 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.993 1.516 18.390 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.002 1.372 18.383 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.967 2.755 18.091 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.172 2.360 20.501 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.609 3.142 20.377 1.00 0.00 H new ATOM 24 N TYR A 3 7.832 -2.234 19.513 1.00 0.00 N ATOM 25 CA TYR A 3 8.408 -3.563 19.356 1.00 0.00 C ATOM 26 C TYR A 3 7.388 -4.534 18.770 1.00 0.00 C ATOM 27 O TYR A 3 6.192 -4.435 19.048 1.00 0.00 O ATOM 28 CB TYR A 3 8.912 -4.087 20.702 1.00 0.00 C ATOM 29 CG TYR A 3 7.868 -4.056 21.795 1.00 0.00 C ATOM 30 CD1 TYR A 3 6.865 -5.016 21.851 1.00 0.00 C ATOM 31 CD2 TYR A 3 7.884 -3.066 22.770 1.00 0.00 C ATOM 32 CE1 TYR A 3 5.908 -4.992 22.848 1.00 0.00 C ATOM 33 CE2 TYR A 3 6.931 -3.035 23.770 1.00 0.00 C ATOM 34 CZ TYR A 3 5.946 -3.999 23.805 1.00 0.00 C ATOM 35 OH TYR A 3 4.995 -3.972 24.799 1.00 0.00 O ATOM 0 H TYR A 3 6.814 -2.207 19.454 1.00 0.00 H new ATOM 0 HA TYR A 3 9.248 -3.486 18.666 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.262 -5.111 20.575 1.00 0.00 H new ATOM 0 HB3 TYR A 3 9.771 -3.493 21.015 1.00 0.00 H new ATOM 0 HD1 TYR A 3 6.833 -5.794 21.103 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.654 -2.309 22.746 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.135 -5.746 22.878 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.958 -2.259 24.521 1.00 0.00 H new ATOM 0 HH TYR A 3 5.164 -3.211 25.393 1.00 0.00 H new ATOM 45 N GLY A 4 7.867 -5.470 17.958 1.00 0.00 N ATOM 46 CA GLY A 4 6.983 -6.444 17.346 1.00 0.00 C ATOM 47 C GLY A 4 6.402 -5.957 16.033 1.00 0.00 C ATOM 48 O GLY A 4 6.695 -6.512 14.973 1.00 0.00 O ATOM 0 H GLY A 4 8.852 -5.571 17.713 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.531 -7.371 17.176 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.171 -6.676 18.035 1.00 0.00 H new ATOM 52 N HIS A 5 5.577 -4.918 16.102 1.00 0.00 N ATOM 53 CA HIS A 5 4.953 -4.357 14.911 1.00 0.00 C ATOM 54 C HIS A 5 5.824 -3.260 14.304 1.00 0.00 C ATOM 55 O HIS A 5 6.377 -2.426 15.021 1.00 0.00 O ATOM 56 CB HIS A 5 3.569 -3.798 15.250 1.00 0.00 C ATOM 57 CG HIS A 5 2.505 -4.205 14.277 1.00 0.00 C ATOM 58 ND1 HIS A 5 2.535 -3.862 12.942 1.00 0.00 N ATOM 59 CD2 HIS A 5 1.376 -4.933 14.452 1.00 0.00 C ATOM 60 CE1 HIS A 5 1.471 -4.359 12.338 1.00 0.00 C ATOM 61 NE2 HIS A 5 0.752 -5.014 13.232 1.00 0.00 N ATOM 0 H HIS A 5 5.325 -4.447 16.971 1.00 0.00 H new ATOM 0 HA HIS A 5 4.845 -5.156 14.178 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.285 -4.133 16.248 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.623 -2.710 15.282 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.031 -5.368 15.378 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.230 -4.249 11.291 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -0.125 -5.501 13.046 1.00 0.00 H new ATOM 70 N GLN A 6 5.940 -3.268 12.980 1.00 0.00 N ATOM 71 CA GLN A 6 6.743 -2.274 12.277 1.00 0.00 C ATOM 72 C GLN A 6 5.882 -1.460 11.317 1.00 0.00 C ATOM 73 O GLN A 6 5.281 -2.004 10.391 1.00 0.00 O ATOM 74 CB GLN A 6 7.881 -2.955 11.512 1.00 0.00 C ATOM 75 CG GLN A 6 9.233 -2.829 12.194 1.00 0.00 C ATOM 76 CD GLN A 6 10.375 -2.698 11.205 1.00 0.00 C ATOM 77 OE1 GLN A 6 10.285 -1.950 10.232 1.00 0.00 O ATOM 78 NE2 GLN A 6 11.457 -3.428 11.451 1.00 0.00 N ATOM 0 H GLN A 6 5.488 -3.952 12.372 1.00 0.00 H new ATOM 0 HA GLN A 6 7.168 -1.596 13.017 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.643 -4.011 11.388 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.946 -2.523 10.513 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.225 -1.959 12.851 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.401 -3.703 12.824 1.00 0.00 H new ATOM 0 HE21 GLN A 6 11.487 -4.035 12.270 1.00 0.00 H new ATOM 0 HE22 GLN A 6 12.258 -3.382 10.821 1.00 0.00 H new ATOM 87 N SER A 7 5.827 -0.151 11.545 1.00 0.00 N ATOM 88 CA SER A 7 5.039 0.739 10.700 1.00 0.00 C ATOM 89 C SER A 7 5.779 1.059 9.405 1.00 0.00 C ATOM 90 O SER A 7 6.909 1.548 9.429 1.00 0.00 O ATOM 91 CB SER A 7 4.717 2.034 11.449 1.00 0.00 C ATOM 92 OG SER A 7 5.883 2.593 12.028 1.00 0.00 O ATOM 0 H SER A 7 6.318 0.316 12.307 1.00 0.00 H new ATOM 0 HA SER A 7 4.108 0.230 10.449 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.268 2.752 10.763 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.981 1.834 12.228 1.00 0.00 H new ATOM 0 HG SER A 7 6.642 2.468 11.421 1.00 0.00 H new ATOM 98 N GLY A 8 5.136 0.777 8.277 1.00 0.00 N ATOM 99 CA GLY A 8 5.749 1.041 6.988 1.00 0.00 C ATOM 100 C GLY A 8 5.242 0.112 5.903 1.00 0.00 C ATOM 101 O GLY A 8 5.086 0.518 4.752 1.00 0.00 O ATOM 0 H GLY A 8 4.202 0.370 8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.551 2.073 6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.830 0.936 7.075 1.00 0.00 H new ATOM 105 N ALA A 9 4.984 -1.139 6.270 1.00 0.00 N ATOM 106 CA ALA A 9 4.493 -2.129 5.320 1.00 0.00 C ATOM 107 C ALA A 9 3.290 -2.877 5.882 1.00 0.00 C ATOM 108 O ALA A 9 2.931 -2.710 7.048 1.00 0.00 O ATOM 109 CB ALA A 9 5.600 -3.105 4.954 1.00 0.00 C ATOM 0 H ALA A 9 5.107 -1.491 7.219 1.00 0.00 H new ATOM 0 HA ALA A 9 4.175 -1.605 4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.218 -3.838 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.430 -2.561 4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.946 -3.616 5.852 1.00 0.00 H new ATOM 115 N VAL A 10 2.671 -3.707 5.047 1.00 0.00 N ATOM 116 CA VAL A 10 1.510 -4.483 5.464 1.00 0.00 C ATOM 117 C VAL A 10 1.733 -5.970 5.205 1.00 0.00 C ATOM 118 O VAL A 10 1.789 -6.407 4.056 1.00 0.00 O ATOM 119 CB VAL A 10 0.232 -4.024 4.732 1.00 0.00 C ATOM 120 CG1 VAL A 10 0.373 -4.216 3.231 1.00 0.00 C ATOM 121 CG2 VAL A 10 -0.987 -4.766 5.261 1.00 0.00 C ATOM 0 H VAL A 10 2.955 -3.858 4.079 1.00 0.00 H new ATOM 0 HA VAL A 10 1.379 -4.317 6.533 1.00 0.00 H new ATOM 0 HB VAL A 10 0.092 -2.960 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.540 -3.886 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.217 -3.630 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.543 -5.270 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.877 -4.427 4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.857 -5.837 5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.101 -4.566 6.326 1.00 0.00 H new ATOM 131 N TYR A 11 1.862 -6.744 6.279 1.00 0.00 N ATOM 132 CA TYR A 11 2.082 -8.180 6.156 1.00 0.00 C ATOM 133 C TYR A 11 0.891 -8.967 6.691 1.00 0.00 C ATOM 134 O TYR A 11 0.339 -8.644 7.743 1.00 0.00 O ATOM 135 CB TYR A 11 3.374 -8.588 6.873 1.00 0.00 C ATOM 136 CG TYR A 11 3.290 -8.579 8.383 1.00 0.00 C ATOM 137 CD1 TYR A 11 3.182 -7.386 9.088 1.00 0.00 C ATOM 138 CD2 TYR A 11 3.332 -9.765 9.103 1.00 0.00 C ATOM 139 CE1 TYR A 11 3.117 -7.378 10.469 1.00 0.00 C ATOM 140 CE2 TYR A 11 3.266 -9.766 10.482 1.00 0.00 C ATOM 141 CZ TYR A 11 3.158 -8.570 11.160 1.00 0.00 C ATOM 142 OH TYR A 11 3.094 -8.566 12.535 1.00 0.00 O ATOM 0 H TYR A 11 1.818 -6.402 7.239 1.00 0.00 H new ATOM 0 HA TYR A 11 2.187 -8.417 5.097 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.655 -9.589 6.545 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.173 -7.915 6.563 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.148 -6.451 8.549 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.418 -10.703 8.575 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.035 -6.443 11.003 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.299 -10.698 11.027 1.00 0.00 H new ATOM 0 HH TYR A 11 2.989 -9.484 12.860 1.00 0.00 H new ATOM 152 N VAL A 12 0.491 -9.993 5.945 1.00 0.00 N ATOM 153 CA VAL A 12 -0.648 -10.822 6.321 1.00 0.00 C ATOM 154 C VAL A 12 -0.235 -12.278 6.533 1.00 0.00 C ATOM 155 O VAL A 12 0.500 -12.851 5.729 1.00 0.00 O ATOM 156 CB VAL A 12 -1.748 -10.753 5.241 1.00 0.00 C ATOM 157 CG1 VAL A 12 -2.902 -11.688 5.564 1.00 0.00 C ATOM 158 CG2 VAL A 12 -2.248 -9.328 5.088 1.00 0.00 C ATOM 0 H VAL A 12 0.942 -10.270 5.073 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.037 -10.432 7.262 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.311 -11.078 4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.659 -11.615 4.783 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.535 -12.713 5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.340 -11.408 6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.024 -9.295 4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.659 -8.983 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.421 -8.682 4.795 1.00 0.00 H new ATOM 168 N GLY A 13 -0.725 -12.870 7.621 1.00 0.00 N ATOM 169 CA GLY A 13 -0.413 -14.257 7.931 1.00 0.00 C ATOM 170 C GLY A 13 1.058 -14.589 7.770 1.00 0.00 C ATOM 171 O GLY A 13 1.917 -13.945 8.374 1.00 0.00 O ATOM 0 H GLY A 13 -1.336 -12.411 8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.717 -14.471 8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.999 -14.908 7.282 1.00 0.00 H new ATOM 175 N ASN A 14 1.348 -15.597 6.952 1.00 0.00 N ATOM 176 CA ASN A 14 2.724 -16.016 6.711 1.00 0.00 C ATOM 177 C ASN A 14 3.319 -15.293 5.504 1.00 0.00 C ATOM 178 O ASN A 14 4.326 -15.727 4.947 1.00 0.00 O ATOM 179 CB ASN A 14 2.787 -17.528 6.495 1.00 0.00 C ATOM 180 CG ASN A 14 2.124 -18.301 7.619 1.00 0.00 C ATOM 181 OD1 ASN A 14 1.532 -17.715 8.526 1.00 0.00 O ATOM 182 ND2 ASN A 14 2.221 -19.624 7.564 1.00 0.00 N ATOM 0 H ASN A 14 0.648 -16.138 6.445 1.00 0.00 H new ATOM 0 HA ASN A 14 3.312 -15.754 7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.303 -17.778 5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.829 -17.837 6.410 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.795 -20.197 8.292 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.721 -20.067 6.793 1.00 0.00 H new ATOM 189 N TYR A 15 2.695 -14.187 5.109 1.00 0.00 N ATOM 190 CA TYR A 15 3.163 -13.398 3.974 1.00 0.00 C ATOM 191 C TYR A 15 3.319 -11.936 4.376 1.00 0.00 C ATOM 192 O TYR A 15 2.566 -11.430 5.209 1.00 0.00 O ATOM 193 CB TYR A 15 2.176 -13.493 2.810 1.00 0.00 C ATOM 194 CG TYR A 15 2.256 -14.778 2.012 1.00 0.00 C ATOM 195 CD1 TYR A 15 3.425 -15.529 1.955 1.00 0.00 C ATOM 196 CD2 TYR A 15 1.150 -15.237 1.311 1.00 0.00 C ATOM 197 CE1 TYR A 15 3.484 -16.699 1.225 1.00 0.00 C ATOM 198 CE2 TYR A 15 1.201 -16.407 0.581 1.00 0.00 C ATOM 199 CZ TYR A 15 2.370 -17.134 0.541 1.00 0.00 C ATOM 200 OH TYR A 15 2.425 -18.304 -0.184 1.00 0.00 O ATOM 0 H TYR A 15 1.860 -13.815 5.561 1.00 0.00 H new ATOM 0 HA TYR A 15 4.128 -13.796 3.661 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.164 -13.387 3.201 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.348 -12.653 2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.300 -15.192 2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.232 -14.668 1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.399 -17.271 1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.329 -16.751 0.044 1.00 0.00 H new ATOM 0 HH TYR A 15 1.656 -18.350 -0.790 1.00 0.00 H new ATOM 210 N LYS A 16 4.289 -11.258 3.779 1.00 0.00 N ATOM 211 CA LYS A 16 4.525 -9.851 4.075 1.00 0.00 C ATOM 212 C LYS A 16 4.707 -9.052 2.791 1.00 0.00 C ATOM 213 O LYS A 16 5.678 -9.256 2.060 1.00 0.00 O ATOM 214 CB LYS A 16 5.760 -9.701 4.968 1.00 0.00 C ATOM 215 CG LYS A 16 6.154 -8.255 5.234 1.00 0.00 C ATOM 216 CD LYS A 16 7.558 -7.953 4.737 1.00 0.00 C ATOM 217 CE LYS A 16 8.253 -6.932 5.622 1.00 0.00 C ATOM 218 NZ LYS A 16 8.003 -5.537 5.166 1.00 0.00 N ATOM 0 H LYS A 16 4.924 -11.658 3.088 1.00 0.00 H new ATOM 0 HA LYS A 16 3.655 -9.460 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.571 -10.197 5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.599 -10.216 4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.444 -7.589 4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.096 -8.053 6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.142 -8.873 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.511 -7.578 3.715 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.905 -7.046 6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.326 -7.126 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.222 -4.875 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.608 -5.326 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.004 -5.434 4.895 1.00 0.00 H new ATOM 232 N VAL A 17 3.779 -8.135 2.515 1.00 0.00 N ATOM 233 CA VAL A 17 3.877 -7.318 1.312 1.00 0.00 C ATOM 234 C VAL A 17 4.388 -5.919 1.646 1.00 0.00 C ATOM 235 O VAL A 17 3.787 -5.191 2.440 1.00 0.00 O ATOM 236 CB VAL A 17 2.527 -7.233 0.539 1.00 0.00 C ATOM 237 CG1 VAL A 17 1.562 -8.325 0.987 1.00 0.00 C ATOM 238 CG2 VAL A 17 1.870 -5.866 0.678 1.00 0.00 C ATOM 0 H VAL A 17 2.965 -7.943 3.099 1.00 0.00 H new ATOM 0 HA VAL A 17 4.595 -7.810 0.655 1.00 0.00 H new ATOM 0 HB VAL A 17 2.763 -7.384 -0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.630 -8.238 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.007 -9.303 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.359 -8.216 2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.932 -5.855 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.671 -5.663 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.536 -5.100 0.281 1.00 0.00 H new ATOM 248 N VAL A 18 5.507 -5.556 1.031 1.00 0.00 N ATOM 249 CA VAL A 18 6.117 -4.252 1.246 1.00 0.00 C ATOM 250 C VAL A 18 6.594 -3.639 -0.068 1.00 0.00 C ATOM 251 O VAL A 18 6.781 -4.346 -1.061 1.00 0.00 O ATOM 252 CB VAL A 18 7.300 -4.341 2.233 1.00 0.00 C ATOM 253 CG1 VAL A 18 8.440 -5.154 1.639 1.00 0.00 C ATOM 254 CG2 VAL A 18 7.775 -2.952 2.627 1.00 0.00 C ATOM 0 H VAL A 18 6.012 -6.152 0.375 1.00 0.00 H new ATOM 0 HA VAL A 18 5.349 -3.609 1.676 1.00 0.00 H new ATOM 0 HB VAL A 18 6.955 -4.851 3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.262 -5.203 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.091 -6.163 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.785 -4.680 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.609 -3.037 3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.098 -2.412 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.958 -2.410 3.104 1.00 0.00 H new ATOM 264 N ASN A 19 6.811 -2.326 -0.063 1.00 0.00 N ATOM 265 CA ASN A 19 7.295 -1.630 -1.250 1.00 0.00 C ATOM 266 C ASN A 19 8.644 -2.204 -1.676 1.00 0.00 C ATOM 267 O ASN A 19 9.471 -2.549 -0.831 1.00 0.00 O ATOM 268 CB ASN A 19 7.420 -0.128 -0.975 1.00 0.00 C ATOM 269 CG ASN A 19 6.423 0.690 -1.773 1.00 0.00 C ATOM 270 OD1 ASN A 19 5.216 0.617 -1.541 1.00 0.00 O ATOM 271 ND2 ASN A 19 6.924 1.475 -2.719 1.00 0.00 N ATOM 0 H ASN A 19 6.660 -1.725 0.747 1.00 0.00 H new ATOM 0 HA ASN A 19 6.578 -1.774 -2.058 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.270 0.058 0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.431 0.200 -1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.302 2.049 -3.288 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.931 1.504 -2.877 1.00 0.00 H new ATOM 278 N ARG A 20 8.860 -2.321 -2.982 1.00 0.00 N ATOM 279 CA ARG A 20 10.109 -2.875 -3.496 1.00 0.00 C ATOM 280 C ARG A 20 11.315 -2.101 -2.971 1.00 0.00 C ATOM 281 O ARG A 20 12.284 -2.689 -2.494 1.00 0.00 O ATOM 282 CB ARG A 20 10.106 -2.856 -5.026 1.00 0.00 C ATOM 283 CG ARG A 20 9.609 -4.149 -5.651 1.00 0.00 C ATOM 284 CD ARG A 20 9.600 -4.068 -7.170 1.00 0.00 C ATOM 285 NE ARG A 20 10.890 -4.443 -7.748 1.00 0.00 N ATOM 286 CZ ARG A 20 11.894 -3.591 -7.943 1.00 0.00 C ATOM 287 NH1 ARG A 20 11.766 -2.311 -7.613 1.00 0.00 N ATOM 288 NH2 ARG A 20 13.031 -4.020 -8.473 1.00 0.00 N ATOM 0 H ARG A 20 8.192 -2.042 -3.700 1.00 0.00 H new ATOM 0 HA ARG A 20 10.186 -3.905 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.480 -2.032 -5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.117 -2.657 -5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.245 -4.975 -5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.603 -4.365 -5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.823 -4.723 -7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.347 -3.053 -7.477 1.00 0.00 H new ATOM 0 HE ARG A 20 11.029 -5.417 -8.018 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.893 -1.974 -7.207 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.540 -1.665 -7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.135 -5.001 -8.731 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.801 -3.369 -8.623 1.00 0.00 H new ATOM 302 N HIS A 21 11.250 -0.780 -3.046 1.00 0.00 N ATOM 303 CA HIS A 21 12.345 0.054 -2.568 1.00 0.00 C ATOM 304 C HIS A 21 12.464 -0.003 -1.044 1.00 0.00 C ATOM 305 O HIS A 21 13.418 0.526 -0.473 1.00 0.00 O