USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 741 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 84 HIS : no HD1:sc= 0.485 K(o=1.8,f=-8.3!) USER MOD Set 1.2: A 86 THR OG1 : rot -76:sc= 1.29 USER MOD Single : A 2 GLN : amide:sc=-0.000202 X(o=-0.0002,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0324 X(o=-0.032,f=-0.22) USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 SER OG : rot 27:sc= 0.348 USER MOD Single : A 13 HIS : no HD1:sc= -0.094 X(o=-0.094,f=-0.49) USER MOD Single : A 17 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.51) USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0199) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.83 X(o=-0.83,f=-0.81) USER MOD Single : A 24 ASN : amide:sc= -1.34 K(o=-1.3,f=-3.8!) USER MOD Single : A 26 TYR OH : rot 144:sc= 0.443 USER MOD Single : A 28 SER OG : rot 180:sc=-0.00852 USER MOD Single : A 31 HIS : no HD1:sc= -0.411 K(o=-0.41,f=-1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00664) USER MOD Single : A 42 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.0089) USER MOD Single : A 48 LYS NZ :NH3+ -117:sc= -0.282 (180deg=-0.323) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 64:sc= 0.131 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 35:sc= 0.0371 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.0511 USER MOD Single : A 67 TYR OH : rot -50:sc= 0.175 USER MOD Single : A 68 THR OG1 : rot -140:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 95:sc= 0.904 USER MOD Single : A 83 ASN : amide:sc= -0.779 X(o=-0.78,f=-0.84) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.834 K(o=-0.83,f=-1.7) USER MOD Single : A 91 LYS NZ :NH3+ 160:sc=-0.00858 (180deg=-0.618) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 2 2.290 -5.400 -3.984 1.00 0.15 N ATOM 40 CA GLN A 2 2.094 -6.382 -5.034 1.00 25.21 C ATOM 41 C GLN A 2 3.126 -7.492 -4.819 1.00 44.24 C ATOM 42 O GLN A 2 4.254 -7.416 -5.301 1.00 42.14 O ATOM 43 CB GLN A 2 2.210 -5.729 -6.417 1.00 71.24 C ATOM 44 CG GLN A 2 1.077 -4.730 -6.695 1.00 73.35 C ATOM 45 CD GLN A 2 1.253 -4.049 -8.053 1.00 1.44 C ATOM 46 OE1 GLN A 2 1.386 -2.829 -8.124 1.00 61.42 O ATOM 47 NE2 GLN A 2 1.263 -4.834 -9.134 1.00 25.52 N ATOM 0 HA GLN A 2 1.092 -6.809 -4.991 1.00 25.21 H new ATOM 0 HB2 GLN A 2 3.169 -5.216 -6.493 1.00 71.24 H new ATOM 0 HB3 GLN A 2 2.202 -6.505 -7.183 1.00 71.24 H new ATOM 0 HG2 GLN A 2 0.118 -5.248 -6.668 1.00 73.35 H new ATOM 0 HG3 GLN A 2 1.054 -3.976 -5.908 1.00 73.35 H new ATOM 0 HE21 GLN A 2 1.149 -5.843 -9.033 1.00 25.52 H new ATOM 0 HE22 GLN A 2 1.384 -4.425 -10.060 1.00 25.52 H new ATOM 56 N ARG A 3 2.722 -8.499 -4.041 1.00 35.55 N ATOM 57 CA ARG A 3 3.525 -9.641 -3.628 1.00 4.13 C ATOM 58 C ARG A 3 3.682 -10.623 -4.792 1.00 21.42 C ATOM 59 O ARG A 3 2.761 -10.796 -5.589 1.00 20.11 O ATOM 60 CB ARG A 3 2.853 -10.307 -2.414 1.00 53.41 C ATOM 61 CG ARG A 3 3.863 -11.027 -1.512 1.00 22.15 C ATOM 62 CD ARG A 3 3.188 -11.762 -0.344 1.00 34.42 C ATOM 63 NE ARG A 3 2.322 -10.883 0.455 1.00 24.24 N ATOM 64 CZ ARG A 3 1.465 -11.313 1.397 1.00 5.12 C ATOM 65 NH1 ARG A 3 1.390 -12.612 1.724 1.00 53.12 N ATOM 66 NH2 ARG A 3 0.660 -10.432 2.007 1.00 14.22 N ATOM 0 H ARG A 3 1.775 -8.537 -3.665 1.00 35.55 H new ATOM 0 HA ARG A 3 4.524 -9.314 -3.340 1.00 4.13 H new ATOM 0 HB2 ARG A 3 2.325 -9.550 -1.833 1.00 53.41 H new ATOM 0 HB3 ARG A 3 2.106 -11.021 -2.761 1.00 53.41 H new ATOM 0 HG2 ARG A 3 4.432 -11.742 -2.107 1.00 22.15 H new ATOM 0 HG3 ARG A 3 4.575 -10.302 -1.118 1.00 22.15 H new ATOM 0 HD2 ARG A 3 2.597 -12.590 -0.734 1.00 34.42 H new ATOM 0 HD3 ARG A 3 3.954 -12.193 0.300 1.00 34.42 H new ATOM 0 HE ARG A 3 2.375 -9.879 0.283 1.00 24.24 H new ATOM 0 HH11 ARG A 3 1.989 -13.291 1.255 1.00 53.12 H new ATOM 0 HH12 ARG A 3 0.734 -12.920 2.441 1.00 53.12 H new ATOM 0 HH21 ARG A 3 0.701 -9.444 1.755 1.00 14.22 H new ATOM 0 HH22 ARG A 3 0.006 -10.749 2.723 1.00 14.22 H new ATOM 80 N THR A 4 4.859 -11.252 -4.888 1.00 40.04 N ATOM 81 CA THR A 4 5.220 -12.176 -5.956 1.00 45.44 C ATOM 82 C THR A 4 4.793 -13.609 -5.595 1.00 23.45 C ATOM 83 O THR A 4 4.759 -13.945 -4.413 1.00 53.53 O ATOM 84 CB THR A 4 6.743 -12.120 -6.175 1.00 74.53 C ATOM 85 OG1 THR A 4 7.420 -12.543 -5.008 1.00 44.02 O ATOM 86 CG2 THR A 4 7.227 -10.714 -6.545 1.00 11.42 C ATOM 0 H THR A 4 5.604 -11.125 -4.203 1.00 40.04 H new ATOM 0 HA THR A 4 4.705 -11.886 -6.872 1.00 45.44 H new ATOM 0 HB THR A 4 6.966 -12.787 -7.008 1.00 74.53 H new ATOM 0 HG1 THR A 4 8.388 -12.505 -5.159 1.00 44.02 H new ATOM 0 HG21 THR A 4 8.307 -10.727 -6.689 1.00 11.42 H new ATOM 0 HG22 THR A 4 6.742 -10.393 -7.467 1.00 11.42 H new ATOM 0 HG23 THR A 4 6.976 -10.020 -5.743 1.00 11.42 H new ATOM 94 N PRO A 5 4.510 -14.474 -6.586 1.00 31.30 N ATOM 95 CA PRO A 5 4.277 -15.896 -6.364 1.00 12.22 C ATOM 96 C PRO A 5 5.564 -16.584 -5.896 1.00 23.33 C ATOM 97 O PRO A 5 6.629 -16.369 -6.473 1.00 3.01 O ATOM 98 CB PRO A 5 3.816 -16.465 -7.711 1.00 32.54 C ATOM 99 CG PRO A 5 4.405 -15.493 -8.733 1.00 44.12 C ATOM 100 CD PRO A 5 4.408 -14.152 -8.000 1.00 4.30 C ATOM 0 HA PRO A 5 3.530 -16.062 -5.588 1.00 12.22 H new ATOM 0 HB2 PRO A 5 4.184 -17.480 -7.865 1.00 32.54 H new ATOM 0 HB3 PRO A 5 2.729 -16.507 -7.778 1.00 32.54 H new ATOM 0 HG2 PRO A 5 5.411 -15.788 -9.032 1.00 44.12 H new ATOM 0 HG3 PRO A 5 3.802 -15.452 -9.640 1.00 44.12 H new ATOM 0 HD2 PRO A 5 5.245 -13.533 -8.321 1.00 4.30 H new ATOM 0 HD3 PRO A 5 3.497 -13.590 -8.208 1.00 4.30 H new ATOM 108 N LYS A 6 5.451 -17.417 -4.854 1.00 3.20 N ATOM 109 CA LYS A 6 6.544 -18.203 -4.297 1.00 40.25 C ATOM 110 C LYS A 6 6.538 -19.576 -4.973 1.00 31.11 C ATOM 111 O LYS A 6 5.640 -20.381 -4.733 1.00 54.42 O ATOM 112 CB LYS A 6 6.363 -18.345 -2.778 1.00 11.21 C ATOM 113 CG LYS A 6 6.840 -17.133 -1.962 1.00 3.31 C ATOM 114 CD LYS A 6 6.197 -15.807 -2.388 1.00 33.41 C ATOM 115 CE LYS A 6 6.381 -14.707 -1.338 1.00 14.32 C ATOM 116 NZ LYS A 6 5.407 -14.835 -0.240 1.00 40.41 N ATOM 0 H LYS A 6 4.568 -17.563 -4.365 1.00 3.20 H new ATOM 0 HA LYS A 6 7.499 -17.710 -4.477 1.00 40.25 H new ATOM 0 HB2 LYS A 6 5.308 -18.517 -2.565 1.00 11.21 H new ATOM 0 HB3 LYS A 6 6.905 -19.229 -2.442 1.00 11.21 H new ATOM 0 HG2 LYS A 6 6.624 -17.309 -0.908 1.00 3.31 H new ATOM 0 HG3 LYS A 6 7.923 -17.047 -2.055 1.00 3.31 H new ATOM 0 HD2 LYS A 6 6.633 -15.481 -3.332 1.00 33.41 H new ATOM 0 HD3 LYS A 6 5.133 -15.962 -2.565 1.00 33.41 H new ATOM 0 HE2 LYS A 6 7.393 -14.754 -0.935 1.00 14.32 H new ATOM 0 HE3 LYS A 6 6.271 -13.731 -1.810 1.00 14.32 H new ATOM 0 HZ1 LYS A 6 5.562 -14.074 0.452 1.00 40.41 H new ATOM 0 HZ2 LYS A 6 4.442 -14.765 -0.622 1.00 40.41 H new ATOM 0 HZ3 LYS A 6 5.529 -15.757 0.226 1.00 40.41 H new ATOM 130 N ILE A 7 7.541 -19.826 -5.821 1.00 20.21 N ATOM 131 CA ILE A 7 7.692 -21.040 -6.616 1.00 60.23 C ATOM 132 C ILE A 7 7.964 -22.245 -5.708 1.00 63.11 C ATOM 133 O ILE A 7 8.726 -22.134 -4.748 1.00 60.33 O ATOM 134 CB ILE A 7 8.825 -20.808 -7.641 1.00 65.32 C ATOM 135 CG1 ILE A 7 8.310 -20.087 -8.901 1.00 61.34 C ATOM 136 CG2 ILE A 7 9.512 -22.108 -8.089 1.00 20.12 C ATOM 137 CD1 ILE A 7 7.688 -18.711 -8.647 1.00 21.41 C ATOM 0 H ILE A 7 8.297 -19.159 -5.975 1.00 20.21 H new ATOM 0 HA ILE A 7 6.772 -21.264 -7.156 1.00 60.23 H new ATOM 0 HB ILE A 7 9.553 -20.189 -7.117 1.00 65.32 H new ATOM 0 HG12 ILE A 7 9.138 -19.972 -9.600 1.00 61.34 H new ATOM 0 HG13 ILE A 7 7.568 -20.721 -9.387 1.00 61.34 H new ATOM 0 HG21 ILE A 7 10.297 -21.875 -8.808 1.00 20.12 H new ATOM 0 HG22 ILE A 7 9.949 -22.606 -7.223 1.00 20.12 H new ATOM 0 HG23 ILE A 7 8.778 -22.766 -8.554 1.00 20.12 H new ATOM 0 HD11 ILE A 7 7.355 -18.282 -9.592 1.00 21.41 H new ATOM 0 HD12 ILE A 7 6.836 -18.815 -7.976 1.00 21.41 H new ATOM 0 HD13 ILE A 7 8.430 -18.055 -8.192 1.00 21.41 H new ATOM 149 N GLN A 8 7.361 -23.399 -6.037 1.00 1.14 N ATOM 150 CA GLN A 8 7.647 -24.680 -5.401 1.00 23.44 C ATOM 151 C GLN A 8 7.144 -25.804 -6.322 1.00 52.31 C ATOM 152 O GLN A 8 6.026 -26.290 -6.161 1.00 55.31 O ATOM 153 CB GLN A 8 7.049 -24.720 -3.975 1.00 61.11 C ATOM 154 CG GLN A 8 7.958 -25.426 -2.959 1.00 44.04 C ATOM 155 CD GLN A 8 8.044 -26.934 -3.179 1.00 31.40 C ATOM 156 OE1 GLN A 8 7.320 -27.695 -2.540 1.00 34.42 O ATOM 157 NE2 GLN A 8 8.942 -27.372 -4.064 1.00 42.21 N ATOM 0 H GLN A 8 6.650 -23.461 -6.766 1.00 1.14 H new ATOM 0 HA GLN A 8 8.719 -24.823 -5.268 1.00 23.44 H new ATOM 0 HB2 GLN A 8 6.861 -23.701 -3.638 1.00 61.11 H new ATOM 0 HB3 GLN A 8 6.085 -25.229 -4.006 1.00 61.11 H new ATOM 0 HG2 GLN A 8 8.959 -24.999 -3.018 1.00 44.04 H new