ATOM 306 CB HIS A 21 12.147 1.502 -3.024 1.00 0.00 C ATOM 307 CG HIS A 21 12.951 1.860 -4.236 1.00 0.00 C ATOM 308 ND1 HIS A 21 14.306 2.109 -4.193 1.00 0.00 N ATOM 309 CD2 HIS A 21 12.583 2.009 -5.530 1.00 0.00 C ATOM 310 CE1 HIS A 21 14.738 2.397 -5.409 1.00 0.00 C ATOM 311 NE2 HIS A 21 13.712 2.342 -6.237 1.00 0.00 N ATOM 0 H HIS A 21 10.458 -0.265 -3.430 1.00 0.00 H new ATOM 0 HA HIS A 21 13.270 -0.333 -2.995 1.00 0.00 H new ATOM 0 HB2 HIS A 21 11.091 1.667 -3.236 1.00 0.00 H new ATOM 0 HB3 HIS A 21 12.416 2.172 -2.208 1.00 0.00 H new ATOM 0 HD2 HIS A 21 11.588 1.889 -5.931 1.00 0.00 H new ATOM 0 HE1 HIS A 21 15.756 2.636 -5.678 1.00 0.00 H new ATOM 0 HE2 HIS A 21 13.751 2.518 -7.241 1.00 0.00 H new ATOM 320 N LEU A 22 11.490 -0.630 -0.386 1.00 0.00 N ATOM 321 CA LEU A 22 11.500 -0.728 1.068 1.00 0.00 C ATOM 322 C LEU A 22 11.636 -2.172 1.561 1.00 0.00 C ATOM 323 O LEU A 22 11.546 -2.421 2.763 1.00 0.00 O ATOM 324 CB LEU A 22 10.224 -0.113 1.642 1.00 0.00 C ATOM 325 CG LEU A 22 10.389 0.576 2.997 1.00 0.00 C ATOM 326 CD1 LEU A 22 11.008 1.955 2.823 1.00 0.00 C ATOM 327 CD2 LEU A 22 9.049 0.678 3.710 1.00 0.00 C ATOM 0 H LEU A 22 10.690 -1.074 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 22 12.374 -0.179 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.836 0.613 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.473 -0.897 1.740 1.00 0.00 H new ATOM 0 HG LEU A 22 11.060 -0.026 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.118 2.430 3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.987 1.858 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.363 2.566 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.186 1.171 4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.356 1.258 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.644 -0.322 3.869 1.00 0.00 H new ATOM 339 N ALA A 23 11.846 -3.127 0.653 1.00 0.00 N ATOM 340 CA ALA A 23 11.976 -4.521 1.067 1.00 0.00 C ATOM 341 C ALA A 23 13.424 -4.873 1.394 1.00 0.00 C ATOM 342 O ALA A 23 14.332 -4.613 0.606 1.00 0.00 O ATOM 343 CB ALA A 23 11.430 -5.447 -0.007 1.00 0.00 C ATOM 0 H ALA A 23 11.928 -2.965 -0.351 1.00 0.00 H new ATOM 0 HA ALA A 23 11.389 -4.655 1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.535 -6.482 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.377 -5.225 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.987 -5.299 -0.932 1.00 0.00 H new ATOM 349 N THR A 24 13.628 -5.467 2.568 1.00 0.00 N ATOM 350 CA THR A 24 14.963 -5.860 3.008 1.00 0.00 C ATOM 351 C THR A 24 15.433 -7.102 2.260 1.00 0.00 C ATOM 352 O THR A 24 14.636 -7.795 1.633 1.00 0.00 O ATOM 353 CB THR A 24 14.970 -6.125 4.515 1.00 0.00 C ATOM 354 OG1 THR A 24 14.272 -7.319 4.818 1.00 0.00 O ATOM 355 CG2 THR A 24 14.341 -5.009 5.321 1.00 0.00 C ATOM 0 H THR A 24 12.885 -5.686 3.231 1.00 0.00 H new ATOM 0 HA THR A 24 15.648 -5.041 2.789 1.00 0.00 H new ATOM 0 HB THR A 24 16.022 -6.202 4.790 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.289 -7.471 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.378 -5.260 6.381 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.888 -4.082 5.148 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.303 -4.880 5.015 1.00 0.00 H new ATOM 363 N HIS A 25 16.732 -7.379 2.330 1.00 0.00 N ATOM 364 CA HIS A 25 17.304 -8.535 1.647 1.00 0.00 C ATOM 365 C HIS A 25 16.572 -9.818 2.026 1.00 0.00 C ATOM 366 O HIS A 25 16.489 -10.753 1.231 1.00 0.00 O ATOM 367 CB HIS A 25 18.791 -8.666 1.983 1.00 0.00 C ATOM 368 CG HIS A 25 19.620 -7.518 1.497 1.00 0.00 C ATOM 369 ND1 HIS A 25 19.824 -7.250 0.159 1.00 0.00 N ATOM 370 CD2 HIS A 25 20.299 -6.565 2.177 1.00 0.00 C ATOM 371 CE1 HIS A 25 20.594 -6.183 0.038 1.00 0.00 C ATOM 372 NE2 HIS A 25 20.895 -5.749 1.247 1.00 0.00 N ATOM 0 H HIS A 25 17.407 -6.820 2.852 1.00 0.00 H new ATOM 0 HA HIS A 25 17.190 -8.380 0.574 1.00 0.00 H new ATOM 0 HB2 HIS A 25 18.904 -8.753 3.064 1.00 0.00 H new ATOM 0 HB3 HIS A 25 19.173 -9.589 1.547 1.00 0.00 H new ATOM 0 HD2 HIS A 25 20.361 -6.465 3.251 1.00 0.00 H new ATOM 0 HE1 HIS A 25 20.921 -5.742 -0.892 1.00 0.00 H new ATOM 0 HE2 HIS A 25 21.477 -4.938 1.457 1.00 0.00 H new ATOM 381 N VAL A 26 16.038 -9.854 3.240 1.00 0.00 N ATOM 382 CA VAL A 26 15.306 -11.021 3.712 1.00 0.00 C ATOM 383 C VAL A 26 13.989 -11.182 2.957 1.00 0.00 C ATOM 384 O VAL A 26 13.537 -12.299 2.702 1.00 0.00 O ATOM 385 CB VAL A 26 15.012 -10.931 5.221 1.00 0.00 C ATOM 386 CG1 VAL A 26 14.424 -12.238 5.731 1.00 0.00 C ATOM 387 CG2 VAL A 26 16.274 -10.571 5.989 1.00 0.00 C ATOM 0 H VAL A 26 16.098 -9.091 3.914 1.00 0.00 H new ATOM 0 HA VAL A 26 15.940 -11.888 3.527 1.00 0.00 H new ATOM 0 HB VAL A 26 14.277 -10.142 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.223 -12.154 6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 26 13.494 -12.450 5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 26 15.132 -13.048 5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 26 16.048 -10.512 7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.033 -11.336 5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.648 -9.607 5.643 1.00 0.00 H new ATOM 397 N ASP A 27 13.381 -10.056 2.592 1.00 0.00 N ATOM 398 CA ASP A 27 12.127 -10.069 1.863 1.00 0.00 C ATOM 399 C ASP A 27 12.340 -10.608 0.461 1.00 0.00 C ATOM 400 O ASP A 27 11.548 -11.406 -0.036 1.00 0.00 O ATOM 401 CB ASP A 27 11.534 -8.658 1.797 1.00 0.00 C ATOM 402 CG ASP A 27 10.569 -8.383 2.932 1.00 0.00 C ATOM 403 OD1 ASP A 27 10.997 -8.450 4.104 1.00 0.00 O ATOM 404 OD2 ASP A 27 9.386 -8.102 2.651 1.00 0.00 O ATOM 0 H ASP A 27 13.742 -9.123 2.792 1.00 0.00 H new ATOM 0 HA ASP A 27 11.428 -10.719 2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.341 -7.926 1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.018 -8.528 0.846 1.00 0.00 H new ATOM 409 N TRP A 28 13.416 -10.154 -0.173 1.00 0.00 N ATOM 410 CA TRP A 28 13.730 -10.579 -1.525 1.00 0.00 C ATOM 411 C TRP A 28 14.257 -12.011 -1.564 1.00 0.00 C ATOM 412 O TRP A 28 13.833 -12.812 -2.396 1.00 0.00 O ATOM 413 CB TRP A 28 14.731 -9.623 -2.175 1.00 0.00 C ATOM 414 CG TRP A 28 14.219 -8.219 -2.259 1.00 0.00 C ATOM 415 CD1 TRP A 28 14.135 -7.326 -1.235 1.00 0.00 C ATOM 416 CD2 TRP A 28 13.707 -7.548 -3.417 1.00 0.00 C ATOM 417 NE1 TRP A 28 13.617 -6.140 -1.681 1.00 0.00 N ATOM 418 CE2 TRP A 28 13.340 -6.250 -3.013 1.00 0.00 C ATOM 419 CE3 TRP A 28 13.525 -7.912 -4.754 1.00 0.00 C ATOM 420 CZ2 TRP A 28 12.802 -5.319 -3.888 1.00 0.00 C ATOM 421 CZ3 TRP A 28 12.989 -6.983 -5.628 1.00 0.00 C ATOM 422 CH2 TRP A 28 12.632 -5.699 -5.192 1.00 0.00 C ATOM 0 H TRP A 28 14.081 -9.494 0.229 1.00 0.00 H new ATOM 0 HA TRP A 28 12.801 -10.555 -2.095 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.660 -9.633 -1.604 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.969 -9.979 -3.177 1.00 0.00 H new ATOM 0 HD1 TRP A 28 14.434 -7.525 -0.216 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.463 -5.309 -1.110 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.797 -8.899 -5.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.527 -4.330 -3.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.843 -7.251 -6.664 1.00 0.00 H new ATOM 0 HH2 TRP A 28 12.215 -4.997 -5.898 1.00 0.00 H new ATOM 433 N GLN A 29 15.181 -12.334 -0.664 1.00 0.00 N ATOM 434 CA GLN A 29 15.754 -13.676 -0.614 1.00 0.00 C ATOM 435 C GLN A 29 14.654 -14.728 -0.484 1.00 0.00 C ATOM 436 O GLN A 29 14.739 -15.807 -1.070 1.00 0.00 O ATOM 437 CB GLN A 29 16.747 -13.798 0.547 1.00 0.00 C ATOM 438 CG GLN A 29 16.087 -13.894 1.913 1.00 0.00 C ATOM 439 CD GLN A 29 17.094 -14.005 3.040 1.00 0.00 C ATOM 440 OE1 GLN A 29 17.011 -14.904 3.877 1.00 0.00 O ATOM 441 NE2 GLN A 29 18.054 -13.086 3.070 1.00 0.00 N ATOM 0 H GLN A 29 15.547 -11.690 0.037 1.00 0.00 H new ATOM 0 HA GLN A 29 16.290 -13.850 -1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 29 17.367 -14.681 0.391 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.413 -12.935 0.536 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.463 -13.015 2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.427 -14.761 1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.086 -12.358 2.356 1.00 0.00 H new ATOM 0 HE22 GLN A 29 18.759 -13.109 3.807 1.00 0.00 H new ATOM 450 N ASN A 30 13.618 -14.400 0.285 1.00 0.00 N ATOM 451 CA ASN A 30 12.498 -15.311 0.488 1.00 0.00 C ATOM 452 C ASN A 30 11.215 -14.730 -0.097 1.00 0.00 C ATOM 453 O ASN A 30 10.128 -14.932 0.442 1.00 0.00 O ATOM 454 CB ASN A 30 12.310 -15.599 1.978 1.00 0.00 C ATOM 455 CG ASN A 30 13.083 -16.821 2.434 1.00 0.00 C ATOM 456 OD1 ASN A 30 13.203 -17.802 1.702 1.00 0.00 O ATOM 457 ND2 ASN A 30 13.612 -16.768 3.651 1.00 0.00 N ATOM 0 H ASN A 30 13.532 -13.510 0.777 1.00 0.00 H new ATOM 0 HA ASN A 30 12.722 -16.245 -0.028 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.632 -14.733 2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.250 -15.745 2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.142 -17.561 4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.488 -15.934 4.225 1.00 0.00 H new ATOM 464 N CYS A 31 11.349 -14.002 -1.204 1.00 0.00 N ATOM 465 CA CYS A 31 10.197 -13.389 -1.857 1.00 0.00 C ATOM 466 C CYS A 31 9.442 -14.398 -2.712 1.00 0.00 C ATOM 467 O CYS A 31 10.022 -15.062 -3.570 1.00 0.00 O ATOM 468 CB CYS A 31 10.636 -12.206 -2.727 1.00 0.00 C ATOM 469 SG CYS A 31 11.573 -12.669 -4.204 1.00 0.00 S ATOM 0 H CYS A 31 12.241 -13.823 -1.665 1.00 0.00 H new ATOM 0 HA CYS A 31 9.530 -13.031 -1.073 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.751 -11.648 -3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.244 -11.533 -2.123 1.00 0.00 H new ATOM 0 HG CYS A 31 12.817 -12.869 -3.884 1.00 0.00 H new ATOM 475 N VAL A 32 8.139 -14.494 -2.483 1.00 0.00 N ATOM 476 CA VAL A 32 7.298 -15.404 -3.242 1.00 0.00 C ATOM 477 C VAL A 32 6.781 -14.720 -4.504 1.00 0.00 C ATOM 478 O VAL A 32 6.701 -15.337 -5.567 1.00 0.00 O ATOM 479 CB VAL A 32 6.104 -15.909 -2.406 1.00 0.00 C ATOM 480 CG1 VAL A 32 6.576 -16.847 -1.306 1.00 0.00 C ATOM 481 CG2 VAL A 32 5.333 -14.745 -1.811 1.00 0.00 C ATOM 0 H VAL A 32 7.643 -13.951 -1.776 1.00 0.00 H new ATOM 0 HA VAL A 32 7.912 -16.263 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 32 5.438 -16.461 -3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.718 -17.191 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.082 -17.704 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.267 -16.319 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.496 -15.125 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.992 -14.163 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.957 -14.110 -2.613 1.00 0.00 H new ATOM 491 N TRP A 33 6.435 -13.438 -4.382 1.00 0.00 N ATOM 492 CA TRP A 33 5.930 -12.672 -5.523 1.00 0.00 C ATOM 493 C TRP A 33 6.501 -11.250 -5.525 1.00 0.00 C ATOM 494 O TRP A 33 6.851 -10.712 -4.475 1.00 0.00 O ATOM 495 CB TRP A 33 4.394 -12.655 -5.506 1.00 0.00 C ATOM 496 CG TRP A 33 3.777 -11.416 -6.089 1.00 0.00 C ATOM 497 CD1 TRP A 33 3.299 -11.246 -7.357 1.00 0.00 C ATOM 498 CD2 TRP A 33 3.571 -10.175 -5.413 1.00 0.00 C ATOM 499 NE1 TRP A 33 2.807 -9.971 -7.507 1.00 0.00 N ATOM 500 CE2 TRP A 33 2.964 -9.294 -6.325 1.00 0.00 C ATOM 501 CE3 TRP A 33 3.841 -9.727 -4.121 1.00 0.00 C ATOM 502 CZ2 TRP A 33 2.626 -7.988 -5.979 1.00 0.00 C ATOM 503 CZ3 TRP A 33 3.507 -8.433 -3.779 1.00 0.00 C ATOM 504 CH2 TRP A 33 2.905 -7.577 -4.707 1.00 0.00 C ATOM 0 H TRP A 33 6.494 -12.911 -3.511 1.00 0.00 H new ATOM 0 HA TRP A 33 6.259 -13.157 -6.442 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.028 -13.521 -6.057 1.00 0.00 H new ATOM 0 HB3 TRP A 33 4.054 -12.765 -4.476 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.306 -12.002 -8.128 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.393 -9.591 -8.358 1.00 0.00 H new ATOM 0 HE3 TRP A 33 4.305 -10.383 -3.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.160 -7.324 -6.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 3.713 -8.076 -2.781 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.655 -6.569 -4.411 1.00 0.00 H new ATOM 515 N GLU A 34 6.593 -10.652 -6.712 1.00 0.00 N ATOM 516 CA GLU A 34 7.121 -9.295 -6.849 1.00 0.00 C ATOM 517 C GLU A 34 6.807 -8.721 -8.232 1.00 0.00 C ATOM 518 O GLU A 34 7.408 -9.119 -9.230 1.00 0.00 O ATOM 519 CB GLU A 34 8.637 -9.296 -6.609 1.00 0.00 C ATOM 520 CG GLU A 34 9.314 -7.960 -6.889 1.00 0.00 C ATOM 521 CD GLU A 34 10.677 -8.125 -7.531 1.00 0.00 C ATOM 522 OE1 GLU A 34 11.423 -9.036 -7.114 1.00 0.00 O ATOM 523 OE2 GLU A 34 11.000 -7.342 -8.449 1.00 0.00 O ATOM 0 H GLU A 34 6.309 -11.085 -7.591 1.00 0.00 H new ATOM 0 HA GLU A 34 6.640 -8.663 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.830 -9.578 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.093 -10.061 -7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.678 -7.363 -7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.420 -7.407 -5.956 1.00 0.00 H new ATOM 530 N ASP A 35 5.866 -7.779 -8.280 1.00 0.00 N ATOM 531 CA ASP A 35 5.479 -7.146 -9.539 1.00 0.00 C ATOM 532 C ASP A 35 5.998 -5.711 -9.616 1.00 0.00 C ATOM 533 O ASP A 35 5.741 -4.891 -8.728 1.00 0.00 O ATOM 534 CB ASP A 35 3.959 -7.162 -9.701 1.00 0.00 C ATOM 535 CG ASP A 35 3.258 -6.367 -8.622 1.00 0.00 C ATOM 536 OD1 ASP A 35 3.870 -6.147 -7.555 1.00 0.00 O ATOM 537 OD2 ASP A 35 2.096 -5.963 -8.841 1.00 0.00 O ATOM 0 H ASP A 35 5.359 -7.438 -7.463 1.00 0.00 H new ATOM 0 HA ASP A 35 5.928 -7.717 -10.352 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.696 -6.756 -10.678 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.604 -8.192 -9.678 1.00 0.00 H new ATOM 542 N TYR A 36 6.735 -5.422 -10.686 1.00 0.00 N ATOM 543 CA TYR A 36 7.305 -4.097 -10.898 1.00 0.00 C ATOM 544 C TYR A 36 6.220 -3.053 -11.149 1.00 0.00 C ATOM 545 O TYR A 36 6.353 -1.900 -10.738 1.00 0.00 O ATOM 546 CB TYR A 36 8.281 -4.128 -12.075 1.00 0.00 C ATOM 547 CG TYR A 36 9.453 -3.186 -11.916 1.00 0.00 C ATOM 548 CD1 TYR A 36 9.311 -1.824 -12.150 1.00 0.00 C ATOM 549 CD2 TYR A 36 10.701 -3.660 -11.530 1.00 0.00 C ATOM 550 CE1 TYR A 36 10.381 -0.961 -12.004 1.00 0.00 C ATOM 551 CE2 TYR A 36 11.774 -2.803 -11.382 1.00 0.00 C ATOM 552 CZ TYR A 36 11.609 -1.455 -11.620 1.00 0.00 C ATOM 553 OH TYR A 36 12.677 -0.599 -11.473 1.00 0.00 O ATOM 0 H TYR A 36 6.951 -6.093 -11.423 1.00 0.00 H new ATOM 0 HA TYR A 36 7.839 -3.815 -9.990 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.656 -5.144 -12.198 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.743 -3.874 -12.989 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.350 -1.433 -12.451 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.834 -4.715 -11.343 1.00 0.00 H new ATOM 0 HE1 TYR A 36 10.255 0.095 -12.190 1.00 0.00 H new ATOM 0 HE2 TYR A 36 12.738 -3.187 -11.081 1.00 0.00 H new ATOM 0 HH TYR A 36 13.468 -1.107 -11.197 1.00 0.00 H new ATOM 563 N ASN A 37 5.145 -3.459 -11.819 1.00 0.00 N ATOM 564 CA ASN A 37 4.046 -2.550 -12.110 1.00 0.00 C ATOM 565 C ASN A 37 3.449 -2.002 -10.820 1.00 0.00 C ATOM 566 O ASN A 37 2.856 -0.925 -10.806 1.00 0.00 O ATOM 567 CB ASN A 37 2.966 -3.264 -12.925 1.00 0.00 C ATOM 568 CG ASN A 37 3.346 -3.416 -14.384 1.00 0.00 C ATOM 569 OD1 ASN A 37 3.338 -4.520 -14.929 1.00 0.00 O ATOM 570 ND2 ASN A 37 3.684 -2.304 -15.025 1.00 0.00 N ATOM 0 H ASN A 37 5.014 -4.408 -12.168 1.00 0.00 H new ATOM 0 HA ASN A 37 4.436 -1.717 -12.695 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.783 -4.249 -12.496 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.032 -2.706 -12.852 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.951 -2.343 -16.009 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.677 -1.410 -14.534 1.00 0.00 H new ATOM 577 N ARG A 38 3.618 -2.748 -9.733 1.00 0.00 N ATOM 578 CA ARG A 38 3.103 -2.328 -8.439 1.00 0.00 C ATOM 579 C ARG A 38 4.242 -2.019 -7.472 1.00 0.00 C ATOM 580 O ARG A 38 4.007 -1.571 -6.349 1.00 0.00 O ATOM 581 CB ARG A 38 2.201 -3.416 -7.847 1.00 0.00 C ATOM 582 CG ARG A 38 1.356 -2.946 -6.674 1.00 0.00 C ATOM 583 CD ARG A 38 0.472 -1.774 -7.057 1.00 0.00 C ATOM 584 NE ARG A 38 1.214 -0.516 -7.060 1.00 0.00 N ATOM 585 CZ ARG A 38 0.976 0.488 -7.898 1.00 0.00 C ATOM 586 NH1 ARG A 38 -0.011 0.411 -8.781 1.00 0.00 N ATOM 587 NH2 ARG A 38 1.728 1.575 -7.849 1.00 0.00 N ATOM 0 H ARG A 38 4.106 -3.643 -9.724 1.00 0.00 H new ATOM 0 HA ARG A 38 2.519 -1.420 -8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.542 -3.793 -8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.821 -4.252 -7.523 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.736 -3.769 -6.318 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.007 -2.657 -5.849 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.046 -1.947 -8.045 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.362 -1.703 -6.358 1.00 0.00 H new ATOM 0 HE ARG A 38 1.962 -0.401 -6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.595 -0.424 -8.821 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.186 1.187 -9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.487 1.640 -7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.549 2.348 -8.490 1.00 0.00 H new ATOM 601 N ASP A 39 5.480 -2.267 -7.906 1.00 0.00 N ATOM 602 CA ASP A 39 6.647 -2.022 -7.067 1.00 0.00 C ATOM 603 C ASP A 39 6.437 -2.639 -5.690 1.00 0.00 C ATOM 604 O ASP A 39 6.833 -2.072 -4.672 1.00 0.00 O ATOM 605 CB ASP A 39 6.906 -0.518 -6.939 1.00 0.00 C ATOM 606 CG ASP A 39 7.920 -0.018 -7.948 1.00 0.00 C ATOM 607 OD1 ASP A 39 9.042 -0.565 -7.985 1.00 0.00 O ATOM 608 OD2 ASP A 39 7.593 0.924 -8.702 1.00 0.00 O ATOM 0 H ASP A 39 5.696 -2.636 -8.832 1.00 0.00 H new ATOM 0 HA ASP A 39 7.517 -2.485 -7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.969 0.022 -7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.260 -0.298 -5.932 1.00 0.00 H new ATOM 613 N LEU A 40 5.788 -3.798 -5.674 1.00 0.00 N ATOM 614 CA LEU A 40 5.496 -4.491 -4.425 1.00 0.00 C ATOM 615 C LEU A 40 5.904 -5.960 -4.499 1.00 0.00 C ATOM 616 O LEU A 40 5.959 -6.545 -5.580 1.00 0.00 O ATOM 617 CB LEU A 40 4.002 -4.370 -4.112 1.00 0.00 C ATOM 618 CG LEU A 40 3.564 -4.927 -2.757 1.00 0.00 C ATOM 619 CD1 LEU A 40 4.084 -4.052 -1.627 1.00 0.00 C ATOM 620 CD2 LEU A 40 2.048 -5.036 -2.694 1.00 0.00 C ATOM 0 H LEU A 40 5.455 -4.277 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 40 6.075 -4.026 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.723 -3.317 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.442 -4.883 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 40 3.987 -5.925 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.762 -4.464 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.173 -4.022 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.690 -3.042 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.752 -5.434 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.606 -4.049 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.698 -5.703 -3.482 1.00 0.00 H new ATOM 632 N LEU A 41 6.183 -6.550 -3.340 1.00 0.00 N ATOM 633 CA LEU A 41 6.582 -7.956 -3.275 1.00 0.00 C ATOM 634 C LEU A 41 6.080 -8.623 -2.000 1.00 0.00 C ATOM 635 O LEU A 41 5.827 -7.959 -0.998 1.00 0.00 O ATOM 636 CB LEU A 41 8.110 -8.123 -3.400 1.00 0.00 C ATOM 637 CG LEU A 41 9.007 -7.461 -2.328 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.788 -6.309 -2.934 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.223 -6.980 -1.116 1.00 0.00 C ATOM 0 H LEU A 41 6.141 -6.080 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 41 6.117 -8.453 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.329 -9.191 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.409 -7.732 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 41 9.696 -8.229 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.415 -5.852 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.416 -6.681 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.094 -5.565 -3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.906 -6.525 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.483 -6.244 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.718 -7.826 -0.650 1.00 0.00 H new ATOM 651 N VAL A 42 5.940 -9.941 -2.046 1.00 0.00 N ATOM 652 CA VAL A 42 5.481 -10.692 -0.887 1.00 0.00 C ATOM 653 C VAL A 42 6.529 -11.710 -0.472 1.00 0.00 C ATOM 654 O VAL A 42 7.014 -12.490 -1.296 1.00 0.00 O ATOM 655 CB VAL A 42 4.127 -11.415 -1.140 1.00 0.00 C ATOM 656 CG1 VAL A 42 3.872 -12.515 -0.108 1.00 0.00 C ATOM 657 CG2 VAL A 42 2.972 -10.423 -1.133 1.00 0.00 C ATOM 0 H VAL A 42 6.137 -10.509 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 42 5.323 -9.969 -0.086 1.00 0.00 H new ATOM 0 HB VAL A 42 4.191 -11.879 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.917 -12.997 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.671 -13.255 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.846 -12.078 0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.036 -10.953 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.927 -9.924 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.125 -9.681 -1.917 1.00 0.00 H new ATOM 667 N SER A 43 6.851 -11.697 0.815 1.00 0.00 N ATOM 668 CA SER A 43 7.819 -12.617 1.386 1.00 0.00 C ATOM 669 C SER A 43 7.150 -13.429 2.485 1.00 0.00 C ATOM 670 O SER A 43 6.135 -13.010 3.040 1.00 0.00 O ATOM 671 CB SER A 43 9.020 -11.854 1.950 1.00 0.00 C ATOM 672 OG SER A 43 8.724 -11.301 3.221 1.00 0.00 O ATOM 0 H SER A 43 6.447 -11.048 1.490 1.00 0.00 H new ATOM 0 HA SER A 43 8.179 -13.287 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.875 -12.525 2.033 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.305 -11.058 1.262 1.00 0.00 H new ATOM 0 HG SER A 43 9.508 -10.820 3.559 1.00 0.00 H new ATOM 678 N THR A 44 7.701 -14.593 2.794 1.00 0.00 N ATOM 679 CA THR A 44 7.118 -15.444 3.821 1.00 0.00 C ATOM 680 C THR A 44 7.822 -15.259 5.159 1.00 0.00 C ATOM 681 O THR A 44 9.025 -15.485 5.282 1.00 0.00 O ATOM 682 CB THR A 44 7.167 -16.905 3.384 1.00 0.00 C ATOM 683 OG1 THR A 44 8.481 -17.424 3.494 1.00 0.00 O ATOM 684 CG2 THR A 44 6.708 -17.099 1.958 1.00 0.00 C ATOM 0 H THR A 44 8.542 -14.967 2.354 1.00 0.00 H new ATOM 0 HA THR A 44 6.076 -15.151 3.953 1.00 0.00 H new ATOM 0 HB THR A 44 6.488 -17.437 4.050 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.016 -16.840 4.071 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.763 -18.156 1.699 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.679 -16.753 1.857 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.350 -16.527 1.288 1.00 0.00 H new ATOM 692 N THR A 45 7.051 -14.835 6.157 1.00 0.00 N ATOM 693 CA THR A 45 7.580 -14.603 7.494 1.00 0.00 C ATOM 694 C THR A 45 7.030 -15.625 8.486 1.00 0.00 C ATOM 695 O THR A 45 7.718 -16.027 9.423 1.00 0.00 O ATOM 696 CB THR A 45 7.233 -13.184 7.958 1.00 0.00 C ATOM 697 OG1 THR A 45 7.382 -13.062 9.362 1.00 0.00 O ATOM 698 CG2 THR A 45 5.818 -12.764 7.607 1.00 0.00 C ATOM 0 H THR A 45 6.053 -14.645 6.062 1.00 0.00 H new ATOM 0 HA THR A 45 8.664 -14.714 7.455 1.00 0.00 H new ATOM 0 HB THR A 45 7.929 -12.532 7.429 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.157 -12.149 9.637 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.640 -11.750 7.965 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.687 -12.795 6.525 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.109 -13.445 8.078 1.00 0.00 H new ATOM 706 N THR A 46 5.785 -16.039 8.271 1.00 0.00 N ATOM 707 CA THR A 46 5.141 -17.014 9.146 1.00 0.00 C ATOM 708 C THR A 46 4.974 -16.453 10.556 1.00 0.00 C ATOM 709 O THR A 46 5.254 -17.134 11.544 1.00 0.00 O ATOM 710 CB THR A 46 5.957 -18.308 9.190 1.00 0.00 C ATOM 711 OG1 THR A 46 6.386 -18.674 7.890 1.00 0.00 O ATOM 712 CG2 THR A 46 5.193 -19.480 9.767 1.00 0.00 C ATOM 0 H THR A 46 5.202 -15.715 7.499 1.00 0.00 H new ATOM 0 HA THR A 46 4.152 -17.231 8.742 1.00 0.00 H new ATOM 0 HB THR A 46 6.804 -18.092 9.841 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.907 -19.502 7.939 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.830 -20.364 9.769 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.890 -19.249 10.788 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.308 -19.672 9.160 1.00 0.00 H new ATOM 720 N ALA A 47 4.516 -15.209 10.641 1.00 0.00 N ATOM 721 CA ALA A 47 4.311 -14.555 11.930 1.00 0.00 C ATOM 722 C ALA A 47 2.946 -13.878 11.991 1.00 0.00 C ATOM 723 O ALA A 47 2.331 -13.606 10.960 1.00 0.00 O ATOM 724 CB ALA A 47 5.417 -13.543 12.189 1.00 0.00 C ATOM 0 H ALA A 47 4.279 -14.633 9.833 1.00 0.00 H new ATOM 0 HA ALA A 47 4.343 -15.319 12.707 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.252 -13.063 13.153 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.381 -14.052 12.197 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.411 -12.789 11.402 1.00 0.00 H new ATOM 730 N HIS A 48 2.478 -13.609 13.206 1.00 0.00 N ATOM 731 CA HIS A 48 1.183 -12.963 13.401 1.00 0.00 C ATOM 732 C HIS A 48 1.144 -11.605 12.706 1.00 0.00 C ATOM 733 O HIS A 48 2.047 -10.785 12.873 1.00 0.00 O ATOM 734 CB HIS A 48 0.893 -12.794 14.893 1.00 0.00 C ATOM 735 CG HIS A 48 0.506 -14.069 15.576 1.00 0.00 C ATOM 736 ND1 HIS A 48 -0.140 -15.103 14.930 1.00 0.00 N ATOM 737 CD2 HIS A 48 0.677 -14.476 16.856 1.00 0.00 C ATOM 738 CE1 HIS A 48 -0.350 -16.089 15.783 1.00 0.00 C ATOM 739 NE2 HIS A 48 0.137 -15.734 16.958 1.00 0.00 N ATOM 0 H HIS A 48 2.975 -13.828 14.070 1.00 0.00 H new ATOM 0 HA HIS A 48 0.416 -13.600 12.960 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.776 -12.383 15.382 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.091 -12.066 15.019 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.150 -13.916 17.649 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -0.837 -17.026 15.558 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.115 -16.303 17.805 1.00 0.00 H new ATOM 748 N GLY A 49 0.093 -11.375 11.925 1.00 0.00 N ATOM 749 CA GLY A 49 -0.041 -10.116 11.215 1.00 0.00 C ATOM 750 C GLY A 49 -1.069 -9.197 11.846 1.00 0.00 C ATOM 751 O GLY A 49 -0.927 -7.975 11.803 1.00 0.00 O ATOM 0 H GLY A 49 -0.667 -12.037 11.771 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.925 -9.612 11.191 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.323 -10.315 10.181 1.00 0.00 H new ATOM 755 N CYS A 50 -2.107 -9.784 12.429 1.00 0.00 N ATOM 756 CA CYS A 50 -3.164 -9.008 13.066 1.00 0.00 C ATOM 757 C CYS A 50 -3.831 -8.065 12.065 1.00 0.00 C ATOM 758 O CYS A 50 -4.459 -7.079 12.453 1.00 0.00 O ATOM 759 CB CYS A 50 -2.599 -8.206 14.240 1.00 0.00 C ATOM 760 SG CYS A 50 -3.722 -8.067 15.649 1.00 0.00 S ATOM 0 H CYS A 50 -2.240 -10.794 12.474 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.916 -9.704 13.437 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.672 -8.674 14.573 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.344 -7.205 13.893 1.00 0.00 H new ATOM 0 HG CYS A 50 -3.153 -7.374 16.590 1.00 0.00 H new ATOM 766 N ASP A 51 -3.691 -8.373 10.779 1.00 0.00 N ATOM 767 CA ASP A 51 -4.282 -7.554 9.727 1.00 0.00 C ATOM 768 C ASP A 51 -5.069 -8.418 8.748 1.00 0.00 C ATOM 769 O ASP A 51 -4.619 -9.492 8.351 1.00 0.00 O ATOM 770 CB ASP A 51 -3.197 -6.776 8.980 1.00 0.00 C ATOM 771 CG ASP A 51 -2.372 -5.903 9.905 1.00 0.00 C ATOM 772 OD1 ASP A 51 -2.952 -4.999 10.543 1.00 0.00 O ATOM 773 OD2 ASP A 51 -1.145 -6.122 9.991 1.00 0.00 O ATOM 0 H ASP A 51 -3.173 -9.184 10.441 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.966 -6.846 10.195 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.540 -7.477 8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.661 -6.153 8.215 1.00 0.00 H new ATOM 778 N THR A 52 -6.244 -7.939 8.360 1.00 0.00 N ATOM 779 CA THR A 52 -7.095 -8.663 7.424 1.00 0.00 C ATOM 780 C THR A 52 -7.383 -7.808 6.197 1.00 0.00 C ATOM 781 O THR A 52 -7.944 -6.718 6.310 1.00 0.00 O ATOM 782 CB THR A 52 -8.407 -9.067 8.099 1.00 0.00 C ATOM 783 OG1 THR A 52 -8.158 -9.843 9.257 1.00 0.00 O ATOM 784 CG2 THR A 52 -9.322 -9.867 7.196 1.00 0.00 C ATOM 0 H THR A 52 -6.630 -7.051 8.680 1.00 0.00 H new ATOM 0 HA THR A 52 -6.570 -9.564 7.109 1.00 0.00 H new ATOM 0 HB THR A 52 -8.902 -8.130 8.353 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.009 -10.090 9.675 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.234 -10.121 7.736 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.574 -9.275 6.316 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.817 -10.782 6.885 1.00 0.00 H new ATOM 792 N ILE A 53 -6.995 -8.301 5.027 1.00 0.00 N ATOM 793 CA ILE A 53 -7.217 -7.565 3.790 1.00 0.00 C ATOM 794 C ILE A 53 -8.689 -7.591 3.407 1.00 0.00 C ATOM 795 O ILE A 53 -9.357 -8.618 3.537 1.00 0.00 O ATOM 796 CB ILE A 53 -6.400 -8.123 2.604 1.00 0.00 C ATOM 797 CG1 ILE A 53 -5.004 -8.603 3.045 1.00 0.00 C ATOM 798 CG2 ILE A 53 -6.295 -7.072 1.507 1.00 0.00 C ATOM 799 CD1 ILE A 53 -3.893 -7.586 2.853 1.00 0.00 C ATOM 0 H ILE A 53 -6.529 -9.200 4.910 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.887 -6.545 3.987 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.925 -8.994 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.046 -8.880 4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.752 -9.505 2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.718 -7.472 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.294 -6.806 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.798 -6.185 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.948 -8.011 3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.817 -7.325 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.115 -6.690 3.433 1.00 0.00 H new ATOM 811 N ALA A 54 -9.191 -6.459 2.936 1.00 0.00 N ATOM 812 CA ALA A 54 -10.584 -6.354 2.536 1.00 0.00 C ATOM 813 C ALA A 54 -10.760 -6.683 1.059 1.00 0.00 C ATOM 814 O ALA A 54 -10.170 -6.035 0.193 1.00 0.00 O ATOM 815 CB ALA A 54 -11.113 -4.960 2.837 1.00 0.00 C ATOM 0 H ALA A 54 -8.653 -5.600 2.822 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.157 -7.081 3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.158 -4.894 2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.033 -4.764 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.528 -4.222 2.288 1.00 0.00 H new ATOM 821 N ARG A 55 -11.584 -7.686 0.776 1.00 0.00 N ATOM 822 CA ARG A 55 -11.848 -8.091 -0.599 1.00 0.00 C ATOM 823 C ARG A 55 -13.104 -7.404 -1.123 1.00 0.00 C ATOM 824 O ARG A 55 -13.902 -8.005 -1.841 1.00 0.00 O ATOM 825 CB ARG A 55 -12.005 -9.611 -0.686 1.00 0.00 C ATOM 826 CG ARG A 55 -11.686 -10.176 -2.060 1.00 0.00 C ATOM 827 CD ARG A 55 -10.284 -9.794 -2.506 1.00 0.00 C ATOM 828 NE ARG A 55 -9.592 -10.907 -3.152 1.00 0.00 N ATOM 829 CZ ARG A 55 -9.751 -11.239 -4.431 1.00 0.00 C ATOM 830 NH1 ARG A 55 -10.584 -10.551 -5.206 1.00 0.00 N ATOM 831 NH2 ARG A 55 -9.078 -12.262 -4.940 1.00 0.00 N ATOM 0 H ARG A 55 -12.080 -8.233 1.480 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.001 -7.790 -1.216 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.352 -10.078 0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.028 -9.878 -0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.779 -11.262 -2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.413 -9.808 -2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.340 -8.952 -3.196 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.707 -9.461 -1.643 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.948 -11.463 -2.589 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.106 -9.764 -4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.701 -10.811 -6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.438 -12.795 -4.351 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.200 -12.516 -5.920 1.00 0.00 H new ATOM 845 N CYS A 56 -13.270 -6.140 -0.748 1.00 0.00 N ATOM 846 CA CYS A 56 -14.427 -5.360 -1.166 1.00 0.00 C ATOM 847 C CYS A 56 -14.078 -4.445 -2.336 1.00 0.00 C ATOM 848 O CYS A 56 -12.905 -4.251 -2.657 1.00 0.00 O ATOM 849 CB CYS A 56 -14.954 -4.531 0.006 1.00 0.00 C ATOM 850 SG CYS A 56 -13.690 -3.504 0.827 1.00 0.00 S ATOM 0 H CYS A 56 -12.615 -5.633 -0.153 1.00 0.00 H new ATOM 0 HA CYS A 56 -15.202 -6.053 -1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -15.754 -3.884 -0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -15.394 -5.203 0.743 1.00 0.00 H new ATOM 855 N GLN A 57 -15.104 -3.889 -2.970 1.00 0.00 N ATOM 856 CA GLN A 57 -14.908 -2.997 -4.107 1.00 0.00 C ATOM 857 C GLN A 57 -15.371 -1.580 -3.779 1.00 0.00 C ATOM 858 O GLN A 57 -15.811 -0.841 -4.661 1.00 0.00 O ATOM 859 CB GLN A 57 -15.662 -3.526 -5.330 1.00 0.00 C ATOM 860 CG GLN A 57 -14.792 -4.336 -6.277 1.00 0.00 C ATOM 861 CD GLN A 57 -14.400 -3.558 -7.518 1.00 0.00 C ATOM 862 OE1 GLN A 57 -14.126 -2.360 -7.453 1.00 0.00 O ATOM 863 NE2 GLN A 57 -14.373 -4.238 -8.658 1.00 0.00 N ATOM 0 H GLN A 57 -16.080 -4.040 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.842 -2.964 -4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -16.493 -4.146 -4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -16.091 -2.685 -5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.891 -4.655 -5.753 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.326 -5.239 -6.572 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.608 -5.231 -8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.118 -3.768 -9.526 1.00 0.00 H new ATOM 