ATOM 0 HG3 GLN A 8 7.587 -25.232 -1.953 1.00 44.04 H new ATOM 0 HE21 GLN A 8 9.523 -26.706 -4.573 1.00 42.21 H new ATOM 0 HE22 GLN A 8 9.047 -28.373 -4.231 1.00 42.21 H new ATOM 166 N VAL A 9 7.966 -26.180 -7.314 1.00 32.33 N ATOM 167 CA VAL A 9 7.631 -27.160 -8.346 1.00 72.42 C ATOM 168 C VAL A 9 8.252 -28.511 -7.997 1.00 51.15 C ATOM 169 O VAL A 9 9.419 -28.763 -8.296 1.00 13.50 O ATOM 170 CB VAL A 9 8.124 -26.684 -9.720 1.00 4.33 C ATOM 171 CG1 VAL A 9 7.783 -27.678 -10.841 1.00 4.00 C ATOM 172 CG2 VAL A 9 7.496 -25.343 -10.104 1.00 31.41 C ATOM 0 H VAL A 9 8.906 -25.798 -7.419 1.00 32.33 H new ATOM 0 HA VAL A 9 6.547 -27.268 -8.391 1.00 72.42 H new ATOM 0 HB VAL A 9 9.206 -26.593 -9.623 1.00 4.33 H new ATOM 0 HG11 VAL A 9 8.153 -27.295 -11.792 1.00 4.00 H new ATOM 0 HG12 VAL A 9 8.252 -28.639 -10.630 1.00 4.00 H new ATOM 0 HG13 VAL A 9 6.702 -27.806 -10.897 1.00 4.00 H new ATOM 0 HG21 VAL A 9 7.866 -25.035 -11.082 1.00 31.41 H new ATOM 0 HG22 VAL A 9 6.412 -25.447 -10.143 1.00 31.41 H new ATOM 0 HG23 VAL A 9 7.762 -24.591 -9.362 1.00 31.41 H new ATOM 182 N TYR A 10 7.448 -29.370 -7.372 1.00 44.23 N ATOM 183 CA TYR A 10 7.835 -30.711 -6.949 1.00 42.42 C ATOM 184 C TYR A 10 7.050 -31.764 -7.725 1.00 42.23 C ATOM 185 O TYR A 10 5.927 -31.512 -8.159 1.00 52.22 O ATOM 186 CB TYR A 10 7.586 -30.882 -5.445 1.00 42.21 C ATOM 187 CG TYR A 10 6.161 -30.650 -4.979 1.00 64.21 C ATOM 188 CD1 TYR A 10 5.721 -29.342 -4.711 1.00 23.23 C ATOM 189 CD2 TYR A 10 5.311 -31.740 -4.711 1.00 41.22 C ATOM 190 CE1 TYR A 10 4.448 -29.119 -4.163 1.00 0.04 C ATOM 191 CE2 TYR A 10 4.036 -31.517 -4.162 1.00 54.05 C ATOM 192 CZ TYR A 10 3.604 -30.207 -3.887 1.00 52.43 C ATOM 193 OH TYR A 10 2.369 -29.989 -3.349 1.00 15.32 O ATOM 0 H TYR A 10 6.481 -29.143 -7.140 1.00 44.23 H new ATOM 0 HA TYR A 10 8.897 -30.844 -7.154 1.00 42.42 H new ATOM 0 HB2 TYR A 10 7.881 -31.892 -5.160 1.00 42.21 H new ATOM 0 HB3 TYR A 10 8.240 -30.195 -4.908 1.00 42.21 H new ATOM 0 HD1 TYR A 10 6.366 -28.504 -4.928 1.00 23.23 H new ATOM 0 HD2 TYR A 10 5.638 -32.746 -4.927 1.00 41.22 H new ATOM 0 HE1 TYR A 10 4.118 -28.112 -3.954 1.00 0.04 H new ATOM 0 HE2 TYR A 10 3.387 -32.354 -3.951 1.00 54.05 H new ATOM 0 HH TYR A 10 2.033 -29.117 -3.644 1.00 15.32 H new ATOM 203 N SER A 11 7.623 -32.965 -7.838 1.00 22.30 N ATOM 204 CA SER A 11 6.897 -34.153 -8.252 1.00 64.35 C ATOM 205 C SER A 11 6.313 -34.819 -7.005 1.00 63.55 C ATOM 206 O SER A 11 7.063 -35.186 -6.101 1.00 51.23 O ATOM 207 CB SER A 11 7.839 -35.096 -9.004 1.00 35.53 C ATOM 208 OG SER A 11 8.973 -35.419 -8.227 1.00 32.25 O ATOM 0 H SER A 11 8.610 -33.134 -7.642 1.00 22.30 H new ATOM 0 HA SER A 11 6.082 -33.893 -8.928 1.00 64.35 H new ATOM 0 HB2 SER A 11 7.306 -36.009 -9.270 1.00 35.53 H new ATOM 0 HB3 SER A 11 8.156 -34.629 -9.936 1.00 35.53 H new ATOM 0 HG SER A 11 8.747 -35.354 -7.276 1.00 32.25 H new ATOM 214 N ARG A 12 4.985 -34.976 -6.949 1.00 0.44 N ATOM 215 CA ARG A 12 4.319 -35.686 -5.863 1.00 24.20 C ATOM 216 C ARG A 12 4.762 -37.149 -5.871 1.00 15.30 C ATOM 217 O ARG A 12 5.298 -37.642 -4.880 1.00 12.50 O ATOM 218 CB ARG A 12 2.798 -35.574 -6.021 1.00 4.44 C ATOM 219 CG ARG A 12 2.013 -36.150 -4.832 1.00 34.10 C ATOM 220 CD ARG A 12 1.869 -35.139 -3.689 1.00 71.42 C ATOM 221 NE ARG A 12 1.081 -33.972 -4.108 1.00 24.53 N ATOM 222 CZ ARG A 12 0.726 -32.952 -3.310 1.00 21.10 C ATOM 223 NH1 ARG A 12 1.043 -32.953 -2.007 1.00 0.40 N ATOM 224 NH2 ARG A 12 0.052 -31.920 -3.831 1.00 74.11 N ATOM 0 H ARG A 12 4.347 -34.613 -7.657 1.00 0.44 H new ATOM 0 HA ARG A 12 4.594 -35.241 -4.907 1.00 24.20 H new ATOM 0 HB2 ARG A 12 2.530 -34.525 -6.149 1.00 4.44 H new ATOM 0 HB3 ARG A 12 2.496 -36.093 -6.931 1.00 4.44 H new ATOM 0 HG2 ARG A 12 1.023 -36.459 -5.168 1.00 34.10 H new ATOM 0 HG3 ARG A 12 2.518 -37.043 -4.464 1.00 34.10 H new ATOM 0 HD2 ARG A 12 1.389 -35.617 -2.835 1.00 71.42 H new ATOM 0 HD3 ARG A 12 2.856 -34.815 -3.360 1.00 71.42 H new ATOM 0 HE ARG A 12 0.780 -33.934 -5.082 1.00 24.53 H new ATOM 0 HH11 ARG A 12 1.561 -33.736 -1.609 1.00 0.40 H new ATOM 0 HH12 ARG A 12 0.766 -32.171 -1.414 1.00 0.40 H new ATOM 0 HH21 ARG A 12 -0.186 -31.915 -4.823 1.00 74.11 H new ATOM 0 HH22 ARG A 12 -0.224 -31.139 -3.236 1.00 74.11 H new ATOM 238 N HIS A 13 4.538 -37.831 -7.001 1.00 63.52 N ATOM 239 CA HIS A 13 4.943 -39.212 -7.208 1.00 12.01 C ATOM 240 C HIS A 13 6.417 -39.221 -7.626 1.00 71.53 C ATOM 241 O HIS A 13 6.813 -38.371 -8.422 1.00 20.20 O ATOM 242 CB HIS A 13 4.062 -39.843 -8.294 1.00 13.00 C ATOM 243 CG HIS A 13 2.642 -40.128 -7.870 1.00 71.33 C ATOM 244 ND1 HIS A 13 1.990 -39.421 -6.869 1.00 0.24 N ATOM 245 CD2 HIS A 13 1.721 -41.048 -8.316 1.00 73.21 C ATOM 246 CE1 HIS A 13 0.754 -39.934 -6.755 1.00 23.44 C ATOM 247 NE2 HIS A 13 0.527 -40.931 -7.612 1.00 14.40 N ATOM 0 H HIS A 13 4.062 -37.425 -7.806 1.00 63.52 H new ATOM 0 HA HIS A 13 4.824 -39.793 -6.294 1.00 12.01 H new ATOM 0 HB2 HIS A 13 4.042 -39.178 -9.158 1.00 13.00 H new ATOM 0 HB3 HIS A 13 4.523 -40.775 -8.620 1.00 13.00 H new ATOM 0 HD2 HIS A 13 1.901 -41.763 -9.105 1.00 73.21 H new ATOM 0 HE1 HIS A 13 0.022 -39.578 -6.045 1.00 23.44 H new ATOM 0 HE2 HIS A 13 -0.325 -41.480 -7.725 1.00 14.40 H new ATOM 255 N PRO A 14 7.240 -40.152 -7.113 1.00 2.14 N ATOM 256 CA PRO A 14 8.662 -40.194 -7.410 1.00 41.53 C ATOM 257 C PRO A 14 8.871 -40.583 -8.874 1.00 51.22 C ATOM 258 O PRO A 14 8.398 -41.632 -9.311 1.00 52.42 O ATOM 259 CB PRO A 14 9.260 -41.211 -6.435 1.00 43.43 C ATOM 260 CG PRO A 14 8.091 -42.145 -6.127 1.00 41.13 C ATOM 261 CD PRO A 14 6.872 -41.225 -6.204 1.00 33.12 C ATOM 0 HA PRO A 14 9.151 -39.228 -7.284 1.00 41.53 H new ATOM 0 HB2 PRO A 14 10.097 -41.749 -6.881 1.00 43.43 H new ATOM 0 HB3 PRO A 14 9.636 -40.728 -5.533 1.00 43.43 H new ATOM 0 HG2 PRO A 14 8.026 -42.959 -6.849 1.00 41.13 H new ATOM 0 HG3 PRO A 14 8.189 -42.600 -5.141 1.00 41.13 H new ATOM 0 HD2 PRO A 14 5.998 -41.764 -6.570 1.00 33.12 H new ATOM 0 HD3 PRO A 14 6.616 -40.833 -5.220 1.00 33.12 H new ATOM 269 N ALA A 15 9.546 -39.701 -9.624 1.00 63.45 N ATOM 270 CA ALA A 15 9.731 -39.790 -11.065 1.00 35.43 C ATOM 271 C ALA A 15 10.530 -41.029 -11.461 1.00 73.34 C ATOM 272 O ALA A 15 11.759 -40.995 -11.507 1.00 4.10 O ATOM 273 CB ALA A 15 10.409 -38.513 -11.562 1.00 72.11 C ATOM 0 H ALA A 15 9.992 -38.877 -9.221 1.00 63.45 H new ATOM 0 HA ALA A 15 8.753 -39.889 -11.537 1.00 35.43 H new ATOM 0 HB1 ALA A 15 10.551 -38.573 -12.641 1.00 72.11 H new ATOM 0 HB2 ALA A 15 9.783 -37.653 -11.325 1.00 72.11 H new ATOM 0 HB3 ALA A 15 11.377 -38.402 -11.074 1.00 72.11 H new ATOM 279 N GLU A 16 9.812 -42.112 -11.777 1.00 22.30 N ATOM 280 CA GLU A 16 10.382 -43.340 -12.302 1.00 13.03 C ATOM 281 C GLU A 16 10.520 -43.172 -13.815 1.00 21.43 C ATOM 282 O GLU A 16 9.609 -42.661 -14.467 1.00 32.25 O ATOM 283 CB GLU A 16 9.477 -44.515 -11.906 1.00 54.12 C ATOM 284 CG GLU A 16 10.113 -45.902 -12.083 1.00 43.04 C ATOM 285 CD GLU A 16 10.252 -46.345 -13.539 1.00 13.25 C ATOM 286 OE1 GLU A 16 9.203 -46.455 -14.207 1.00 55.53 O ATOM 287 OE2 GLU A 16 11.404 -46.594 -13.954 1.00 72.35 O ATOM 0 H GLU A 16 8.798 -42.152 -11.670 1.00 22.30 H new ATOM 0 HA GLU A 16 11.370 -43.551 -11.892 1.00 13.03 H new ATOM 0 HB2 GLU A 16 9.184 -44.395 -10.863 1.00 54.12 H new ATOM 0 HB3 GLU A 16 8.565 -44.470 -12.501 1.00 54.12 H new ATOM 0 HG2 GLU A 16 11.100 -45.899 -11.620 1.00 43.04 H new ATOM 0 HG3 GLU A 16 9.512 -46.636 -11.547 1.00 43.04 H new ATOM 294 N ASN A 17 11.680 -43.571 -14.349 1.00 44.31 N ATOM 295 CA ASN A 17 12.049 -43.475 -15.754 1.00 22.41 C ATOM 296 C ASN A 17 10.935 -44.032 -16.646 1.00 0.25 C ATOM 297 O ASN A 17 10.733 -45.244 -16.694 1.00 0.33 O ATOM 298 CB ASN A 17 13.371 -44.239 -15.947 1.00 0.22 C ATOM 299 CG ASN A 17 13.878 -44.274 -17.391 1.00 22.21 C ATOM 300 OD1 ASN A 17 14.882 -43.642 -17.710 1.00 21.21 O ATOM 301 ND2 ASN A 17 13.219 -45.045 -18.260 1.00 3.34 N ATOM 0 H ASN A 17 12.417 -43.988 -13.781 1.00 44.31 H new ATOM 0 HA ASN A 17 12.186 -42.433 -16.044 1.00 22.41 H new ATOM 0 HB2 ASN A 17 14.135 -43.783 -15.318 1.00 0.22 H new ATOM 0 HB3 ASN A 17 13.239 -45.263 -15.596 1.00 0.22 H new ATOM 0 HD21 ASN A 17 13.546 -45.123 -19.223 1.00 3.34 H new ATOM 0 HD22 ASN A 17 12.389 -45.556 -17.961 1.00 3.34 H new ATOM 308 N GLY A 18 10.230 -43.149 -17.366 1.00 53.43 N ATOM 309 CA GLY A 18 9.206 -43.540 -18.320 1.00 73.41 C ATOM 310 C GLY A 18 7.994 -44.136 -17.609 1.00 15.12 C ATOM 311 O GLY A 18 7.691 -45.316 -17.779 1.00 31.23 O ATOM 0 H GLY A 18 10.361 -42.140 -17.296 1.00 53.43 H new ATOM 0 HA2 GLY