872 N CYS A 58 -15.269 -1.203 -2.508 1.00 0.00 N ATOM 873 CA CYS A 58 -15.676 0.128 -2.074 1.00 0.00 C ATOM 874 C CYS A 58 -14.884 1.204 -2.807 1.00 0.00 C ATOM 875 O CYS A 58 -13.839 0.928 -3.397 1.00 0.00 O ATOM 876 CB CYS A 58 -15.474 0.291 -0.565 1.00 0.00 C ATOM 877 SG CYS A 58 -16.353 -0.938 0.451 1.00 0.00 S ATOM 0 H CYS A 58 -14.909 -1.799 -1.763 1.00 0.00 H new ATOM 0 HA CYS A 58 -16.734 0.242 -2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.408 0.230 -0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -15.803 1.288 -0.273 1.00 0.00 H new ATOM 882 N THR A 59 -15.384 2.433 -2.757 1.00 0.00 N ATOM 883 CA THR A 59 -14.720 3.558 -3.407 1.00 0.00 C ATOM 884 C THR A 59 -14.281 4.600 -2.380 1.00 0.00 C ATOM 885 O THR A 59 -13.746 5.649 -2.738 1.00 0.00 O ATOM 886 CB THR A 59 -15.650 4.203 -4.435 1.00 0.00 C ATOM 887 OG1 THR A 59 -16.450 3.223 -5.073 1.00 0.00 O ATOM 888 CG2 THR A 59 -14.912 4.965 -5.515 1.00 0.00 C ATOM 0 H THR A 59 -16.248 2.677 -2.273 1.00 0.00 H new ATOM 0 HA THR A 59 -13.834 3.178 -3.916 1.00 0.00 H new ATOM 0 HB THR A 59 -16.262 4.906 -3.869 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.039 3.656 -5.726 1.00 0.00 H new ATOM 0 HG21 THR A 59 -15.631 5.397 -6.211 1.00 0.00 H new ATOM 0 HG22 THR A 59 -14.323 5.761 -5.060 1.00 0.00 H new ATOM 0 HG23 THR A 59 -14.250 4.286 -6.052 1.00 0.00 H new ATOM 896 N THR A 60 -14.511 4.307 -1.100 1.00 0.00 N ATOM 897 CA THR A 60 -14.139 5.222 -0.030 1.00 0.00 C ATOM 898 C THR A 60 -13.480 4.478 1.126 1.00 0.00 C ATOM 899 O THR A 60 -14.039 3.521 1.662 1.00 0.00 O ATOM 900 CB THR A 60 -15.369 5.980 0.472 1.00 0.00 C ATOM 901 OG1 THR A 60 -16.188 5.137 1.263 1.00 0.00 O ATOM 902 CG2 THR A 60 -16.227 6.535 -0.645 1.00 0.00 C ATOM 0 H THR A 60 -14.953 3.444 -0.783 1.00 0.00 H new ATOM 0 HA THR A 60 -13.419 5.934 -0.433 1.00 0.00 H new ATOM 0 HB THR A 60 -14.977 6.813 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 60 -15.658 4.380 1.591 1.00 0.00 H new ATOM 0 HG21 THR A 60 -17.082 7.061 -0.220 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.638 7.227 -1.247 1.00 0.00 H new ATOM 0 HG23 THR A 60 -16.580 5.717 -1.274 1.00 0.00 H new ATOM 910 N GLY A 61 -12.291 4.930 1.508 1.00 0.00 N ATOM 911 CA GLY A 61 -11.571 4.307 2.602 1.00 0.00 C ATOM 912 C GLY A 61 -10.995 5.330 3.559 1.00 0.00 C ATOM 913 O GLY A 61 -11.424 6.483 3.569 1.00 0.00 O ATOM 0 H GLY A 61 -11.811 5.720 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.242 3.641 3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.765 3.691 2.202 1.00 0.00 H new ATOM 917 N VAL A 62 -10.025 4.914 4.365 1.00 0.00 N ATOM 918 CA VAL A 62 -9.399 5.817 5.324 1.00 0.00 C ATOM 919 C VAL A 62 -7.894 5.579 5.405 1.00 0.00 C ATOM 920 O VAL A 62 -7.432 4.436 5.422 1.00 0.00 O ATOM 921 CB VAL A 62 -10.023 5.669 6.727 1.00 0.00 C ATOM 922 CG1 VAL A 62 -9.898 4.236 7.224 1.00 0.00 C ATOM 923 CG2 VAL A 62 -9.393 6.640 7.713 1.00 0.00 C ATOM 0 H VAL A 62 -9.656 3.963 4.374 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.577 6.832 4.969 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.083 5.913 6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.344 4.154 8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -10.415 3.566 6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.845 3.960 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.853 6.513 8.693 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.324 6.442 7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.551 7.662 7.368 1.00 0.00 H new ATOM 933 N TYR A 63 -7.138 6.671 5.458 1.00 0.00 N ATOM 934 CA TYR A 63 -5.685 6.598 5.544 1.00 0.00 C ATOM 935 C TYR A 63 -5.147 7.714 6.436 1.00 0.00 C ATOM 936 O TYR A 63 -5.502 8.881 6.265 1.00 0.00 O ATOM 937 CB TYR A 63 -5.061 6.680 4.143 1.00 0.00 C ATOM 938 CG TYR A 63 -4.993 8.082 3.572 1.00 0.00 C ATOM 939 CD1 TYR A 63 -4.008 8.972 3.986 1.00 0.00 C ATOM 940 CD2 TYR A 63 -5.909 8.514 2.620 1.00 0.00 C ATOM 941 CE1 TYR A 63 -3.940 10.252 3.468 1.00 0.00 C ATOM 942 CE2 TYR A 63 -5.844 9.792 2.097 1.00 0.00 C ATOM 943 CZ TYR A 63 -4.860 10.656 2.524 1.00 0.00 C ATOM 944 OH TYR A 63 -4.795 11.930 2.006 1.00 0.00 O ATOM 0 H TYR A 63 -7.510 7.621 5.443 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.412 5.641 5.988 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.053 6.267 4.182 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.637 6.051 3.464 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.285 8.658 4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.684 7.841 2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.170 10.932 3.801 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.562 10.112 1.356 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.514 12.054 1.352 1.00 0.00 H new ATOM 954 N PHE A 64 -4.297 7.352 7.390 1.00 0.00 N ATOM 955 CA PHE A 64 -3.721 8.330 8.305 1.00 0.00 C ATOM 956 C PHE A 64 -2.927 9.387 7.545 1.00 0.00 C ATOM 957 O PHE A 64 -2.139 9.065 6.655 1.00 0.00 O ATOM 958 CB PHE A 64 -2.827 7.637 9.336 1.00 0.00 C ATOM 959 CG PHE A 64 -1.583 7.035 8.748 1.00 0.00 C ATOM 960 CD1 PHE A 64 -1.619 5.791 8.143 1.00 0.00 C ATOM 961 CD2 PHE A 64 -0.378 7.715 8.804 1.00 0.00 C ATOM 962 CE1 PHE A 64 -0.475 5.235 7.602 1.00 0.00 C ATOM 963 CE2 PHE A 64 0.770 7.165 8.264 1.00 0.00 C ATOM 964 CZ PHE A 64 0.720 5.924 7.663 1.00 0.00 C ATOM 0 H PHE A 64 -3.992 6.392 7.550 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.539 8.826 8.827 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.544 8.359 10.102 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.400 6.854 9.832 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.551 5.248 8.093 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.334 8.686 9.275 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.516 4.263 7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.704 7.706 8.313 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.615 5.492 7.241 1.00 0.00 H new ATOM 974 N CYS A 65 -3.142 10.649 7.899 1.00 0.00 N ATOM 975 CA CYS A 65 -2.449 11.755 7.248 1.00 0.00 C ATOM 976 C CYS A 65 -0.969 11.773 7.623 1.00 0.00 C ATOM 977 O CYS A 65 -0.569 11.202 8.638 1.00 0.00 O ATOM 978 CB CYS A 65 -3.103 13.086 7.628 1.00 0.00 C ATOM 979 SG CYS A 65 -3.959 13.903 6.261 1.00 0.00 S ATOM 0 H CYS A 65 -3.791 10.932 8.633 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.526 11.614 6.170 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.814 12.912 8.436 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.337 13.757 8.016 1.00 0.00 H new ATOM 0 HG CYS A 65 -5.241 13.723 6.382 1.00 0.00 H new ATOM 985 N ALA A 66 -0.163 12.432 6.796 1.00 0.00 N ATOM 986 CA ALA A 66 1.271 12.526 7.040 1.00 0.00 C ATOM 987 C ALA A 66 1.574 13.489 8.182 1.00 0.00 C ATOM 988 O ALA A 66 2.381 13.191 9.061 1.00 0.00 O ATOM 989 CB ALA A 66 1.993 12.963 5.773 1.00 0.00 C ATOM 0 H ALA A 66 -0.479 12.908 5.951 1.00 0.00 H new ATOM 0 HA ALA A 66 1.630 11.538 7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.063 13.029 5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.813 12.235 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.620 13.938 5.460 1.00 0.00 H new ATOM 995 N SER A 67 0.918 14.646 8.164 1.00 0.00 N ATOM 996 CA SER A 67 1.115 15.652 9.201 1.00 0.00 C ATOM 997 C SER A 67 0.210 15.378 10.397 1.00 0.00 C ATOM 998 O SER A 67 0.637 15.475 11.548 1.00 0.00 O ATOM 999 CB SER A 67 0.838 17.049 8.646 1.00 0.00 C ATOM 1000 OG SER A 67 1.939 17.529 7.894 1.00 0.00 O ATOM 0 H SER A 67 0.246 14.909 7.443 1.00 0.00 H new ATOM 0 HA SER A 67 2.152 15.601 9.531 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.052 17.023 8.017 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.628 17.735 9.467 1.00 0.00 H new ATOM 0 HG SER A 67 1.735 18.423 7.549 1.00 0.00 H new ATOM 1006 N LYS A 68 -1.040 15.028 10.114 1.00 0.00 N ATOM 1007 CA LYS A 68 -2.008 14.733 11.163 1.00 0.00 C ATOM 1008 C LYS A 68 -1.829 13.307 11.675 1.00 0.00 C ATOM 1009 O LYS A 68 -1.782 12.359 10.890 1.00 0.00 O ATOM 1010 CB LYS A 68 -3.432 14.926 10.639 1.00 0.00 C ATOM 1011 CG LYS A 68 -3.796 16.380 10.384 1.00 0.00 C ATOM 1012 CD LYS A 68 -4.979 16.821 11.232 1.00 0.00 C ATOM 1013 CE LYS A 68 -5.366 18.262 10.943 1.00 0.00 C ATOM 1014 NZ LYS A 68 -5.751 18.993 12.182 1.00 0.00 N ATOM 0 H LYS A 68 -1.406 14.942 9.166 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.838 15.423 11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.548 14.363 9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.135 14.505 11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.936 17.014 10.601 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.034 16.516 9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.830 16.169 11.038 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.731 16.715 12.288 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.531 18.773 10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.197 18.280 10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.008 19.972 11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.564 18.520 12.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.950 18.998 12.845 1.00 0.00 H new ATOM 1028 N SER A 69 -1.732 13.158 12.992 1.00 0.00 N ATOM 1029 CA SER A 69 -1.560 11.843 13.602 1.00 0.00 C ATOM 1030 C SER A 69 -2.914 11.183 13.852 1.00 0.00 C ATOM 1031 O SER A 69 -3.195 10.709 14.953 1.00 0.00 O ATOM 1032 CB SER A 69 -0.784 11.963 14.915 1.00 0.00 C ATOM 1033 OG SER A 69 0.126 10.887 15.070 1.00 0.00 O ATOM 0 H SER A 69 -1.769 13.930 13.657 1.00 0.00 H new ATOM 0 HA SER A 69 -0.992 11.218 12.912 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.241 12.908 14.935 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.481 11.978 15.753 1.00 0.00 H new ATOM 0 HG SER A 69 0.611 10.988 15.916 1.00 0.00 H new ATOM 1039 N LYS A 70 -3.750 11.164 12.819 1.00 0.00 N ATOM 1040 CA LYS A 70 -5.078 10.573 12.911 1.00 0.00 C ATOM 1041 C LYS A 70 -5.478 9.940 11.583 1.00 0.00 C ATOM 1042 O LYS A 70 -4.806 10.128 10.568 1.00 0.00 O ATOM 1043 CB LYS A 70 -6.109 11.632 13.310 1.00 0.00 C ATOM 1044 CG LYS A 70 -5.694 12.468 14.510 1.00 0.00 C ATOM 1045 CD LYS A 70 -4.956 13.728 14.084 1.00 0.00 C ATOM 1046 CE LYS A 70 -5.852 14.953 14.155 1.00 0.00 C ATOM 1047 NZ LYS A 70 -5.186 16.089 14.851 1.00 0.00 N ATOM 0 H LYS A 70 -3.528 11.554 11.903 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.051 9.798 13.677 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.285 12.293 12.461 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.056 11.139 13.532 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.577 12.740 15.088 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.055 11.875 15.164 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.087 13.875 14.725 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.585 13.606 13.066 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.130 15.258 13.146 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.774 14.698 14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.810 16.921 14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.989 15.824 15.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.293 16.316 14.369 1.00 0.00 H new ATOM 1061 N HIS A 71 -6.576 9.192 11.596 1.00 0.00 N ATOM 1062 CA HIS A 71 -7.066 8.534 10.392 1.00 0.00 C ATOM 1063 C HIS A 71 -7.908 9.506 9.570 1.00 0.00 C ATOM 1064 O HIS A 71 -8.674 10.296 10.123 1.00 0.00 O ATOM 1065 CB HIS A 71 -7.884 7.295 10.760 1.00 0.00 C ATOM 1066 CG HIS A 71 -9.174 7.608 11.456 1.00 0.00 C ATOM 1067 ND1 HIS A 71 -9.319 7.569 12.826 1.00 0.00 N ATOM 1068 CD2 HIS A 71 -10.383 7.965 10.961 1.00 0.00 C ATOM 1069 CE1 HIS A 71 -10.560 7.888 13.145 1.00 0.00 C ATOM 1070 NE2 HIS A 71 -11.226 8.134 12.032 1.00 0.00 N ATOM 0 H HIS A 71 -7.143 9.027 12.428 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.213 8.217 9.791 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.099 6.730 9.853 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -7.282 6.651 11.402 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.637 8.093 9.919 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.962 7.939 14.146 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -12.208 8.406 11.976 1.00 0.00 H new ATOM 1079 N TYR A 72 -7.743 9.463 8.252 1.00 0.00 N ATOM 1080 CA TYR A 72 -8.473 10.362 7.365 1.00 0.00 C ATOM 1081 C TYR A 72 -9.269 9.592 6.315 1.00 0.00 C ATOM 1082 O TYR A 72 -8.688 8.951 5.439 1.00 0.00 O ATOM 1083 CB TYR A 72 -7.485 11.296 6.654 1.00 0.00 C ATOM 1084 CG TYR A 72 -7.401 12.685 7.248 1.00 0.00 C ATOM 1085 CD1 TYR A 72 -6.883 12.888 8.521 1.00 0.00 C ATOM 1086 CD2 TYR A 72 -7.830 13.794 6.527 1.00 0.00 C ATOM 1087 CE1 TYR A 72 -6.796 14.158 9.061 1.00 0.00 C ATOM 1088 CE2 TYR A 72 -7.746 15.066 7.060 1.00 0.00 C ATOM 1089 CZ TYR A 72 -7.228 15.243 8.326 1.00 0.00 C ATOM 1090 OH TYR A 72 -7.141 16.509 8.860 1.00 0.00 O ATOM 0 H TYR A 72 -7.113 8.818 7.776 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.171 10.936 7.974 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.494 10.843 6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.772 11.379 5.606 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.543 12.041 9.098 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.235 13.659 5.535 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.392 14.300 10.053 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.084 15.917 6.488 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.486 17.161 8.214 1.00 0.00 H new ATOM 1100 N PRO A 73 -10.611 9.659 6.363 1.00 0.00 N ATOM 1101 CA PRO A 73 -11.461 8.983 5.386 1.00 0.00 C ATOM 1102 C PRO A 73 -11.383 9.686 4.037 1.00 0.00 C ATOM 1103 O PRO A 73 -11.678 10.877 3.933 1.00 0.00 O ATOM 1104 CB PRO A 73 -12.875 9.094 5.978 1.00 0.00 C ATOM 1105 CG PRO A 73 -12.693 9.630 7.362 1.00 0.00 C ATOM 1106 CD PRO A 73 -11.409 10.405 7.343 1.00 0.00 C ATOM 0 HA PRO A 73 -11.163 7.949 5.211 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.499 9.758 5.380 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.369 8.123 5.996 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.529 10.269 7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.649 8.821 8.091 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.563 11.440 7.039 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.933 10.428 8.323 1.00 0.00 H new ATOM 1114 N VAL A 74 -10.956 8.960 3.014 1.00 0.00 N ATOM 1115 CA VAL A 74 -10.811 9.540 1.688 1.00 0.00 C ATOM 1116 C VAL A 74 -11.431 8.661 0.604 1.00 0.00 C ATOM 1117 O VAL A 74 -11.328 7.435 0.644 1.00 0.00 O ATOM 1118 CB VAL A 74 -9.320 9.773 1.362 1.00 0.00 C ATOM 1119 CG1 VAL A 74 -9.122 10.134 -0.096 1.00 0.00 C ATOM 1120 CG2 VAL A 74 -8.738 10.850 2.261 1.00 0.00 C ATOM 0 H VAL A 74 -10.705 7.973 3.076 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.343 10.492 1.699 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.790 8.839 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.061 10.291 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.490 9.323 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.672 11.047 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.687 11.000 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.282 11.783 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.827 10.542 3.303 1.00 0.00 H new ATOM 1130 N SER A 75 -12.050 9.310 -0.378 1.00 0.00 N ATOM 1131 CA SER A 75 -12.663 8.608 -1.497 1.00 0.00 C ATOM 1132 C SER A 75 -11.669 8.529 -2.648 1.00 0.00 C ATOM 1133 O SER A 75 -11.184 9.553 -3.128 1.00 0.00 O ATOM 1134 CB SER A 75 -13.938 9.322 -1.949 1.00 0.00 C ATOM 1135 OG SER A 75 -13.665 10.662 -2.326 1.00 0.00 O ATOM 0 H SER A 75 -12.140 10.325 -0.420 1.00 0.00 H new ATOM 0 HA SER A 75 -12.933 7.601 -1.179 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.380 8.787 -2.790 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.671 9.310 -1.142 1.00 0.00 H new ATOM 0 HG SER A 75 -12.747 10.727 -2.662 1.00 0.00 H new ATOM 1141 N PHE A 76 -11.343 7.315 -3.071 1.00 0.00 N ATOM 1142 CA PHE A 76 -10.377 7.128 -4.149 1.00 0.00 C ATOM 1143 C PHE A 76 -10.944 6.285 -5.284 1.00 0.00 C ATOM 1144 O PHE A 76 -11.955 5.601 -5.132 1.00 0.00 O ATOM 1145 CB PHE A 76 -9.090 6.477 -3.617 1.00 0.00 C ATOM 1146 CG PHE A 76 -9.122 6.156 -2.148 1.00 0.00 C ATOM 1147 CD1 PHE A 76 -9.958 5.167 -1.658 1.00 0.00 C ATOM 1148 CD2 PHE A 76 -8.315 6.849 -1.260 1.00 0.00 C ATOM 1149 CE1 PHE A 76 -9.991 4.876 -0.308 1.00 0.00 C ATOM 1150 CE2 PHE A 76 -8.343 6.561 0.090 1.00 0.00 C ATOM 1151 CZ PHE A 76 -9.182 5.574 0.568 1.00 0.00 C ATOM 0 H PHE A 76 -11.728 6.451 -2.689 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.148 