A 18 8.899 -42.673 -18.905 1.00 73.41 H new ATOM 0 HA3 GLY A 18 9.615 -44.268 -19.020 1.00 73.41 H new ATOM 315 N LYS A 19 7.306 -43.309 -16.814 1.00 71.12 N ATOM 316 CA LYS A 19 6.143 -43.694 -16.026 1.00 3.05 C ATOM 317 C LYS A 19 5.305 -42.447 -15.758 1.00 61.11 C ATOM 318 O LYS A 19 5.835 -41.343 -15.794 1.00 31.52 O ATOM 319 CB LYS A 19 6.620 -44.338 -14.718 1.00 12.42 C ATOM 320 CG LYS A 19 5.500 -45.060 -13.960 1.00 1.42 C ATOM 321 CD LYS A 19 6.050 -45.809 -12.738 1.00 71.42 C ATOM 322 CE LYS A 19 4.970 -46.663 -12.068 1.00 14.23 C ATOM 323 NZ LYS A 19 3.908 -45.830 -11.480 1.00 51.43 N ATOM 0 H LYS A 19 7.555 -42.326 -16.702 1.00 71.12 H new ATOM 0 HA LYS A 19 5.529 -44.419 -16.560 1.00 3.05 H new ATOM 0 HB2 LYS A 19 7.417 -45.048 -14.939 1.00 12.42 H new ATOM 0 HB3 LYS A 19 7.048 -43.568 -14.076 1.00 12.42 H new ATOM 0 HG2 LYS A 19 4.750 -44.337 -13.639 1.00 1.42 H new ATOM 0 HG3 LYS A 19 5.001 -45.763 -14.627 1.00 1.42 H new ATOM 0 HD2 LYS A 19 6.880 -46.445 -13.044 1.00 71.42 H new ATOM 0 HD3 LYS A 19 6.446 -45.092 -12.019 1.00 71.42 H new ATOM 0 HE2 LYS A 19 4.536 -47.343 -12.801 1.00 14.23 H new ATOM 0 HE3 LYS A 19 5.422 -47.279 -11.291 1.00 14.23 H new ATOM 0 HZ1 LYS A 19 3.230 -46.437 -10.977 1.00 51.43 H new ATOM 0 HZ2 LYS A 19 4.328 -45.152 -10.812 1.00 51.43 H new ATOM 0 HZ3 LYS A 19 3.415 -45.312 -12.235 1.00 51.43 H new ATOM 337 N SER A 20 4.005 -42.619 -15.497 1.00 60.51 N ATOM 338 CA SER A 20 3.083 -41.530 -15.200 1.00 14.02 C ATOM 339 C SER A 20 3.331 -40.987 -13.787 1.00 73.14 C ATOM 340 O SER A 20 3.445 -41.769 -12.843 1.00 14.24 O ATOM 341 CB SER A 20 1.649 -42.050 -15.343 1.00 1.33 C ATOM 342 OG SER A 20 1.425 -42.515 -16.658 1.00 1.44 O ATOM 0 H SER A 20 3.561 -43.537 -15.487 1.00 60.51 H new ATOM 0 HA SER A 20 3.242 -40.709 -15.899 1.00 14.02 H new ATOM 0 HB2 SER A 20 1.474 -42.856 -14.630 1.00 1.33 H new ATOM 0 HB3 SER A 20 0.941 -41.256 -15.105 1.00 1.33 H new ATOM 0 HG SER A 20 0.506 -42.846 -16.736 1.00 1.44 H new ATOM 348 N ASN A 21 3.421 -39.656 -13.645 1.00 14.03 N ATOM 349 CA ASN A 21 3.677 -38.963 -12.383 1.00 73.41 C ATOM 350 C ASN A 21 2.919 -37.633 -12.346 1.00 1.30 C ATOM 351 O ASN A 21 2.436 -37.160 -13.369 1.00 52.22 O ATOM 352 CB ASN A 21 5.184 -38.707 -12.225 1.00 74.55 C ATOM 353 CG ASN A 21 5.983 -39.995 -12.040 1.00 22.15 C ATOM 354 OD1 ASN A 21 6.440 -40.597 -13.008 1.00 13.30 O ATOM 355 ND2 ASN A 21 6.168 -40.412 -10.787 1.00 3.00 N ATOM 0 H ASN A 21 3.314 -39.017 -14.432 1.00 14.03 H new ATOM 0 HA ASN A 21 3.330 -39.590 -11.561 1.00 73.41 H new ATOM 0 HB2 ASN A 21 5.553 -38.178 -13.104 1.00 74.55 H new ATOM 0 HB3 ASN A 21 5.350 -38.055 -11.368 1.00 74.55 H new ATOM 0 HD21 ASN A 21 6.706 -41.260 -10.606 1.00 3.00 H new ATOM 0 HD22 ASN A 21 5.772 -39.883 -10.010 1.00 3.00 H new ATOM 362 N PHE A 22 2.809 -37.025 -11.157 1.00 42.24 N ATOM 363 CA PHE A 22 2.100 -35.765 -10.956 1.00 71.24 C ATOM 364 C PHE A 22 3.074 -34.641 -10.610 1.00 0.34 C ATOM 365 O PHE A 22 3.705 -34.681 -9.555 1.00 13.01 O ATOM 366 CB PHE A 22 1.060 -35.946 -9.847 1.00 33.11 C ATOM 367 CG PHE A 22 -0.071 -36.873 -10.244 1.00 54.31 C ATOM 368 CD1 PHE A 22 0.080 -38.265 -10.107 1.00 14.05 C ATOM 369 CD2 PHE A 22 -1.218 -36.354 -10.873 1.00 52.34 C ATOM 370 CE1 PHE A 22 -0.923 -39.133 -10.567 1.00 41.11 C ATOM 371 CE2 PHE A 22 -2.229 -37.222 -11.320 1.00 74.22 C ATOM 372 CZ PHE A 22 -2.082 -38.611 -11.168 1.00 3.02 C ATOM 0 H PHE A 22 3.216 -37.403 -10.301 1.00 42.24 H new ATOM 0 HA PHE A 22 1.595 -35.486 -11.881 1.00 71.24 H new ATOM 0 HB2 PHE A 22 1.550 -36.340 -8.957 1.00 33.11 H new ATOM 0 HB3 PHE A 22 0.648 -34.973 -9.580 1.00 33.11 H new ATOM 0 HD1 PHE A 22 0.970 -38.667 -9.647 1.00 14.05 H new ATOM 0 HD2 PHE A 22 -1.321 -35.288 -11.012 1.00 52.34 H new ATOM 0 HE1 PHE A 22 -0.804 -40.201 -10.459 1.00 41.11 H new ATOM 0 HE2 PHE A 22 -3.120 -36.821 -11.781 1.00 74.22 H new ATOM 0 HZ PHE A 22 -2.859 -39.277 -11.513 1.00 3.02 H new ATOM 382 N LEU A 23 3.174 -33.634 -11.487 1.00 11.31 N ATOM 383 CA LEU A 23 3.912 -32.399 -11.252 1.00 62.11 C ATOM 384 C LEU A 23 3.000 -31.468 -10.460 1.00 23.24 C ATOM 385 O LEU A 23 1.785 -31.566 -10.601 1.00 0.01 O ATOM 386 CB LEU A 23 4.277 -31.766 -12.603 1.00 75.45 C ATOM 387 CG LEU A 23 5.317 -30.638 -12.536 1.00 42.41 C ATOM 388 CD1 LEU A 23 6.717 -31.188 -12.235 1.00 32.23 C ATOM 389 CD2 LEU A 23 5.340 -29.919 -13.889 1.00 71.12 C ATOM 0 H LEU A 23 2.729 -33.663 -12.404 1.00 11.31 H new ATOM 0 HA LEU A 23 4.832 -32.585 -10.698 1.00 62.11 H new ATOM 0 HB2 LEU A 23 4.654 -32.548 -13.262 1.00 75.45 H new ATOM 0 HB3 LEU A 23 3.368 -31.374 -13.060 1.00 75.45 H new ATOM 0 HG LEU A 23 5.042 -29.953 -11.734 1.00 42.41 H new ATOM 0 HD11 LEU A 23 7.430 -30.365 -12.194 1.00 32.23 H new ATOM 0 HD12 LEU A 23 6.706 -31.706 -11.276 1.00 32.23 H new ATOM 0 HD13 LEU A 23 7.011 -31.884 -13.020 1.00 32.23 H new ATOM 0 HD21 LEU A 23 6.074 -29.113 -13.861 1.00 71.12 H new ATOM 0 HD22 LEU A 23 5.609 -30.627 -14.673 1.00 71.12 H new ATOM 0 HD23 LEU A 23 4.354 -29.504 -14.097 1.00 71.12 H new ATOM 401 N ASN A 24 3.565 -30.610 -9.602 1.00 4.23 N ATOM 402 CA ASN A 24 2.805 -29.785 -8.671 1.00 12.13 C ATOM 403 C ASN A 24 3.472 -28.418 -8.533 1.00 72.11 C ATOM 404 O ASN A 24 4.292 -28.217 -7.639 1.00 11.52 O ATOM 405 CB ASN A 24 2.710 -30.494 -7.313 1.00 4.34 C ATOM 406 CG ASN A 24 1.759 -31.691 -7.345 1.00 75.23 C ATOM 407 OD1 ASN A 24 0.627 -31.607 -6.875 1.00 13.53 O ATOM 408 ND2 ASN A 24 2.215 -32.817 -7.894 1.00 41.22 N ATOM 0 H ASN A 24 4.574 -30.472 -9.538 1.00 4.23 H new ATOM 0 HA ASN A 24 1.794 -29.635 -9.050 1.00 12.13 H new ATOM 0 HB2 ASN A 24 3.702 -30.830 -7.011 1.00 4.34 H new ATOM 0 HB3 ASN A 24 2.371 -29.784 -6.559 1.00 4.34 H new ATOM 0 HD21 ASN A 24 1.618 -33.643 -7.933 1.00 41.22 H new ATOM 0 HD22 ASN A 24 3.160 -32.852 -8.275 1.00 41.22 H new ATOM 415 N CYS A 25 3.087 -27.478 -9.407 1.00 72.42 N ATOM 416 CA CYS A 25 3.544 -26.096 -9.361 1.00 24.20 C ATOM 417 C CYS A 25 2.717 -25.320 -8.334 1.00 32.42 C ATOM 418 O CYS A 25 1.668 -24.764 -8.654 1.00 74.31 O ATOM 419 CB CYS A 25 3.506 -25.481 -10.766 1.00 35.24 C ATOM 420 SG CYS A 25 4.192 -23.807 -10.867 1.00 20.20 S ATOM 0 H CYS A 25 2.441 -27.666 -10.173 1.00 72.42 H new ATOM 0 HA CYS A 25 4.583 -26.048 -9.035 1.00 24.20 H new ATOM 0 HB2 CYS A 25 4.057 -26.128 -11.448 1.00 35.24 H new ATOM 0 HB3 CYS A 25 2.473 -25.459 -11.112 1.00 35.24 H new ATOM 425 N TYR A 26 3.198 -25.317 -7.085 1.00 43.22 N ATOM 426 CA TYR A 26 2.503 -24.765 -5.934 1.00 52.31 C ATOM 427 C TYR A 26 2.944 -23.317 -5.704 1.00 51.15 C ATOM 428 O TYR A 26 3.976 -23.072 -5.079 1.00 21.24 O ATOM 429 CB TYR A 26 2.775 -25.672 -4.730 1.00 3.01 C ATOM 430 CG TYR A 26 2.074 -25.261 -3.452 1.00 60.13 C ATOM 431 CD1 TYR A 26 2.800 -24.654 -2.411 1.00 51.51 C ATOM 432 CD2 TYR A 26 0.707 -25.546 -3.279 1.00 21.11 C ATOM 433 CE1 TYR A 26 2.163 -24.342 -1.198 1.00 3.42 C ATOM 434 CE2 TYR A 26 0.073 -25.243 -2.062 1.00 52.03 C ATOM 435 CZ TYR A 26 0.797 -24.629 -1.025 1.00 52.43 C ATOM 436 OH TYR A 26 0.176 -24.315 0.149 1.00 3.50 O ATOM 0 H TYR A 26 4.108 -25.712 -6.849 1.00 43.22 H new ATOM 0 HA TYR A 26 1.426 -24.735 -6.099 1.00 52.31 H new ATOM 0 HB2 TYR A 26 2.472 -26.688 -4.983 1.00 3.01 H new ATOM 0 HB3 TYR A 26 3.849 -25.696 -4.547 1.00 3.01 H new ATOM 0 HD1 TYR A 26 3.848 -24.428 -2.544 1.00 51.51 H new ATOM 0 HD2 TYR A 26 0.144 -25.998 -4.082 1.00 21.11 H new ATOM 0 HE1 TYR A 26 2.723 -23.881 -0.398 1.00 3.42 H new ATOM 0 HE2 TYR A 26 -0.971 -25.482 -1.923 1.00 52.03 H new ATOM 0 HH TYR A 26 -0.742 -24.024 -0.034 1.00 3.50 H new ATOM 446 N VAL A 27 2.167 -22.367 -6.244 1.00 22.45 N ATOM 447 CA VAL A 27 2.525 -20.954 -6.313 1.00 63.11 C ATOM 448 C VAL A 27 1.706 -20.174 -5.283 1.00 12.00 C ATOM 449 O VAL A 27 0.509 -19.967 -5.472 1.00 43.03 O ATOM 450 CB VAL A 27 2.357 -20.423 -7.753 1.00 75.21 C ATOM 451 CG1 VAL A 27 3.267 -21.199 -8.714 1.00 71.41 C ATOM 452 CG2 VAL A 27 0.921 -20.482 -8.285 1.00 25.12 C ATOM 0 H VAL A 27 1.254 -22.570 -6.652 1.00 22.45 H new ATOM 0 HA VAL A 27 3.577 -20.819 -6.062 1.00 63.11 H new ATOM 0 HB VAL A 27 2.636 -19.370 -7.705 1.00 75.21 H new ATOM 0 HG11 VAL A 27 3.139 -20.815 -9.726 1.00 71.41 H new ATOM 0 HG12 VAL A 27 4.306 -21.078 -8.409 1.00 71.41 H new ATOM 0 HG13 VAL A 27 3.003 -22.256 -8.691 1.00 71.41 H new ATOM 0 HG21 VAL A 27 0.893 -20.090 -9.302 1.00 25.12 H new ATOM 0 HG22 VAL A 27 0.575 -21.516 -8.285 1.00 25.12 H new ATOM 0 HG23 VAL A 27 0.272 -19.882 -7.647 1.00 25.12 H new ATOM 462 N SER A 28 2.335 -19.785 -4.168 