8.117 -4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.904 5.559 -4.174 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.251 7.144 -3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.591 4.617 -2.339 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.657 7.623 -1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.649 4.104 0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.709 7.108 0.772 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.206 5.348 1.624 1.00 0.00 H new ATOM 1161 N GLU A 77 -10.257 6.335 -6.418 1.00 0.00 N ATOM 1162 CA GLU A 77 -10.640 5.578 -7.599 1.00 0.00 C ATOM 1163 C GLU A 77 -9.601 4.497 -7.858 1.00 0.00 C ATOM 1164 O GLU A 77 -8.478 4.593 -7.367 1.00 0.00 O ATOM 1165 CB GLU A 77 -10.760 6.499 -8.815 1.00 0.00 C ATOM 1166 CG GLU A 77 -12.169 7.025 -9.043 1.00 0.00 C ATOM 1167 CD GLU A 77 -12.339 7.660 -10.409 1.00 0.00 C ATOM 1168 OE1 GLU A 77 -12.020 6.995 -11.417 1.00 0.00 O ATOM 1169 OE2 GLU A 77 -12.792 8.822 -10.470 1.00 0.00 O ATOM 0 H GLU A 77 -9.419 6.902 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.612 5.116 -7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.082 7.343 -8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.435 5.958 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.881 6.206 -8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.408 7.758 -8.273 1.00 0.00 H new ATOM 1176 N GLY A 78 -9.976 3.462 -8.602 1.00 0.00 N ATOM 1177 CA GLY A 78 -9.046 2.379 -8.875 1.00 0.00 C ATOM 1178 C GLY A 78 -8.477 2.402 -10.285 1.00 0.00 C ATOM 1179 O GLY A 78 -8.728 1.483 -11.067 1.00 0.00 O ATOM 0 H GLY A 78 -10.900 3.353 -9.019 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.224 2.429 -8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.552 1.428 -8.713 1.00 0.00 H new ATOM 1183 N PRO A 79 -7.690 3.434 -10.646 1.00 0.00 N ATOM 1184 CA PRO A 79 -7.086 3.533 -11.977 1.00 0.00 C ATOM 1185 C PRO A 79 -6.026 2.462 -12.207 1.00 0.00 C ATOM 1186 O PRO A 79 -5.192 2.195 -11.334 1.00 0.00 O ATOM 1187 CB PRO A 79 -6.447 4.923 -11.986 1.00 0.00 C ATOM 1188 CG PRO A 79 -6.217 5.249 -10.552 1.00 0.00 C ATOM 1189 CD PRO A 79 -7.322 4.575 -9.789 1.00 0.00 C ATOM 0 HA PRO A 79 -7.823 3.388 -12.767 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -5.512 4.924 -12.546 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -7.102 5.656 -12.457 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -5.241 4.891 -10.223 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -6.233 6.327 -10.390 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.987 4.246 -8.805 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.166 5.246 -9.630 1.00 0.00 H new ATOM 1197 N GLY A 80 -6.061 1.852 -13.387 1.00 0.00 N ATOM 1198 CA GLY A 80 -5.099 0.819 -13.716 1.00 0.00 C ATOM 1199 C GLY A 80 -3.676 1.338 -13.712 1.00 0.00 C ATOM 1200 O GLY A 80 -2.984 1.264 -12.698 1.00 0.00 O ATOM 0 H GLY A 80 -6.739 2.055 -14.121 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.188 0.002 -13.000 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.331 0.409 -14.699 1.00 0.00 H new ATOM 1204 N LEU A 81 -3.237 1.865 -14.850 1.00 0.00 N ATOM 1205 CA LEU A 81 -1.886 2.395 -14.971 1.00 0.00 C ATOM 1206 C LEU A 81 -1.836 3.879 -14.623 1.00 0.00 C ATOM 1207 O LEU A 81 -2.475 4.702 -15.278 1.00 0.00 O ATOM 1208 CB LEU A 81 -1.356 2.188 -16.386 1.00 0.00 C ATOM 1209 CG LEU A 81 0.112 1.760 -16.473 1.00 0.00 C ATOM 1210 CD1 LEU A 81 0.982 2.551 -15.505 1.00 0.00 C ATOM 1211 CD2 LEU A 81 0.248 0.269 -16.218 1.00 0.00 C ATOM 0 H LEU A 81 -3.797 1.936 -15.700 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.258 1.852 -14.264 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.968 1.434 -16.880 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.482 3.116 -16.944 1.00 0.00 H new ATOM 0 HG LEU A 81 0.461 1.975 -17.483 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.017 2.221 -15.594 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.918 3.613 -15.743 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.635 2.386 -14.485 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.298 -0.017 -16.284 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.130 0.034 -15.223 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.326 -0.281 -16.964 1.00 0.00 H new ATOM 1223 N VAL A 82 -1.054 4.217 -13.603 1.00 0.00 N ATOM 1224 CA VAL A 82 -0.900 5.605 -13.189 1.00 0.00 C ATOM 1225 C VAL A 82 0.575 5.964 -13.080 1.00 0.00 C ATOM 1226 O VAL A 82 1.326 5.330 -12.339 1.00 0.00 O ATOM 1227 CB VAL A 82 -1.593 5.884 -11.840 1.00 0.00 C ATOM 1228 CG1 VAL A 82 -1.565 7.372 -11.526 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -3.022 5.364 -11.861 1.00 0.00 C ATOM 0 H VAL A 82 -0.518 3.549 -13.049 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.376 6.222 -13.951 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.050 5.359 -11.054 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.058 7.552 -10.571 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.531 7.713 -11.470 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.086 7.920 -12.312 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.498 5.568 -10.902 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.579 5.861 -12.655 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.015 4.289 -12.041 1.00 0.00 H new ATOM 1239 N GLU A 83 0.987 6.979 -13.828 1.00 0.00 N ATOM 1240 CA GLU A 83 2.374 7.417 -13.818 1.00 0.00 C ATOM 1241 C GLU A 83 2.693 8.175 -12.538 1.00 0.00 C ATOM 1242 O GLU A 83 2.252 9.309 -12.351 1.00 0.00 O ATOM 1243 CB GLU A 83 2.661 8.300 -15.034 1.00 0.00 C ATOM 1244 CG GLU A 83 1.857 9.591 -15.051 1.00 0.00 C ATOM 1245 CD GLU A 83 1.799 10.223 -16.429 1.00 0.00 C ATOM 1246 OE1 GLU A 83 0.900 9.855 -17.213 1.00 0.00 O ATOM 1247 OE2 GLU A 83 2.652 11.087 -16.722 1.00 0.00 O ATOM 0 H GLU A 83 0.380 7.514 -14.449 1.00 0.00 H new ATOM 0 HA GLU A 83 3.009 6.533 -13.863 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.723 8.543 -15.054 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.446 7.736 -15.941 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.843 9.388 -14.705 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.298 10.299 -14.349 1.00 0.00 H new ATOM 1254 N VAL A 84 3.467 7.547 -11.660 1.00 0.00 N ATOM 1255 CA VAL A 84 3.844 8.175 -10.404 1.00 0.00 C ATOM 1256 C VAL A 84 4.863 9.278 -10.652 1.00 0.00 C ATOM 1257 O VAL A 84 5.906 9.043 -11.262 1.00 0.00 O ATOM 1258 CB VAL A 84 4.426 7.154 -9.407 1.00 0.00 C ATOM 1259 CG1 VAL A 84 3.392 6.094 -9.063 1.00 0.00 C ATOM 1260 CG2 VAL A 84 5.689 6.515 -9.968 1.00 0.00 C ATOM 0 H VAL A 84 3.843 6.609 -11.796 1.00 0.00 H new ATOM 0 HA VAL A 84 2.940 8.599 -9.968 1.00 0.00 H new ATOM 0 HB VAL A 84 4.691 7.682 -8.491 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.821 5.382 -8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.520 6.569 -8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.092 5.570 -9.971 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.084 5.797 -9.249 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.454 6.002 -10.901 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.435 7.287 -10.157 1.00 0.00 H new ATOM 1270 N GLN A 85 4.541 10.481 -10.187 1.00 0.00 N ATOM 1271 CA GLN A 85 5.412 11.639 -10.366 1.00 0.00 C ATOM 1272 C GLN A 85 6.681 11.511 -9.535 1.00 0.00 C ATOM 1273 O GLN A 85 6.681 10.889 -8.472 1.00 0.00 O ATOM 1274 CB GLN A 85 4.669 12.921 -9.987 1.00 0.00 C ATOM 1275 CG GLN A 85 4.193 12.945 -8.544 1.00 0.00 C ATOM 1276 CD GLN A 85 3.744 14.324 -8.101 1.00 0.00 C ATOM 1277 OE1 GLN A 85 4.320 14.911 -7.185 1.00 0.00 O ATOM 1278 NE2 GLN A 85 2.711 14.846 -8.749 1.00 0.00 N ATOM 0 H GLN A 85 3.678 10.680 -9.681 1.00 0.00 H new ATOM 0 HA GLN A 85 5.697 11.684 -11.417 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.324 13.775 -10.159 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.809 13.041 -10.646 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.368 12.243 -8.426 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.998 12.603 -7.894 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.264 14.323 -9.502 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.363 15.770 -8.494 1.00 0.00 H new ATOM 1287 N GLU A 86 7.764 12.100 -10.032 1.00 0.00 N ATOM 1288 CA GLU A 86 9.044 12.047 -9.342 1.00 0.00 C ATOM 1289 C GLU A 86 8.996 12.854 -8.050 1.00 0.00 C ATOM 1290 O GLU A 86 9.057 14.083 -8.069 1.00 0.00 O ATOM 1291 CB GLU A 86 10.159 12.578 -10.245 1.00 0.00 C ATOM 1292 CG GLU A 86 9.809 13.885 -10.939 1.00 0.00 C ATOM 1293 CD GLU A 86 11.036 14.682 -11.336 1.00 0.00 C ATOM 1294 OE1 GLU A 86 11.564 15.424 -10.480 1.00 0.00 O ATOM 1295 OE2 GLU A 86 11.471 14.563 -12.500 1.00 0.00 O ATOM 0 H GLU A 86 7.779 12.619 -10.910 1.00 0.00 H new ATOM 0 HA GLU A 86 9.252 11.006 -9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.060 12.723 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.393 11.827 -10.999 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.215 13.672 -11.828 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.187 14.488 -10.277 1.00 0.00 H new ATOM 1302 N SER A 87 8.879 12.152 -6.927 1.00 0.00 N ATOM 1303 CA SER A 87 8.815 12.804 -5.623 1.00 0.00 C ATOM 1304 C SER A 87 9.544 11.990 -4.557 1.00 0.00 C ATOM 1305 O SER A 87 9.685 10.775 -4.678 1.00 0.00 O ATOM 1306 CB SER A 87 7.358 13.016 -5.209 1.00 0.00 C ATOM 1307 OG SER A 87 6.888 14.286 -5.628 1.00 0.00 O ATOM 0 H SER A 87 8.827 11.134 -6.893 1.00 0.00 H new ATOM 0 HA SER A 87 9.311 13.771 -5.710 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.736 12.233 -5.643 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.268 12.931 -4.126 1.00 0.00 H new ATOM 0 HG SER A 87 6.032 14.181 -6.094 1.00 0.00 H new ATOM 1313 N GLU A 88 9.993 12.675 -3.507 1.00 0.00 N ATOM 1314 CA GLU A 88 10.699 12.029 -2.404 1.00 0.00 C ATOM 1315 C GLU A 88 11.967 11.326 -2.888 1.00 0.00 C ATOM 1316 O GLU A 88 13.070 11.854 -2.741 1.00 0.00 O ATOM 1317 CB GLU A 88 9.774 11.038 -1.691 1.00 0.00 C ATOM 1318 CG GLU A 88 9.979 10.993 -0.185 1.00 0.00 C ATOM 1319 CD GLU A 88 8.681 11.130 0.587 1.00 0.00 C ATOM 1320 OE1 GLU A 88 8.141 12.255 0.645 1.00 0.00 O ATOM 1321 OE2 GLU A 88 8.204 10.112 1.131 1.00 0.00 O ATOM 0 H GLU A 88 9.879 13.683 -3.398 1.00 0.00 H new ATOM 0 HA GLU A 88 10.999 12.803 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.738 11.304 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.936 10.042 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.459 10.052 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.658 11.793 0.109 1.00 0.00 H new ATOM 1328 N TYR A 89 11.809 10.138 -3.463 1.00 0.00 N ATOM 1329 CA TYR A 89 12.945 9.372 -3.964 1.00 0.00 C ATOM 1330 C TYR A 89 12.509 8.393 -5.050 1.00 0.00 C ATOM 1331 O TYR A 89 13.170 7.383 -5.290 1.00 0.00 O ATOM 1332 CB TYR A 89 13.620 8.613 -2.819 1.00 0.00 C ATOM 1333 CG TYR A 89 12.644 7.939 -1.882 1.00 0.00 C ATOM 1334 CD1 TYR A 89 11.761 6.972 -2.345 1.00 0.00 C ATOM 1335 CD2 TYR A 89 12.606 8.271 -0.533 1.00 0.00 C ATOM 1336 CE1 TYR A 89 10.865 6.355 -1.491 1.00 0.00 C ATOM 1337 CE2 TYR A 89 11.714 7.658 0.327 1.00 0.00 C ATOM 1338 CZ TYR A 89 10.847 6.701 -0.156 1.00 0.00 C ATOM 1339 OH TYR A 89 9.957 6.090 0.697 1.00 0.00 O ATOM 0 H TYR A 89 10.905 9.685 -3.594 1.00 0.00 H new ATOM 0 HA TYR A 89 13.658 10.073 -4.398 1.00 0.00 H new ATOM 0 HB2 TYR A 89 14.288 7.860 -3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 89 14.238 9.307 -2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 89 11.774 6.697 -3.389 1.00 0.00 H new ATOM 0 HD2 TYR A 89 13.284 9.020 -0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.183 5.607 -1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.696 7.928 1.373 1.00 0.00 H new ATOM 0 HH TYR A 89 10.223 6.261 1.625 1.00 0.00 H new ATOM 1349 N TYR A 90 11.395 8.701 -5.707 1.00 0.00 N ATOM 1350 CA TYR A 90 10.872 7.852 -6.769 1.00 0.00 C ATOM 1351 C TYR A 90 10.813 8.625 -8.085 1.00 0.00 C ATOM 1352 O TYR A 90 10.292 9.739 -8.126 1.00 0.00 O ATOM 1353 CB TYR A 90 9.478 7.338 -6.399 1.00 0.00 C ATOM 1354 CG TYR A 90 9.383 5.830 -6.336 1.00 0.00 C ATOM 1355 CD1 TYR A 90 10.109 5.107 -5.398 1.00 0.00 C ATOM 1356 CD2 TYR A 90 8.565 5.129 -7.214 1.00 0.00 C ATOM 1357 CE1 TYR A 90 10.022 3.730 -5.336 1.00 0.00 C ATOM 1358 CE2 TYR A 90 8.472 3.752 -7.158 1.00 0.00 C ATOM 1359 CZ TYR A 90 9.203 3.057 -6.217 1.00 0.00 C ATOM 1360 OH TYR A 90 9.115 1.685 -6.159 1.00 0.00 O ATOM 0 H TYR A 90 10.837 9.534 -5.521 1.00 0.00 H new ATOM 0 HA TYR A 90 11.540 6.999 -6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.193 7.752 -5.432 1.00 0.00 H new ATOM 0 HB3 TYR A 90 8.758 7.708 -7.129 1.00 0.00 H new ATOM 0 HD1 TYR A 90 10.752 5.630 -4.706 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.992 5.670 -7.953 1.00 0.00 H new ATOM 0 HE1 TYR A 90 10.593 3.183 -4.600 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.831 3.223 -7.847 1.00 0.00 H new ATOM 0 HH TYR A 90 8.509 1.426 -5.434 1.00 0.00 H new ATOM 1370 N PRO A 91 11.351 8.048 -9.176 1.00 0.00 N ATOM 1371 CA PRO A 91 11.360 8.690 -10.491 1.00 0.00 C ATOM 1372 C PRO A 91 10.058 8.476 -11.259 1.00 0.00 C ATOM 1373 O PRO A 91 9.402 7.446 -11.108 1.00 0.00 O ATOM 1374 CB PRO A 91 12.516 7.990 -11.197 1.00 0.00 C ATOM 1375 CG PRO A 91 12.524 6.611 -10.627 1.00 0.00 C ATOM 1376 CD PRO A 91 12.002 6.723 -9.214 1.00 0.00 C ATOM 0 HA PRO A 91 11.465 9.773 -10.421 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.369 7.972 -12.277 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.461 8.501 -11.013 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.898 5.944 -11.219 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.531 6.194 -10.636 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.296 5.925 -8.985 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.809 6.654 -8.484 1.00 0.00 H new ATOM 1384 N LYS A 92 9.688 9.459 -12.081 1.00 0.00 N ATOM 1385 CA LYS A 92 8.463 9.384 -12.878 1.00 0.00 C ATOM 1386 C LYS A 92 8.348 8.034 -13.583 1.00 0.00 C ATOM 1387 O LYS A 92 8.873 7.851 -14.681 1.00 0.00 O ATOM 1388 CB LYS A 92 8.433 10.514 -13.908 1.00 0.00 C ATOM 1389 CG LYS A 92 7.086 10.676 -14.597 1.00 0.00 C ATOM 1390 CD LYS A 92 6.399 11.971 -14.190 1.00 0.00 C ATOM 1391 CE LYS A 92 6.428 12.997 -15.312 1.00 0.00 C ATOM 1392 NZ LYS A 92 7.464 14.042 -15.084 1.00 0.00 N ATOM 0 H LYS A 92 10.221 10.319 -12.212 1.00 0.00 H new ATOM 0 HA LYS A 92 7.614 9.491 -12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.694 11.450 -13.415 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.197 10.327 -14.662 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.226 10.662 -15.678 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.445 9.830 -14.348 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.366 11.764 -13.913 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.890 12.382 -13.308 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.623 12.494 -16.259 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.449 13.469 -15.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.451 14.722 -15.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.264 14.540 -14.