1.00 5.41 N ATOM 463 CA SER A 28 1.633 -19.196 -3.036 1.00 20.20 C ATOM 464 C SER A 28 1.897 -17.693 -2.924 1.00 21.50 C ATOM 465 O SER A 28 3.013 -17.236 -3.155 1.00 73.13 O ATOM 466 CB SER A 28 2.032 -19.944 -1.759 1.00 52.21 C ATOM 467 OG SER A 28 3.415 -19.845 -1.508 1.00 65.33 O ATOM 0 H SER A 28 3.342 -19.872 -4.031 1.00 5.41 H new ATOM 0 HA SER A 28 0.559 -19.302 -3.188 1.00 20.20 H new ATOM 0 HB2 SER A 28 1.478 -19.539 -0.912 1.00 52.21 H new ATOM 0 HB3 SER A 28 1.753 -20.994 -1.850 1.00 52.21 H new ATOM 0 HG SER A 28 3.634 -20.332 -0.686 1.00 65.33 H new ATOM 473 N GLY A 29 0.870 -16.934 -2.525 1.00 23.14 N ATOM 474 CA GLY A 29 1.020 -15.567 -2.049 1.00 60.52 C ATOM 475 C GLY A 29 1.370 -14.556 -3.134 1.00 21.42 C ATOM 476 O GLY A 29 2.270 -13.743 -2.936 1.00 14.45 O ATOM 0 H GLY A 29 -0.096 -17.261 -2.526 1.00 23.14 H new ATOM 0 HA2 GLY A 29 0.091 -15.259 -1.569 1.00 60.52 H new ATOM 0 HA3 GLY A 29 1.797 -15.545 -1.285 1.00 60.52 H new ATOM 480 N PHE A 30 0.633 -14.570 -4.251 1.00 51.32 N ATOM 481 CA PHE A 30 0.727 -13.554 -5.289 1.00 51.13 C ATOM 482 C PHE A 30 -0.424 -12.559 -5.124 1.00 43.43 C ATOM 483 O PHE A 30 -1.583 -12.897 -5.344 1.00 11.42 O ATOM 484 CB PHE A 30 0.756 -14.213 -6.667 1.00 22.42 C ATOM 485 CG PHE A 30 -0.370 -15.180 -6.961 1.00 24.12 C ATOM 486 CD1 PHE A 30 -0.250 -16.536 -6.603 1.00 62.34 C ATOM 487 CD2 PHE A 30 -1.557 -14.715 -7.556 1.00 25.34 C ATOM 488 CE1 PHE A 30 -1.328 -17.409 -6.814 1.00 62.44 C ATOM 489 CE2 PHE A 30 -2.655 -15.576 -7.702 1.00 52.52 C ATOM 490 CZ PHE A 30 -2.543 -16.917 -7.313 1.00 22.35 C ATOM 0 H PHE A 30 -0.051 -15.298 -4.455 1.00 51.32 H new ATOM 0 HA PHE A 30 1.658 -12.995 -5.194 1.00 51.13 H new ATOM 0 HB2 PHE A 30 0.742 -13.429 -7.424 1.00 22.42 H new ATOM 0 HB3 PHE A 30 1.702 -14.744 -6.775 1.00 22.42 H new ATOM 0 HD1 PHE A 30 0.668 -16.903 -6.168 1.00 62.34 H new ATOM 0 HD2 PHE A 30 -1.623 -13.694 -7.901 1.00 25.34 H new ATOM 0 HE1 PHE A 30 -1.222 -18.461 -6.592 1.00 62.44 H new ATOM 0 HE2 PHE A 30 -3.583 -15.206 -8.113 1.00 52.52 H new ATOM 0 HZ PHE A 30 -3.396 -17.575 -7.398 1.00 22.35 H new ATOM 500 N HIS A 31 -0.101 -11.336 -4.693 1.00 12.22 N ATOM 501 CA HIS A 31 -1.094 -10.320 -4.359 1.00 43.14 C ATOM 502 C HIS A 31 -1.221 -9.342 -5.529 1.00 4.20 C ATOM 503 O HIS A 31 -0.193 -8.896 -6.038 1.00 22.14 O ATOM 504 CB HIS A 31 -0.710 -9.578 -3.071 1.00 20.32 C ATOM 505 CG HIS A 31 -0.939 -10.370 -1.812 1.00 34.21 C ATOM 506 ND1 HIS A 31 -1.699 -9.879 -0.762 1.00 1.45 N ATOM 507 CD2 HIS A 31 -0.562 -11.633 -1.426 1.00 35.10 C ATOM 508 CE1 HIS A 31 -1.807 -10.863 0.146 1.00 11.24 C ATOM 509 NE2 HIS A 31 -1.131 -11.963 -0.199 1.00 5.23 N ATOM 0 H HIS A 31 0.862 -11.025 -4.567 1.00 12.22 H new ATOM 0 HA HIS A 31 -2.055 -10.803 -4.184 1.00 43.14 H new ATOM 0 HB2 HIS A 31 0.342 -9.299 -3.125 1.00 20.32 H new ATOM 0 HB3 HIS A 31 -1.282 -8.652 -3.014 1.00 20.32 H new ATOM 0 HD2 HIS A 31 0.087 -12.281 -1.996 1.00 35.10 H new ATOM 0 HE1 HIS A 31 -2.379 -10.775 1.058 1.00 11.24 H new ATOM 0 HE2 HIS A 31 -1.051 -12.840 0.316 1.00 5.23 H new ATOM 517 N PRO A 32 -2.441 -8.972 -5.957 1.00 24.30 N ATOM 518 CA PRO A 32 -3.724 -9.360 -5.390 1.00 11.01 C ATOM 519 C PRO A 32 -4.130 -10.773 -5.831 1.00 13.12 C ATOM 520 O PRO A 32 -4.338 -11.621 -4.971 1.00 23.14 O ATOM 521 CB PRO A 32 -4.717 -8.288 -5.842 1.00 44.52 C ATOM 522 CG PRO A 32 -4.134 -7.778 -7.159 1.00 52.14 C ATOM 523 CD PRO A 32 -2.623 -7.976 -6.997 1.00 61.25 C ATOM 0 HA PRO A 32 -3.688 -9.412 -4.302 1.00 11.01 H new ATOM 0 HB2 PRO A 32 -5.716 -8.702 -5.981 1.00 44.52 H new ATOM 0 HB3 PRO A 32 -4.803 -7.488 -5.107 1.00 44.52 H new ATOM 0 HG2 PRO A 32 -4.521 -8.338 -8.010 1.00 52.14 H new ATOM 0 HG3 PRO A 32 -4.384 -6.730 -7.327 1.00 52.14 H new ATOM 0 HD2 PRO A 32 -2.174 -8.308 -7.933 1.00 61.25 H new ATOM 0 HD3 PRO A 32 -2.137 -7.039 -6.725 1.00 61.25 H new ATOM 531 N SER A 33 -4.237 -11.043 -7.141 1.00 63.32 N ATOM 532 CA SER A 33 -4.545 -12.377 -7.659 1.00 65.33 C ATOM 533 C SER A 33 -4.383 -12.449 -9.186 1.00 14.23 C ATOM 534 O SER A 33 -5.200 -13.075 -9.861 1.00 24.10 O ATOM 535 CB SER A 33 -5.961 -12.814 -7.234 1.00 71.41 C ATOM 536 OG SER A 33 -6.929 -11.910 -7.725 1.00 21.54 O ATOM 0 H SER A 33 -4.112 -10.339 -7.868 1.00 63.32 H new ATOM 0 