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.401 13.595 -15.028 1.00 0.00 H new ATOM 1406 N ARG A 93 7.671 7.085 -12.939 1.00 0.00 N ATOM 1407 CA ARG A 93 7.508 5.748 -13.509 1.00 0.00 C ATOM 1408 C ARG A 93 6.038 5.348 -13.630 1.00 0.00 C ATOM 1409 O ARG A 93 5.157 5.980 -13.048 1.00 0.00 O ATOM 1410 CB ARG A 93 8.256 4.718 -12.663 1.00 0.00 C ATOM 1411 CG ARG A 93 9.769 4.828 -12.773 1.00 0.00 C ATOM 1412 CD ARG A 93 10.432 3.459 -12.773 1.00 0.00 C ATOM 1413 NE ARG A 93 11.386 3.315 -13.871 1.00 0.00 N ATOM 1414 CZ ARG A 93 12.356 2.404 -13.896 1.00 0.00 C ATOM 1415 NH1 ARG A 93 12.506 1.556 -12.886 1.00 0.00 N ATOM 1416 NH2 ARG A 93 13.180 2.341 -14.932 1.00 0.00 N ATOM 0 H ARG A 93 7.229 7.215 -12.029 1.00 0.00 H new ATOM 0 HA ARG A 93 7.928 5.773 -14.514 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.966 4.837 -11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.949 3.717 -12.967 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.030 5.359 -13.688 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.153 5.419 -11.941 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.945 3.304 -11.824 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.668 2.686 -12.852 1.00 0.00 H new ATOM 0 HE ARG A 93 11.303 3.950 -14.665 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.876 1.600 -12.085 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.251 0.860 -12.911 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.071 2.991 -15.711 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.923 1.643 -14.951 1.00 0.00 H new ATOM 1430 N TYR A 94 5.791 4.282 -14.390 1.00 0.00 N ATOM 1431 CA TYR A 94 4.440 3.770 -14.594 1.00 0.00 C ATOM 1432 C TYR A 94 4.143 2.606 -13.651 1.00 0.00 C ATOM 1433 O TYR A 94 4.922 1.659 -13.556 1.00 0.00 O ATOM 1434 CB TYR A 94 4.270 3.312 -16.041 1.00 0.00 C ATOM 1435 CG TYR A 94 3.805 4.406 -16.966 1.00 0.00 C ATOM 1436 CD1 TYR A 94 4.451 5.633 -16.990 1.00 0.00 C ATOM 1437 CD2 TYR A 94 2.722 4.216 -17.811 1.00 0.00 C ATOM 1438 CE1 TYR A 94 4.034 6.641 -17.831 1.00 0.00 C ATOM 1439 CE2 TYR A 94 2.296 5.219 -18.658 1.00 0.00 C ATOM 1440 CZ TYR A 94 2.954 6.430 -18.665 1.00 0.00 C ATOM 1441 OH TYR A 94 2.533 7.434 -19.507 1.00 0.00 O ATOM 0 H TYR A 94 6.515 3.754 -14.877 1.00 0.00 H new ATOM 0 HA TYR A 94 3.738 4.575 -14.379 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.220 2.920 -16.404 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.553 2.491 -16.072 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.296 5.801 -16.338 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.204 3.268 -17.806 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.549 7.590 -17.838 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.452 5.056 -19.312 1.00 0.00 H new ATOM 0 HH TYR A 94 1.763 7.123 -20.027 1.00 0.00 H new ATOM 1451 N GLN A 95 3.009 2.683 -12.962 1.00 0.00 N ATOM 1452 CA GLN A 95 2.602 1.633 -12.032 1.00 0.00 C ATOM 1453 C GLN A 95 1.151 1.228 -12.277 1.00 0.00 C ATOM 1454 O GLN A 95 0.294 2.081 -12.504 1.00 0.00 O ATOM 1455 CB GLN A 95 2.783 2.102 -10.589 1.00 0.00 C ATOM 1456 CG GLN A 95 4.126 2.763 -10.327 1.00 0.00 C ATOM 1457 CD GLN A 95 5.202 1.765 -9.947 1.00 0.00 C ATOM 1458 OE1 GLN A 95 5.122 1.116 -8.904 1.00 0.00 O ATOM 1459 NE2 GLN A 95 6.217 1.638 -10.793 1.00 0.00 N ATOM 0 H GLN A 95 2.354 3.462 -13.030 1.00 0.00 H new ATOM 0 HA GLN A 95 3.236 0.762 -12.200 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.987 2.805 -10.342 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.672 1.247 -9.922 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.439 3.308 -11.218 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.016 3.496 -9.528 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.243 2.196 -11.646 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.971 0.982 -10.590 1.00 0.00 H new ATOM 1468 N SER A 96 0.878 -0.075 -12.238 1.00 0.00 N ATOM 1469 CA SER A 96 -0.477 -0.569 -12.469 1.00 0.00 C ATOM 1470 C SER A 96 -1.166 -0.981 -11.168 1.00 0.00 C ATOM 1471 O SER A 96 -0.539 -1.544 -10.273 1.00 0.00 O ATOM 1472 CB SER A 96 -0.445 -1.753 -13.436 1.00 0.00 C ATOM 1473 OG SER A 96 -1.755 -2.141 -13.811 1.00 0.00 O ATOM 0 H SER A 96 1.570 -0.801 -12.051 1.00 0.00 H new ATOM 0 HA SER A 96 -1.053 0.247 -12.905 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.127 -1.485 -14.325 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.067 -2.594 -12.969 1.00 0.00 H new ATOM 0 HG SER A 96 -1.707 -2.899 -14.431 1.00 0.00 H new ATOM 1479 N HIS A 97 -2.471 -0.707 -11.092 1.00 0.00 N ATOM 1480 CA HIS A 97 -3.292 -1.051 -9.925 1.00 0.00 C ATOM 1481 C HIS A 97 -3.053 -0.105 -8.746 1.00 0.00 C ATOM 1482 O HIS A 97 -2.734 -0.547 -7.638 1.00 0.00 O ATOM 1483 CB HIS A 97 -3.044 -2.500 -9.494 1.00 0.00 C ATOM 1484 CG HIS A 97 -3.371 -3.501 -10.557 1.00 0.00 C ATOM 1485 ND1 HIS A 97 -4.659 -3.907 -10.837 1.00 0.00 N ATOM 1486 CD2 HIS A 97 -2.570 -4.180 -11.414 1.00 0.00 C ATOM 1487 CE1 HIS A 97 -4.636 -4.792 -11.819 1.00 0.00 C ATOM 1488 NE2 HIS A 97 -3.382 -4.974 -12.186 1.00 0.00 N ATOM 0 H HIS A 97 -2.989 -0.241 -11.837 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.333 -0.940 -10.229 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.998 -2.612 -9.209 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.641 -2.715 -8.607 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.494 -4.110 -11.478 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.497 -5.283 -12.248 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -3.066 -5.603 -12.924 1.00 0.00 H new ATOM 1497 N VAL A 98 -3.232 1.194 -8.976 1.00 0.00 N ATOM 1498 CA VAL A 98 -3.056 2.181 -7.913 1.00 0.00 C ATOM 1499 C VAL A 98 -4.320 3.019 -7.734 1.00 0.00 C ATOM 1500 O VAL A 98 -5.005 3.337 -8.703 1.00 0.00 O ATOM 1501 CB VAL A 98 -1.844 3.107 -8.177 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -2.066 3.983 -9.395 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -1.545 3.972 -6.966 1.00 0.00 C ATOM 0 H VAL A 98 -3.496 1.585 -9.880 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.862 1.627 -6.995 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.986 2.463 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.195 4.619 -9.549 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.216 3.354 -10.273 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.947 4.606 -9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.689 4.613 -7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.413 4.590 -6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.318 3.335 -6.111 1.00 0.00 H new ATOM 1513 N LEU A 99 -4.618 3.371 -6.489 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.793 4.172 -6.175 1.00 0.00 C ATOM 1515 C LEU A 99 -5.385 5.613 -5.906 1.00 0.00 C ATOM 1516 O LEU A 99 -4.352 5.861 -5.285 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.520 3.601 -4.956 1.00 0.00 C ATOM 1518 CG LEU A 99 -7.502 2.467 -5.256 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -6.782 1.294 -5.903 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -8.210 2.024 -3.983 1.00 0.00 C ATOM 0 H LEU A 99 -4.058 3.112 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.469 4.145 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.776 3.238 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.062 4.409 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.252 2.837 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.497 0.497 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.322 1.619 -6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.010 0.924 -5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.905 1.217 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.473 1.672 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.759 2.865 -3.561 1.00 0.00 H new ATOM 1532 N LEU A 100 -6.184 6.563 -6.379 1.00 0.00 N ATOM 1533 CA LEU A 100 -5.863 7.971 -6.180 1.00 0.00 C ATOM 1534 C LEU A 100 -7.052 8.762 -5.644 1.00 0.00 C ATOM 1535 O LEU A 100 -8.193 8.555 -6.056 1.00 0.00 O ATOM 1536 CB LEU A 100 -5.355 8.592 -7.482 1.00 0.00 C ATOM 1537 CG LEU A 100 -3.837 8.766 -7.551 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -3.421 9.322 -8.903 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -3.353 9.676 -6.431 1.00 0.00 C ATOM 0 H LEU A 100 -7.046 6.388 -6.895 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.075 8.020 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.675 7.968 -8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.826 9.566 -7.613 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.375 7.787 -7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.338 9.438 -8.931 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.733 8.636 -9.690 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.894 10.292 -9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.271 9.788 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.826 10.653 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.615 9.239 -5.468 1.00 0.00 H new ATOM 1551 N ALA A 101 -6.759 9.675 -4.721 1.00 0.00 N ATOM 1552 CA ALA A 101 -7.778 10.519 -4.111 1.00 0.00 C ATOM 1553 C ALA A 101 -7.177 11.845 -3.667 1.00 0.00 C ATOM 1554 O ALA A 101 -5.970 11.947 -3.479 1.00 0.00 O ATOM 1555 CB ALA A 101 -8.407 9.818 -2.922 1.00 0.00 C ATOM 0 H ALA A 101 -5.814 9.848 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.549 10.712 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.166 10.463 -2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.869 8.887 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.639 9.599 -2.180 1.00 0.00 H new ATOM 1561 N THR A 102 -8.018 12.856 -3.491 1.00 0.00 N ATOM 1562 CA THR A 102 -7.539 14.165 -3.060 1.00 0.00 C ATOM 1563 C THR A 102 -8.026 14.490 -1.651 1.00 0.00 C ATOM 1564 O THR A 102 -9.220 14.421 -1.361 1.00 0.00 O ATOM 1565 CB THR A 102 -7.984 15.250 -4.044 1.00 0.00 C ATOM 1566 OG1 THR A 102 -7.853 16.536 -3.467 1.00 0.00 O ATOM 1567 CG2 THR A 102 -9.418 15.095 -4.502 1.00 0.00 C ATOM 0 H THR A 102 -9.026 12.798 -3.638 1.00 0.00 H new ATOM 0 HA THR A 102 -6.450 14.136 -3.043 1.00 0.00 H new ATOM 0 HB THR A 102 -7.331 15.137 -4.909 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.945 16.646 -3.115 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.667 15.897 -5.197 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.539 14.133 -5.000 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.083 15.143 -3.639 1.00 0.00 H new ATOM 1575 N GLY A 103 -7.086 14.843 -0.777 1.00 0.00 N ATOM 1576 CA GLY A 103 -7.425 15.171 0.597 1.00 0.00 C ATOM 1577 C GLY A 103 -6.918 16.540 1.008 1.00 0.00 C ATOM 1578 O GLY A 103 -7.264 17.549 0.392 1.00 0.00 O ATOM 0 H GLY A 103 -6.092 14.908 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.508 15.136 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -7.005 14.416 1.262 1.00 0.00 H new ATOM 1582 N PHE A 104 -6.095 16.574 2.050 1.00 0.00 N ATOM 1583 CA PHE A 104 -5.536 17.826 2.545 1.00 0.00 C ATOM 1584 C PHE A 104 -4.215 17.578 3.268 1.00 0.00 C ATOM 1585 O PHE A 104 -4.160 17.570 4.498 1.00 0.00 O ATOM 1586 CB PHE A 104 -6.528 18.519 3.482 1.00 0.00 C ATOM 1587 CG PHE A 104 -7.131 19.766 2.898 1.00 0.00 C ATOM 1588 CD1 PHE A 104 -6.328 20.833 2.531 1.00 0.00 C ATOM 1589 CD2 PHE A 104 -8.501 19.870 2.719 1.00 0.00 C ATOM 1590 CE1 PHE A 104 -6.880 21.981 1.995 1.00 0.00 C ATOM 1591 CE2 PHE A 104 -9.059 21.016 2.184 1.00 0.00 C ATOM 1592 CZ PHE A 104 -8.247 22.072 1.821 1.00 0.00 C ATOM 0 H PHE A 104 -5.800 15.747 2.569 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.346 18.476 1.691 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.327 17.821 3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.021 18.771 4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.258 20.767 2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -9.140 19.046 3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.243 22.806 1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.128 21.085 2.050 1.00 0.00 H new ATOM 0 HZ PHE A 104 -8.680 22.968 1.402 1.00 0.00 H new ATOM 1602 N SER A 105 -3.154 17.375 2.495 1.00 0.00 N ATOM 1603 CA SER A 105 -1.833 17.123 3.060 1.00 0.00 C ATOM 1604 C SER A 105 -0.769 17.951 2.344 1.00 0.00 C ATOM 1605 O SER A 105 -1.085 18.919 1.650 1.00 0.00 O ATOM 1606 CB SER A 105 -1.494 15.634 2.965 1.00 0.00 C ATOM 1607 OG SER A 105 -1.112 15.280 1.646 1.00 0.00 O ATOM 0 H SER A 105 -3.183 17.380 1.475 1.00 0.00 H new ATOM 0 HA SER A 105 -1.848 17.418 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.686 15.397 3.657 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.357 15.041 3.268 1.00 0.00 H new ATOM 0 HG SER A 105 -0.899 14.324 1.613 1.00 0.00 H new ATOM 1613 N GLU A 106 0.494 17.567 2.514 1.00 0.00 N ATOM 1614 CA GLU A 106 1.600 18.274 1.882 1.00 0.00 C ATOM 1615 C GLU A 106 2.860 17.408 1.859 1.00 0.00 C ATOM 1616 O GLU A 106 3.335 17.026 0.789 1.00 0.00 O ATOM 1617 CB GLU A 106 1.876 19.594 2.609 1.00 0.00 C ATOM 1618 CG GLU A 106 1.675 20.821 1.735 1.00 0.00 C ATOM 1619 CD GLU A 106 0.567 21.725 2.242 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -0.612 21.451 1.930 1.00 0.00 O ATOM 1621 OE2 GLU A 106 0.878 22.707 2.949 1.00 0.00 O ATOM 0 H GLU A 106 0.775 16.770 3.085 1.00 0.00 H new ATOM 0 HA GLU A 106 1.318 18.493 0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.221 19.665 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.900 19.587 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.606 21.385 1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.443 20.504 0.718 1.00 0.00 H new ATOM 1628 N PRO A 107 3.421 17.081 3.038 1.00 0.00 N ATOM 1629 CA PRO A 107 4.629 16.254 3.132 1.00 0.00 C ATOM 1630 C PRO A 107 4.412 14.854 2.569 1.00 0.00 C ATOM 1631 O PRO A 107 5.245 14.337 1.824 1.00 0.00 O ATOM 1632 CB PRO A 107 4.913 16.189 4.637 1.00 0.00 C ATOM 1633 CG PRO A 107 3.616 16.522 5.290 1.00 0.00 C ATOM 1634 CD PRO A 107 2.928 17.486 4.368 1.00 0.00 C ATOM 0 HA PRO A 107 5.452 16.673 2.553 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.260 15.198 4.931 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.692 16.896 4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 107 3.013 15.627 5.440 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.776 16.967 6.272 1.00 0.00 H new ATOM 0 HD2 PRO A 107 1.843 17.407 4.438 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.188 18.519 4.597 1.00 0.00 H new ATOM 1642 N GLY A 108 3.287 14.243 2.930 1.00 0.00 N ATOM 1643 CA GLY A 108 2.981 12.909 2.450 1.00 0.00 C ATOM 1644 C GLY A 108 3.879 11.851 3.063 1.00 0.00 C ATOM 1645 O GLY A 108 3.416 10.994 3.815 1.00 0.00 O ATOM 0 H GLY A 108 2.583 14.649 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.941 12.674 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.084 12.884 1.365 1.00 0.00 H new ATOM 1649 N ASP A 109 5.166 11.910 2.738 1.00 0.00 N ATOM 1650 CA ASP A 109 6.131 10.950 3.261 1.00 0.00 C ATOM 1651 C ASP A 109 5.775 9.531 2.827 1.00 0.00 C ATOM 1652 O ASP A 109 4.774 9.313 2.145 1.00 0.00 O ATOM 1653 CB ASP A 109 6.187 11.030 4.788 1.00 0.00 C ATOM 1654 CG ASP A 109 7.280 11.959 5.278 1.00 0.00 C ATOM 1655 OD1 ASP A 109 7.291 13.137 4.860 1.00 0.00 O ATOM 1656 OD2 ASP A 109 8.125 11.511 6.081 1.00 0.00 O ATOM 0 H ASP A 109 5.565 12.612 2.115 1.00 0.00 H new ATOM 0 HA ASP A 109 7.111 11.200 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.225 11.374 5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 109 6.352 10.033 5.196 1.00 0.00 H new ATOM 1661 N ALA A 110 6.602 8.571 3.227 1.00 0.00 N ATOM 1662 CA ALA A 110 6.374 7.173 2.880 1.00 0.00 C ATOM 1663 C ALA A 110 5.767 6.409 4.051 1.00 0.00 C ATOM 1664 O ALA A 110 5.448 6.991 5.087 1.00 0.00 O ATOM 1665 CB ALA A 110 7.675 6.521 2.438 1.00 0.00 C ATOM 0 H ALA A 110 7.436 8.735 3.791 1.00 0.00 H new ATOM 0 HA ALA A 110 5.665 7.140 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 110 7.490 5.478 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.067 7.045 1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 110 8.402 6.573 3.249 1.00 0.00 H new ATOM 1671 N GLY A 111 5.611 5.100 3.878 1.00 0.00 N ATOM 1672 CA GLY A 111 5.042 4.278 4.930 1.00 0.00 C ATOM 1673 C GLY A 111 3.578 4.580 5.176 1.00 0.00 C ATOM 1674 O GLY A 111 3.178 5.742 5.241 1.00 0.00 O ATOM 0 H GLY A 111 5.868 4.595 3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.153 3.227 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.602 4.435 5.852 1.00 0.00 H new ATOM 1678 N GLY A 112 2.775 3.530 5.312 1.00 0.00 N ATOM 1679 CA GLY A 112 1.354 3.705 5.551 1.00 0.00 C ATOM 1680 C GLY A 112 0.504 2.894 4.594 1.00 0.00 C ATOM 1681 O GLY A 112 0.822 2.789 3.410 1.00 0.00 O ATOM 0 H GLY A 112 3.084 2.559 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.122 3.414 6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 112 1.099 4.760 5.454 1.00 0.00 H new ATOM 1685 N ILE A 113 -0.579 2.316 5.106 1.00 0.00 N ATOM 1686 CA ILE A 113 -1.471 1.509 4.281 1.00 0.00 C ATOM 1687 C ILE A 113 -2.917 1.984 4.381 1.00 0.00 C ATOM 1688 O ILE A 113 -3.361 2.444 5.434 1.00 0.00 O ATOM 1689 CB ILE A 113 -1.398 0.016 4.656 1.00 0.00 C ATOM 1690 CG1 ILE A 113 -1.657 -0.178 6.152 1.00 0.00 C ATOM 1691 CG2 ILE A 113 -0.045 -0.566 4.267 1.00 0.00 C ATOM 1692 CD1 ILE A 113 -3.108 -0.442 6.485 1.00 0.00 C ATOM 0 H ILE A 113 -0.859 2.391 6.084 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.131 1.631 3.253 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.173 -0.515 4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.053 -1.011 6.512 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.326 0.711 6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.011 -1.621 4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.099 -0.464 3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.746 -0.030 4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.217 -0.569 7.562 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.716 0.401 6.156 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -3.439 -1.348 5.977 1.00 0.00 H new ATOM 1704 N LEU A 114 -3.646 1.858 3.277 1.00 0.00 N ATOM 1705 CA LEU A 114 -5.047 2.263 3.228 1.00 0.00 C ATOM 1706 C LEU A 114 -5.942 1.114 3.680 1.00 0.00 C ATOM 1707 O LEU A 114 -5.883 0.016 3.123 1.00 0.00 O ATOM 1708 CB LEU A 114 -5.418 2.704 1.806 1.00 0.00 C ATOM 1709 CG LEU A 114 -6.914 2.698 1.479 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -7.680 3.577 2.453 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -7.148 3.157 0.048 1.00 0.00 C ATOM 0 H LEU A 114 -3.288 1.477 2.401 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.196 3.105 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.034 3.711 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.907 2.051 1.098 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.282 1.677 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.741 3.559 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.540 3.204 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.310 4.600 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.216 3.147 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.762 4.169 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.633 2.485 -0.638 1.00 0.00 H new ATOM 1723 N ARG A 115 -6.759 1.366 4.698 1.00 0.00 N ATOM 1724 CA ARG A 115 -7.650 0.340 5.228 1.00 0.00 C ATOM 1725 C ARG A 115 -9.116 0.708 5.023 1.00 0.00 C ATOM 1726 O ARG A 115 -9.495 1.876 5.095 1.00 0.00 O ATOM 1727 CB ARG A 115 -7.378 0.122 6.718 1.00 0.00 C ATOM 1728 CG ARG A 115 -6.121 -0.688 6.996 1.00 0.00 C ATOM 1729 CD ARG A 115 -6.399 -1.844 7.943 1.00 0.00 C ATOM 1730 NE ARG A 115 -7.089 -1.405 9.154 1.00 0.00 N ATOM 1731 CZ ARG A 115 -7.128 -2.108 10.284 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -6.518 -3.285 10.363 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -7.778 -1.634 11.337 1.00 0.00 N ATOM 0 H ARG A 115 -6.822 2.268 5.171 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.452 -0.582 4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -7.291 1.092 7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.233 -0.386 7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.721 -1.073 6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.357 -0.040 7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.004 -2.594 7.433 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.459 -2.324 8.215 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.570 -0.506 9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -6.016 -3.655 9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -6.551 -3.819 11.231 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -8.248 -0.731 11.282 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.808 -2.173 12.203 1.00 0.00 H new ATOM 1747 N CYS A 116 -9.936 -0.311 4.783 1.00 0.00 N ATOM 1748 CA CYS A 116 -11.367 -0.123 4.583 1.00 0.00 C ATOM 1749 C CYS A 116 -12.140 -0.671 5.776 1.00 0.00 C ATOM 1750 O CYS A 116 -11.595 -1.419 6.587 1.00 0.00 O ATOM 1751 CB CYS A 116 -11.824 -0.832 3.303 1.00 0.00 C ATOM 1752 SG CYS A 116 -13.356 -0.157 2.579 1.00 0.00 S ATOM 0 H CYS A 116 -9.630 -1.282 4.722 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.565 0.945 4.487 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -11.027 -0.769 2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -11.974 -1.889 3.521 1.00 0.00 H new ATOM 1757 N GLU A 117 -13.412 -0.308 5.874 1.00 0.00 N ATOM 1758 CA GLU A 117 -14.249 -0.785 6.968 1.00 0.00 C ATOM 1759 C GLU A 117 -14.354 -2.309 6.940 1.00 0.00 C ATOM 1760 O GLU A 117 -14.762 -2.931 7.921 1.00 0.00 O ATOM 1761 CB GLU A 117 -15.644 -0.160 6.878 1.00 0.00 C ATOM 1762 CG GLU A 117 -16.298 -0.324 5.516 1.00 0.00 C ATOM 1763 CD GLU A 117 -16.948 0.955 5.023 1.00 0.00 C ATOM 1764 OE1 GLU A 117 -16.366 2.039 5.240 1.00 0.00 O ATOM 1765 OE2 GLU A 117 -18.038 0.872 4.419 1.00 0.00 O ATOM 0 H GLU A 117 -13.885 0.311 5.215 1.00 0.00 H new ATOM 0 HA GLU A 117 -13.788 -0.487 7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -16.285 -0.611 7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -15.573 0.902 7.112 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -15.549 -0.648 4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -17.050 -1.112 5.570 1.00 0.00 H new ATOM 1772 N HIS A 118 -13.991 -2.904 5.806 1.00 0.00 N ATOM 1773 CA HIS A 118 -14.048 -4.350 5.641 1.00 0.00 C ATOM 1774 C HIS A 118 -12.696 -5.002 5.934 1.00 0.00 C ATOM 1775 O HIS A 118 -12.636 -6.152 6.368 1.00 0.00 O ATOM 1776 CB HIS A 118 -14.501 -4.689 4.220 1.00 0.00 C ATOM 1777 CG HIS A 118 -15.755 -3.978 3.815 1.00 0.00 C ATOM 1778 ND1 HIS A 118 -15.808 -2.620 3.583 1.00 0.00 N ATOM 1779 CD2 HIS A 118 -17.009 -4.443 3.601 1.00 0.00 C ATOM 1780 CE1 HIS A 118 -17.039 -2.279 3.246 1.00 0.00 C ATOM 1781 NE2 HIS A 118 -17.786 -3.366 3.249 1.00 0.00 N ATOM 0 H HIS A 118 -13.653 -2.402 4.985 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.768 -4.746 6.358 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -13.704 -4.434 3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.660 -5.765 4.143 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -17.337 -5.468 3.690 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -17.376 -1.281 3.009 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -18.781 -3.401 3.026 1.00 0.00 H new ATOM 1789 N GLY A 119 -11.611 -4.266 5.695 1.00 0.00 N ATOM 1790 CA GLY A 119 -10.283 -4.805 5.943 1.00 0.00 C ATOM 1791 C GLY A 119 -9.174 -3.913 5.420 1.00 0.00 C ATOM 1792 O GLY A 119 -9.244 -2.690 5.526 1.00 0.00 O ATOM 0 H GLY A 119 -11.628 -3.311 5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -10.150 -4.950 7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.202 -5.787 5.476 1.00 0.00 H new ATOM 1796 N VAL A 120 -8.147 -4.539 4.859 1.00 0.00 N ATOM 1797 CA VAL A 120 -7.001 -3.818 4.312 1.00 0.00 C ATOM 1798 C VAL A 120 -7.120 -3.679 2.796 1.00 0.00 C ATOM 1799 O VAL A 120 -7.462 -4.636 2.104 1.00 0.00 O ATOM 1800 CB VAL A 120 -5.671 -4.529 4.644 1.00 0.00 C ATOM 1801 CG1 VAL A 120 -4.502 -3.572 4.504 1.00 0.00 C ATOM 1802 CG2 VAL A 120 -5.702 -5.136 6.040 1.00 0.00 C ATOM 0 H VAL A 120 -8.083 -5.553 4.770 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.999 -2.830 4.773 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.541 -5.341 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.575 -4.093 4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.457 -3.200 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.634 -2.734 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.751 -5.629 6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.867 -4.349 6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.510 -5.865 6.102 1.00 0.00 H new ATOM 1812 N ILE A 121 -6.841 -2.483 2.284 1.00 0.00 N ATOM 1813 CA ILE A 121 -6.923 -2.237 0.849 1.00 0.00 C ATOM 1814 C ILE A 121 -5.543 -2.283 0.196 1.00 0.00 C ATOM 1815 O ILE A 121 -5.231 -3.217 -0.544 1.00 0.00 O ATOM 1816 CB ILE A 121 -7.579 -0.874 0.542 1.00 0.00 C ATOM 1817 CG1 ILE A 121 -8.979 -0.804 1.181 1.00 0.00 C ATOM 1818 CG2 ILE A 121 -7.631 -0.641 -0.966 1.00 0.00 C ATOM 1819 CD1 ILE A 121 -10.107 -0.479 0.218 1.00 0.00 C ATOM 0 H ILE A 121 -6.558 -1.675 2.838 1.00 0.00 H new ATOM 0 HA ILE A 121 -7.544 -3.031 0.434 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.976 -0.077 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.193 -1.760 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -8.965 -0.051 1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.096 0.324 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.619 -0.648 -1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.215 -1.432 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -11.052 -0.452 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -9.924 0.492 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.155 -1.244 -0.557 1.00 0.00 H new ATOM 1831 N GLY A 122 -4.725 -1.267 0.460 1.00 0.00 N ATOM 1832 CA GLY A 122 -3.399 -1.222 -0.128 1.00 0.00 C ATOM 1833 C GLY A 122 -2.403 -0.430 0.698 1.00 0.00 C ATOM 1834 O GLY A 122 -2.670 -0.087 1.849 1.00 0.00 O ATOM 0 H GLY A 122 -4.955 -0.480 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.029 -2.240 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.465 -0.783 -1.124 1.00 0.00 H new ATOM 1838 N LEU A 123 -1.249 -0.144 0.100 1.00 0.00 N ATOM 1839 CA LEU A 123 -0.196 0.610 0.772 1.00 0.00 C ATOM 1840 C LEU A 123 0.068 1.930 0.057 1.00 0.00 C ATOM 1841 O LEU A 123 -0.345 2.117 -1.084 1.00 0.00 O ATOM 1842 CB LEU A 123 1.091 -0.216 0.834 1.00 0.00 C ATOM 1843 CG LEU A 123 1.541 -0.812 -0.500 1.00 0.00 C ATOM 1844 CD1 LEU A 123 3.055 -0.949 -0.540 1.00 0.00 C ATOM 1845 CD2 LEU A 123 0.876 -2.159 -0.734 1.00 0.00 C ATOM 0 H LEU A 123 -1.020 -0.425 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.530 0.827 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 123 1.891 0.415 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.950 -1.027 1.548 1.00 0.00 H new ATOM 0 HG LEU A 123 1.237 -0.136 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.357 -1.375 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.512 0.033 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.383 -1.603 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.208 -2.568 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.149 -2.844 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.206 -2.032 -0.751 1.00 0.00 H new ATOM 1857 N VAL A 124 0.756 2.845 0.730 1.00 0.00 N ATOM 1858 CA VAL A 124 1.066 4.146 0.147 1.00 0.00 C ATOM 1859 C VAL A 124 2.020 4.007 -1.037 1.00 0.00 C ATOM 1860 O VAL A 124 3.087 3.405 -0.918 1.00 0.00 O ATOM 1861 CB VAL A 124 1.693 5.096 1.186 1.00 0.00 C ATOM 1862 CG1 VAL A 124 0.697 5.411 2.294 1.00 0.00 C ATOM 1863 CG2 VAL A 124 2.971 4.498 1.758 1.00 0.00 C ATOM 0 H VAL A 124 1.109 2.711 1.677 1.00 0.00 H new ATOM 0 HA VAL A 124 0.122 4.568 -0.197 1.00 0.00 H new ATOM 0 HB VAL A 124 1.951 6.030 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 124 1.158 6.083 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -0.184 5.888 1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.403 4.487 2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.398 5.184 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.744 3.548 2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.688 4.333 0.953 1.00 0.00 H new ATOM 1873 N THR A 125 1.631 4.570 -2.180 1.00 0.00 N ATOM 1874 CA THR A 125 2.460 4.505 -3.380 1.00 0.00 C ATOM 1875 C THR A 125 3.072 5.875 -3.693 1.00 0.00 C ATOM 1876 O THR A 125 4.132 6.212 -3.165 1.00 0.00 O ATOM 1877 CB THR A 125 1.647 3.971 -4.567 1.00 0.00 C ATOM 1878 OG1 THR A 125 1.480 2.571 -4.458 1.00 0.00 O ATOM 1879 CG2 THR A 125 2.280 4.247 -5.918 1.00 0.00 C ATOM 0 H THR A 125 0.752 5.073 -2.299 1.00 0.00 H new ATOM 0 HA THR A 125 3.281 3.811 -3.197 1.00 0.00 H new ATOM 0 HB THR A 125 0.695 4.500 -4.521 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.253 2.117 -4.854 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.647 3.840 -6.706 1.00 0.00 H new ATOM 0 HG22 THR A 125 2.386 5.323 -6.057 1.00 0.00 H new ATOM 0 HG23 THR A 125 3.262 3.777 -5.962 1.00 0.00 H new ATOM 1887 N MET A 126 2.420 6.665 -4.549 1.00 0.00 N ATOM 1888 CA MET A 126 2.949 7.981 -4.896 1.00 0.00 C ATOM 1889 C MET A 126 1.832 9.000 -5.089 1.00 0.00 C ATOM 1890 O MET A 126 0.672 8.642 -5.271 1.00 0.00 O ATOM 1891 CB MET A 126 3.805 7.896 -6.161 1.00 0.00 C ATOM 1892 CG MET A 126 5.142 7.201 -5.946 1.00 0.00 C ATOM 1893 SD MET A 126 6.126 7.964 -4.642 1.00 0.00 S ATOM 1894 CE MET A 126 6.959 9.261 -5.555 1.00 0.00 C ATOM 0 H MET A 126 1.541 6.421 -5.006 1.00 0.00 H new ATOM 0 HA MET A 126 3.570 8.316 -4.065 1.00 0.00 H new ATOM 0 HB2 MET A 126 3.248 7.363 -6.932 1.00 0.00 H new ATOM 0 HB3 MET A 126 3.985 8.903 -6.536 1.00 0.00 H new ATOM 0 HG2 MET A 126 4.966 6.155 -5.697 1.00 0.00 H new ATOM 0 HG3 MET A 126 5.708 7.216 -6.878 1.00 0.00 H new ATOM 0 HE1 MET A 126 7.929 9.461 -5.100 1.00 0.00 H new ATOM 0 HE2 MET A 126 7.101 8.945 -6.588 1.00 0.00 H new ATOM 0 HE3 MET A 126 6.354 10.168 -5.533 1.00 0.00 H new ATOM 1904 N GLY A 127 2.196 10.276 -5.044 1.00 0.00 N ATOM 1905 CA GLY A 127 1.220 11.333 -5.213 1.00 0.00 C ATOM 1906 C GLY A 127 1.827 12.709 -5.027 1.00 0.00 C ATOM 1907 O GLY A 127 3.040 12.879 -5.140 1.00 0.00 O ATOM 0 H GLY A 127 3.152 10.597 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 127 0.780 11.263 -6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 127 0.410 11.195 -4.496 1.00 0.00 H new ATOM 1911 N GLY A 128 0.982 13.692 -4.738 1.00 0.00 N ATOM 1912 CA GLY A 128 1.468 15.044 -4.538 1.00 0.00 C ATOM 1913 C GLY A 128 0.938 15.665 -3.263 1.00 0.00 C ATOM 1914 O GLY A 128 0.607 14.960 -2.310 1.00 0.00 O ATOM 0 H GLY A 128 -0.027 13.578 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.558 15.035 -4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 128 1.177 15.661 -5.388 1.00 0.00 H new ATOM 1918 N GLU A 129 0.851 16.989 -3.249 1.00 0.00 N ATOM 1919 CA GLU A 129 0.351 17.708 -2.084 1.00 0.00 C ATOM 1920 C GLU A 129 -1.164 17.890 -2.164 1.00 0.00 C ATOM 1921 O GLU A 129 -1.747 18.652 -1.394 1.00 0.00 O ATOM 1922 CB GLU A 129 1.036 19.071 -1.966 1.00 0.00 C ATOM 1923 CG GLU A 129 1.127 19.823 -3.285 1.00 0.00 C ATOM 1924 CD GLU A 129 1.542 21.269 -3.103 1.00 0.00 C ATOM 1925 OE1 GLU A 129 2.621 21.509 -2.521 1.00 0.00 O ATOM 1926 OE2 GLU A 129 0.788 22.164 -3.542 1.00 0.00 O ATOM 0 H GLU A 129 1.120 17.587 -4.031 1.00 0.00 H new ATOM 0 HA GLU A 129 0.581 17.117 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 129 0.490 19.681 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 129 2.041 18.930 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 129 1.844 19.322 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 129 0.160 19.787 -3.787 1.00 0.00 H new ATOM 1933 N GLY A 130 -1.797 17.185 -3.100 1.00 0.00 N ATOM 1934 CA GLY A 130 -3.234 17.284 -3.260 1.00 0.00 C ATOM 1935 C GLY A 130 -3.902 15.930 -3.407 1.00 0.00 C ATOM 1936 O GLY A 130 -5.009 15.724 -2.910 1.00 0.00 O ATOM 0 H GLY A 130 -1.337 16.547 -3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.656 17.801 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.457 17.891 -4.137 1.00 0.00 H new ATOM 1940 N VAL A 131 -3.230 15.003 -4.089 1.00 0.00 N ATOM 1941 CA VAL A 131 -3.776 13.664 -4.297 1.00 0.00 C ATOM 1942 C VAL A 131 -2.923 12.600 -3.607 1.00 0.00 C ATOM 1943 O VAL A 131 -1.743 12.817 -3.328 1.00 0.00 O ATOM 1944 CB VAL A 131 -3.908 13.304 -5.798 1.00 0.00 C ATOM 1945 CG1 VAL A 131 -5.345 12.944 -6.135 1.00 0.00 C ATOM 1946 CG2 VAL A 131 -3.419 14.437 -6.689 1.00 0.00 C ATOM 0 H VAL A 131 -2.311 15.154 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.773 13.678 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 131 -3.276 12.437 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.419 12.694 -7.193 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.655 12.087 -5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.993 13.792 -5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -3.526 14.150 -7.735 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -4.010 15.332 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -2.370 14.642 -6.475 1.00 0.00 H new ATOM 1956 N VAL A 132 -3.541 11.455 -3.327 1.00 0.00 N ATOM 1957 CA VAL A 132 -2.862 10.352 -2.657 1.00 0.00 C ATOM 1958 C VAL A 132 -2.908 9.075 -3.497 1.00 0.00 C ATOM 1959 O VAL A 132 -3.983 8.552 -3.784 1.00 0.00 O ATOM 1960 CB VAL A 132 -3.502 10.075 -1.276 1.00 0.00 C ATOM 1961 CG1 VAL A 132 -3.665 11.368 -0.494 1.00 0.00 C ATOM 1962 CG2 VAL A 132 -4.848 9.378 -1.423 1.00 0.00 C ATOM 0 H VAL A 132 -4.517 11.268 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.821 10.647 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 132 -2.833 9.413 -0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -4.117 11.153 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -2.688 11.829 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -4.307 12.051 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.273 9.196 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.524 10.010 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.711 8.428 -1.940 1.00 0.00 H new ATOM 1972 N GLY A 133 -1.739 8.566 -3.881 1.00 0.00 N ATOM 1973 CA GLY A 133 -1.692 7.348 -4.672 1.00 0.00 C ATOM 1974 C GLY A 133 -1.334 6.137 -3.833 1.00 0.00 C ATOM 1975 O GLY A 133 -0.229 6.051 -3.296 1.00 0.00 O ATOM 0 H GLY A 133 -0.830 8.972 -3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.660 7.187 -5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.961 7.464 -5.472 1.00 0.00 H new ATOM 1979 N PHE A 134 -2.272 5.203 -3.712 1.00 0.00 N ATOM 1980 CA PHE A 134 -2.052 3.998 -2.922 1.00 0.00 C ATOM 1981 C PHE A 134 -2.054 2.750 -3.803 1.00 0.00 C ATOM 1982 O PHE A 134 -2.852 2.633 -4.726 1.00 0.00 O ATOM 1983 CB PHE A 134 -3.133 3.873 -1.844 1.00 0.00 C ATOM 1984 CG PHE A 134 -3.323 5.121 -1.025 1.00 0.00 C ATOM 1985 CD1 PHE A 134 -2.238 5.912 -0.679 1.00 0.00 C ATOM 1986 CD2 PHE A 134 -4.587 5.502 -0.597 1.00 0.00 C ATOM 1987 CE1 PHE A 134 -2.409 7.055 0.078 1.00 0.00 C ATOM 1988 CE2 PHE A 134 -4.762 6.646 0.159 1.00 0.00 C ATOM 1989 CZ PHE A 134 -3.672 7.423 0.498 1.00 0.00 C ATOM 0 H PHE A 134 -3.191 5.258 -4.151 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.074 4.080 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.079 3.615 -2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.875 3.049 -1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.247 5.631 -1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -5.444 4.898 -0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -1.555 7.661 0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -5.751 6.932 0.485 1.00 0.00 H new ATOM 0 HZ PHE A 134 -3.807 8.316 1.090 1.00 0.00 H new ATOM 1999 N ALA A 135 -1.159 1.815 -3.504 1.00 0.00 N ATOM 2000 CA ALA A 135 -1.067 0.575 -4.263 1.00 0.00 C ATOM 2001 C ALA A 135 -1.992 -0.482 -3.669 1.00 0.00 C ATOM 2002 O ALA A 135 -1.813 -0.909 -2.529 1.00 0.00 O ATOM 2003 CB ALA A 135 0.370 0.081 -4.284 1.00 0.00 C ATOM 0 H ALA A 135 -0.487 1.893 -2.741 1.00 0.00 H new ATOM 0 HA ALA A 135 -1.383 0.766 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.428 -0.846 -4.854 1.00 0.00 H new ATOM 0 HB2 ALA A 135 1.007 0.833 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 135 0.708 -0.099 -3.263 1.00 0.00 H new ATOM 2009 N ASP A 136 -2.995 -0.885 -4.444 1.00 0.00 N ATOM 2010 CA ASP A 136 -3.969 -1.875 -3.988 1.00 0.00 C ATOM 2011 C ASP A 136 -3.345 -3.259 -3.820 1.00 0.00 C ATOM 2012 O ASP A 136 -2.505 -3.678 -4.615 1.00 0.00 O ATOM 2013 CB ASP A 136 -5.140 -1.950 -4.971 1.00 0.00 C ATOM 2014 CG ASP A 136 -6.393 -1.290 -4.430 1.00 0.00 C ATOM 2015 OD1 ASP A 136 -6.268 -0.409 -3.554 1.00 0.00 O ATOM 2016 OD2 ASP A 136 -7.499 -1.654 -4.882 1.00 0.00 O ATOM 0 H ASP A 136 -3.156 -0.542 -5.391 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.328 -1.553 -3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -4.856 -1.470 -5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -5.353 -2.994 -5.199 1.00 0.00 H new ATOM 2021 N VAL A 137 -3.789 -3.972 -2.785 1.00 0.00 N ATOM 2022 CA VAL A 137 -3.306 -5.322 -2.510 1.00 0.00 C ATOM 2023 C VAL A 137 -4.196 -6.359 -3.204 1.00 0.00 C ATOM 2024 O VAL A 137 -4.076 -7.561 -2.970 1.00 0.00 O ATOM 2025 CB VAL A 137 -3.271 -5.605 -0.988 1.00 0.00 C ATOM 2026 CG1 VAL A 137 -2.798 -7.023 -0.698 1.00 0.00 C ATOM 2027 CG2 VAL A 137 -2.382 -4.595 -0.276 1.00 0.00 C ATOM 0 H VAL A 137 -4.486 -3.634 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.291 -5.397 -2.900 1.00 0.00 H new ATOM 0 HB VAL A 137 -4.288 -5.506 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.785 -7.189 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.476 -7.736 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.794 -7.161 -1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.370 -4.810 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.368 -4.661 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.770 -3.590 -0.439 1.00 0.00 H new ATOM 2037 N ARG A 138 -5.090 -5.883 -4.068 1.00 0.00 N ATOM 2038 CA ARG A 138 -5.996 -6.761 -4.796 1.00 0.00 C ATOM 2039 C ARG A 138 -5.255 -7.564 -5.867 1.00 0.00 C ATOM 2040 O ARG A 138 -5.835 -8.448 -6.497 1.00 0.00 O ATOM 2041 CB ARG A 138 -7.117 -5.942 -5.439 1.00 0.00 C ATOM 2042 CG ARG A 138 -7.877 -5.070 -4.449 1.00 0.00 C ATOM 2043 CD ARG A 138 -9.354 -5.429 -4.406 1.00 0.00 C ATOM 2044 NE ARG A 138 -10.106 -4.781 -5.479 1.00 0.00 N ATOM 2045 CZ ARG A 138 -10.523 -3.517 -5.434 1.00 0.00 C ATOM 2046 NH1 ARG A 138 -10.261 -2.761 -4.375 1.00 0.00 N ATOM 2047 NH2 ARG A 138 -11.202 -3.007 -6.452 1.00 0.00 N ATOM 0 H ARG A 138 -5.204 -4.892 -4.280 1.00 0.00 H new ATOM 0 HA ARG A 138 -6.425 -7.465 -4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -6.692 -5.308 -6.218 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -7.818 -6.620 -5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -7.445 -5.185 -3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -7.765 -4.022 -4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -9.467 -6.510 -4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -9.771 -5.135 -3.443 1.00 0.00 H new ATOM 0 HE ARG A 138 -10.324 -5.329 -6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -9.737 -3.147 -3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -10.583 -1.794 -4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -11.405 -3.583 -7.269 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -11.522 -2.039 -6.418 1.00 0.00 H new ATOM 2061 N ASP A 139 -3.974 -7.256 -6.071 1.00 0.00 N ATOM 2062 CA ASP A 139 -3.172 -7.959 -7.067 1.00 0.00 C ATOM 2063 C ASP A 139 -2.384 -9.106 -6.434 1.00 0.00 C ATOM 2064 O ASP A 139 -1.503 -9.686 -7.069 1.00 0.00 O ATOM 2065 CB ASP A 139 -2.215 -6.987 -7.758 1.00 0.00 C ATOM 2066 CG ASP A 139 -1.263 -6.321 -6.784 1.00 0.00 C ATOM 2067 OD1 ASP A 139 -0.225 -6.934 -6.455 1.00 0.00 O ATOM 2068 OD2 ASP A 139 -1.555 -5.186 -6.352 1.00 0.00 O ATOM 0 H ASP A 139 -3.473 -6.528 -5.562 1.00 0.00 H new ATOM 0 HA ASP A 139 -3.852 -8.381 -7.807 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -1.641 -7.523 -8.514 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -2.792 -6.222 -8.278 1.00 0.00 H new ATOM 2073 N LEU A 140 -2.706 -9.429 -5.185 1.00 0.00 N ATOM 2074 CA LEU A 140 -2.029 -10.505 -4.472 1.00 0.00 C ATOM 2075 C LEU A 140 -2.664 -10.715 -3.105 1.00 0.00 C ATOM 2076 O LEU A 140 -2.023 -10.546 -2.071 1.00 0.00 O ATOM 2077 CB LEU A 140 -0.522 -10.216 -4.340 1.00 0.00 C ATOM 2078 CG LEU A 140 -0.119 -8.939 -3.574 1.00 0.00 C ATOM 2079 CD1 LEU A 140 -1.208 -7.882 -3.617 1.00 0.00 C ATOM 2080 CD2 LEU A 140 0.237 -9.267 -2.133 1.00 0.00 C ATOM 0 H LEU A 140 -3.433 -8.959 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 140 -2.142 -11.423 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -0.055 -11.069 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -0.099 -10.157 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 140 0.759 -8.529 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -0.881 -7.001 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -1.408 -7.608 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -2.117 -8.278 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 140 0.518 -8.353 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -0.624 -9.717 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 140 1.072 -9.967 -2.115 1.00 0.00 H new ATOM 2092 N LEU A 141 -3.941 -11.078 -3.112 1.00 0.00 N ATOM 2093 CA LEU A 141 -4.684 -11.304 -1.881 1.00 0.00 C ATOM 2094 C LEU A 141 -4.374 -12.668 -1.267 1.00 0.00 C ATOM 2095 O LEU A 141 -4.709 -12.922 -0.111 1.00 0.00 O ATOM 2096 CB LEU A 141 -6.184 -11.175 -2.141 1.00 0.00 C ATOM 2097 CG LEU A 141 -6.884 -10.109 -1.301 1.00 0.00 C ATOM 2098 CD1 LEU A 141 -6.442 -10.194 0.152 1.00 0.00 C ATOM 2099 CD2 LEU A 141 -6.617 -8.719 -1.866 1.00 0.00 C ATOM 0 H LEU A 141 -4.485 -11.223 -3.963 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.371 -10.543 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -6.339 -10.948 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -6.657 -12.138 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 141 -7.958 -10.293 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -6.952 -9.426 0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -6.692 -11.177 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -5.365 -10.040 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.124 -7.974 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -5.545 -8.524 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -6.991 -8.664 -2.888 1.00 0.00 H new ATOM 2111 N TRP A 142 -3.751 -13.546 -2.045 1.00 0.00 N ATOM 2112 CA TRP A 142 -3.416 -14.885 -1.572 1.00 0.00 C ATOM 2113 C TRP A 142 -2.494 -14.842 -0.351 1.00 0.00 C ATOM 2114 O TRP A 142 -1.296 -15.103 -0.452 1.00 0.00 O ATOM 2115 CB TRP A 142 -2.772 -15.714 -2.690 1.00 0.00 C ATOM 2116 CG TRP A 142 -1.624 -15.033 -3.374 1.00 0.00 C ATOM 2117 CD1 TRP A 142 -1.691 -14.015 -4.283 1.00 0.00 C ATOM 2118 CD2 TRP A 142 -0.235 -15.336 -3.214 1.00 0.00 C ATOM 2119 NE1 TRP A 142 -0.428 -13.660 -4.687 1.00 0.00 N ATOM 2120 CE2 TRP A 142 0.483 -14.457 -4.046 1.00 0.00 C ATOM 2121 CE3 TRP A 142 0.473 -16.262 -2.444 1.00 0.00 C ATOM 2122 CZ2 TRP A 142 1.871 -14.478 -4.129 1.00 0.00 C ATOM 2123 CZ3 TRP A 142 1.853 -16.282 -2.529 1.00 0.00 C ATOM 2124 CH2 TRP A 142 2.539 -15.394 -3.365 1.00 0.00 C ATOM 0 H TRP A 142 -3.468 -13.355 -3.006 1.00 0.00 H new ATOM 0 HA TRP A 142 -4.349 -15.362 -1.271 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -2.424 -16.659 -2.272 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -3.532 -15.955 -3.433 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -2.604 -13.557 -4.633 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -0.204 -12.923 -5.356 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -0.048 -16.950 -1.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 2.403 -13.795 -4.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 2.411 -16.995 -1.940 1.00 0.00 H new ATOM 0 HH2 TRP A 142 3.617 -15.433 -3.408 1.00 0.00 H new ATOM 2135 N LEU A 143 -3.077 -14.530 0.804 1.00 0.00 N ATOM 2136 CA LEU A 143 -2.336 -14.471 2.062 1.00 0.00 C ATOM 2137 C LEU A 143 -3.186 -15.048 3.191 1.00 0.00 C ATOM 2138 O LEU A 143 -2.719 -15.865 3.984 1.00 0.00 O ATOM 2139 CB LEU A 143 -1.940 -13.031 2.414 1.00 0.00 C ATOM 2140 CG LEU A 143 -1.081 -12.295 1.382 1.00 0.00 C ATOM 2141 CD1 LEU A 143 -1.965 -11.533 0.415 1.00 0.00 C ATOM 2142 CD2 LEU A 143 -0.115 -11.346 2.077 1.00 0.00 C ATOM 0 H LEU A 143 -4.069 -14.312 0.895 1.00 0.00 H new ATOM 0 HA LEU A 143 -1.426 -15.058 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -2.851 -12.455 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -1.401 -13.046 3.361 1.00 0.00 H new ATOM 0 HG LEU A 143 -0.502 -13.029 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -1.343 -11.014 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -2.625 -12.230 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -2.564 -10.806 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 143 0.489 -10.830 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.678 -10.615 2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 143 0.537 -11.913 2.742 1.00 0.00 H new ATOM 2154 N GLU A 144 -4.441 -14.610 3.250 1.00 0.00 N ATOM 2155 CA GLU A 144 -5.372 -15.069 4.272 1.00 0.00 C ATOM 2156 C GLU A 144 -6.804 -15.045 3.739 1.00 0.00 C ATOM 2157 O GLU A 144 -7.022 -14.998 2.528 1.00 0.00 O ATOM 2158 CB GLU A 144 -5.257 -14.186 5.517 1.00 0.00 C ATOM 2159 CG GLU A 144 -5.136 -14.964 6.817 1.00 0.00 C ATOM 2160 CD GLU A 144 -4.059 -16.031 6.766 1.00 0.00 C ATOM 2161 OE1 GLU A 144 -2.900 -15.690 6.453 1.00 0.00 O ATOM 2162 OE2 GLU A 144 -4.376 -17.208 7.039 1.00 0.00 O ATOM 0 H GLU A 144 -4.836 -13.934 2.597 1.00 0.00 H new ATOM 0 HA GLU A 144 -5.120 -16.095 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -4.387 -13.538 5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -6.132 -13.539 5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -4.917 -14.272 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -6.094 -15.432 7.046 1.00 0.00 H new ATOM 2169 N ASP A 145 -7.775 -15.075 4.646 1.00 0.00 N ATOM 2170 CA ASP A 145 -9.181 -15.054 4.259 1.00 0.00 C ATOM 2171 C ASP A 145 -9.565 -13.695 3.681 1.00 0.00 C ATOM 2172 O ASP A 145 -9.045 -12.662 4.100 1.00 0.00 O ATOM 2173 CB ASP A 145 -10.069 -15.379 5.460 1.00 0.00 C ATOM 2174 CG ASP A 145 -10.343 -16.864 5.592 1.00 0.00 C ATOM 2175 OD1 ASP A 145 -10.402 -17.551 4.550 1.00 0.00 O ATOM 2176 OD2 ASP A 145 -10.497 -17.340 6.735 1.00 0.00 O ATOM 0 H ASP A 145 -7.614 -15.114 5.653 1.00 0.00 H new ATOM 0 HA ASP A 145 -9.331 -15.812 3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -9.590 -15.018 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -11.014 -14.845 5.364 1.00 0.00 H new ATOM 2181 N ASP A 146 -10.479 -13.705 2.715 1.00 0.00 N ATOM 2182 CA ASP A 146 -10.933 -12.475 2.078 1.00 0.00 C ATOM 2183 C ASP A 146 -12.180 -11.934 2.767 1.00 0.00 C ATOM 2184 O ASP A 146 -12.941 -12.687 3.376 1.00 0.00 O ATOM 2185 CB ASP A 146 -11.221 -12.718 0.596 1.00 0.00 C ATOM 2186 CG ASP A 146 -9.971 -12.642 -0.257 1.00 0.00 C ATOM 2187 OD1 ASP A 146 -9.201 -11.671 -0.095 1.00 0.00 O ATOM 2188 OD2 ASP A 146 -9.760 -13.551 -1.086 1.00 0.00 O ATOM 0 H ASP A 146 -10.919 -14.552 2.357 1.00 0.00 H new ATOM 0 HA ASP A 146 -10.138 -11.735 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -11.681 -13.699 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -11.943 -11.981 0.244 1.00 0.00 H new ATOM 2193 N ALA A 147 -12.385 -10.624 2.669 1.00 0.00 N ATOM 2194 CA ALA A 147 -13.541 -9.984 3.283 1.00 0.00 C ATOM 2195 C ALA A 147 -14.711 -9.910 2.309 1.00 0.00 C ATOM 2196 O ALA A 147 -14.548 -9.506 1.157 1.00 0.00 O ATOM 2197 CB ALA A 147 -13.171 -8.594 3.777 1.00 0.00 C ATOM 0 H ALA A 147 -11.765 -9.986 2.170 1.00 0.00 H new ATOM 0 HA ALA A 147 -13.852 -10.589 4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -14.043 -8.126 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -12.372 -8.671 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -12.832 -7.988 2.937 1.00 0.00 H new ATOM 2203 N MET A 148 -15.892 -10.301 2.776 1.00 0.00 N ATOM 2204 CA MET A 148 -17.090 -10.279 1.946 1.00 0.00 C ATOM 2205 C MET A 148 -18.348 -10.402 2.799 1.00 0.00 C ATOM 2206 O MET A 148 -19.240 -9.557 2.734 1.00 0.00 O ATOM 2207 CB MET A 148 -17.045 -11.411 0.916 1.00 0.00 C ATOM 2208 CG MET A 148 -18.024 -11.229 -0.232 1.00 0.00 C ATOM 2209 SD MET A 148 -17.692 -12.343 -1.611 1.00 0.00 S ATOM 2210 CE MET A 148 -18.933 -11.808 -2.786 1.00 0.00 C ATOM 0 H MET A 148 -16.045 -10.637 3.727 1.00 0.00 H new ATOM 0 HA MET A 148 -17.120 -9.323 1.424 1.00 0.00 H new ATOM 0 HB2 MET A 148 -16.035 -11.484 0.513 1.00 0.00 H new ATOM 0 HB3 MET A 148 -17.257 -12.355 1.417 1.00 0.00 H new ATOM 0 HG2 MET A 148 -19.038 -11.398 0.130 1.00 0.00 H new ATOM 0 HG3 MET A 148 -17.978 -10.198 -0.583 1.00 0.00 H new ATOM 0 HE1 MET A 148 -18.855 -12.405 -3.695 1.00 0.00 H new ATOM 0 HE2 MET A 148 -19.924 -11.936 -2.352 1.00 0.00 H new ATOM 0 HE3 MET A 148 -18.776 -10.757 -3.028 1.00 0.00 H new ATOM 2220 N GLU A 149 -18.412 -11.461 3.600 1.00 0.00 N ATOM 2221 CA GLU A 149 -19.560 -11.695 4.468 1.00 0.00 C ATOM 2222 C GLU A 149 -19.191 -11.467 5.931 1.00 0.00 C ATOM 2223 O GLU A 149 -18.013 -11.418 6.284 1.00 0.00 O ATOM 2224 CB GLU A 149 -20.085 -13.119 4.279 1.00 0.00 C ATOM 2225 CG GLU A 149 -21.601 -13.219 4.328 1.00 0.00 C ATOM 2226 CD GLU A 149 -22.088 -14.654 4.365 1.00 0.00 C ATOM 2227 OE1 GLU A 149 -21.590 -15.472 3.563 1.00 0.00 O ATOM 2228 OE2 GLU A 149 -22.970 -14.961 5.195 1.00 0.00 O ATOM 0 H GLU A 149 -17.682 -12.171 3.666 1.00 0.00 H new ATOM 0 HA GLU A 149 -20.342 -10.987 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -19.735 -13.503 3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -19.662 -13.759 5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -21.968 -12.691 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -22.023 -12.718 3.457 1.00 0.00 H new ATOM 2235 N GLN A 150 -20.207 -11.326 6.775 1.00 0.00 N ATOM 2236 CA GLN A 150 -19.991 -11.103 8.200 1.00 0.00 C ATOM 2237 C GLN A 150 -19.226 -12.265 8.824 1.00 0.00 C ATOM 2238 O GLN A 150 -19.742 -13.402 8.785 1.00 0.00 O ATOM 2239 CB GLN A 150 -21.331 -10.916 8.917 1.00 0.00 C ATOM 2240 CG GLN A 150 -21.208 -10.233 10.269 1.00 0.00 C ATOM 2241 CD GLN A 150 -21.221 -8.720 10.161 1.00 0.00 C ATOM 2242 OE1 GLN A 150 -20.210 -8.101 9.829 1.00 0.00 O ATOM 2243 NE2 GLN A 150 -22.371 -8.118 10.441 1.00 0.00 N ATOM 2244 OXT GLN A 150 -18.116 -12.030 9.345 1.00 0.00 O ATOM 0 H GLN A 150 -21.188 -11.362 6.497 1.00 0.00 H new ATOM 0 HA GLN A 150 -19.395 -10.197 8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -21.994 -10.329 8.282 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -21.800 -11.891 9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -22.028 -10.555 10.911 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -20.283 -10.551 10.750 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -23.184 -8.672 10.712 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -22.442 -7.102 10.385 1.00 0.00 H new TER 2253 GLN A 150 HETATM 2254 ZN ZN A 151 -14.814 -1.819 1.914 1.00 0.00 ZN