HA SER A 33 -3.825 -13.071 -7.225 1.00 65.33 H new ATOM 0 HB2 SER A 33 -6.167 -13.816 -7.611 1.00 71.41 H new ATOM 0 HB3 SER A 33 -6.021 -12.864 -6.147 1.00 71.41 H new ATOM 0 HG SER A 33 -7.822 -12.204 -7.447 1.00 21.54 H new ATOM 542 N ASP A 34 -3.346 -11.809 -9.744 1.00 54.13 N ATOM 543 CA ASP A 34 -3.253 -11.552 -11.180 1.00 4.31 C ATOM 544 C ASP A 34 -2.317 -12.551 -11.877 1.00 11.41 C ATOM 545 O ASP A 34 -1.427 -12.134 -12.617 1.00 40.42 O ATOM 546 CB ASP A 34 -2.767 -10.109 -11.399 1.00 73.12 C ATOM 547 CG ASP A 34 -3.586 -9.044 -10.671 1.00 43.14 C ATOM 548 OD1 ASP A 34 -4.805 -9.259 -10.497 1.00 13.00 O ATOM 549 OD2 ASP A 34 -2.973 -8.015 -10.310 1.00 0.24 O ATOM 0 H ASP A 34 -2.551 -11.457 -9.210 1.00 54.13 H new ATOM 0 HA ASP A 34 -4.241 -11.680 -11.623 1.00 4.31 H new ATOM 0 HB2 ASP A 34 -1.729 -10.036 -11.074 1.00 73.12 H new ATOM 0 HB3 ASP A 34 -2.782 -9.893 -12.467 1.00 73.12 H new ATOM 554 N ILE A 35 -2.492 -13.861 -11.636 1.00 51.15 N ATOM 555 CA ILE A 35 -1.539 -14.884 -12.076 1.00 15.01 C ATOM 556 C ILE A 35 -1.929 -15.519 -13.414 1.00 32.35 C ATOM 557 O ILE A 35 -3.112 -15.725 -13.679 1.00 53.02 O ATOM 558 CB ILE A 35 -1.333 -15.957 -10.985 1.00 15.24 C ATOM 559 CG1 ILE A 35 -0.005 -16.690 -11.230 1.00 1.20 C ATOM 560 CG2 ILE A 35 -2.515 -16.939 -10.905 1.00 1.51 C ATOM 561 CD1 ILE A 35 0.388 -17.617 -10.082 1.00 24.24 C ATOM 0 H ILE A 35 -3.296 -14.236 -11.132 1.00 51.15 H new ATOM 0 HA ILE A 35 -0.588 -14.377 -12.240 1.00 15.01 H new ATOM 0 HB ILE A 35 -1.289 -15.457 -10.017 1.00 15.24 H new ATOM 0 HG12 ILE A 35 -0.082 -17.272 -12.149 1.00 1.20 H new ATOM 0 HG13 ILE A 35 0.786 -15.956 -11.383 1.00 1.20 H new ATOM 0 HG21 ILE A 35 -2.324 -17.675 -10.124 1.00 1.51 H new ATOM 0 HG22 ILE A 35 -3.428 -16.391 -10.672 1.00 1.51 H new ATOM 0 HG23 ILE A 35 -2.631 -17.448 -11.862 1.00 1.51 H new ATOM 0 HD11 ILE A 35 1.334 -18.105 -10.316 1.00 24.24 H new ATOM 0 HD12 ILE A 35 0.496 -17.036 -9.166 1.00 24.24 H new ATOM 0 HD13 ILE A 35 -0.385 -18.373 -9.944 1.00 24.24 H new ATOM 573 N GLU A 36 -0.913 -15.873 -14.216 1.00 33.44 N ATOM 574 CA GLU A 36 -1.037 -16.683 -15.419 1.00 54.11 C ATOM 575 C GLU A 36 0.022 -17.796 -15.388 1.00 63.14 C ATOM 576 O GLU A 36 1.186 -17.561 -15.712 1.00 4.24 O ATOM 577 CB GLU A 36 -0.847 -15.809 -16.665 1.00 5.04 C ATOM 578 CG GLU A 36 -1.759 -14.578 -16.753 1.00 64.54 C ATOM 579 CD GLU A 36 -3.248 -14.921 -16.726 1.00 2.15 C ATOM 580 OE1 GLU A 36 -3.614 -15.948 -17.338 1.00 73.14 O ATOM 581 OE2 GLU A 36 -3.997 -14.138 -16.101 1.00 42.04 O ATOM 0 H GLU A 36 0.049 -15.588 -14.030 1.00 33.44 H new ATOM 0 HA GLU A 36 -2.031 -17.128 -15.457 1.00 54.11 H new ATOM 0 HB2 GLU A 36 0.190 -15.475 -16.698 1.00 5.04 H new ATOM 0 HB3 GLU A 36 -1.012 -16.426 -17.549 1.00 5.04 H new ATOM 0 HG2 GLU A 36 -1.533 -13.908 -15.923 1.00 64.54 H new ATOM 0 HG3 GLU A 36 -1.536 -14.035 -17.671 1.00 64.54 H new ATOM 588 N VAL A 37 -0.385 -19.008 -14.989 1.00 33.50 N ATOM 589 CA VAL A 37 0.487 -20.181 -14.913 1.00 34.35 C ATOM 590 C VAL A 37 0.331 -21.030 -16.175 1.00 60.22 C ATOM 591 O VAL A 37 -0.577 -21.853 -16.274 1.00 42.04 O ATOM 592 CB VAL A 37 0.188 -21.006 -13.653 1.00 23.32 C ATOM 593 CG1 VAL A 37 1.211 -22.140 -13.503 1.00 13.12 C ATOM 594 CG2 VAL A 37 0.258 -20.108 -12.417 1.00 12.42 C ATOM 0 H VAL A 37 -1.346 -19.201 -14.706 1.00 33.50 H new ATOM 0 HA VAL A 37 1.521 -19.844 -14.847 1.00 34.35 H new ATOM 0 HB VAL A 37 -0.811 -21.431 -13.747 1.00 23.32 H new ATOM 0 HG11 VAL A 37 0.986 -22.716 -12.605 1.00 13.12 H new ATOM 0 HG12 VAL A 37 1.162 -22.792 -14.375 1.00 13.12 H new ATOM 0 HG13 VAL A 37 2.213 -21.718 -13.422 1.00 13.12 H new ATOM 0 HG21 VAL A 37 0.045 -20.698 -11.526 1.00 12.42 H new ATOM 0 HG22 VAL A 37 1.256 -19.677 -12.337 1.00 12.42 H new ATOM 0 HG23 VAL A 37 -0.477 -19.308 -12.506 1.00 12.42 H new ATOM 604 N ASP A 38 1.239 -20.825 -17.132 1.00 41.51 N ATOM 605 CA ASP A 38 1.190 -21.431 -18.458 1.00 12.11 C ATOM 606 C ASP A 38 2.153 -22.623 -18.542 1.00 20.12 C ATOM 607 O ASP A 38 2.973 -22.677 -19.456 1.00 32.43 O ATOM 608 CB ASP A 38 1.567 -20.363 -19.495 1.00 4.00 C ATOM 609 CG ASP A 38 0.715 -19.101 -19.387 1.00 63.33 C ATOM 610 OD1 ASP A 38 1.181 -18.155 -18.714 1.00 43.34 O ATOM 611 OD2 ASP A 38 -0.373 -19.092 -20.002 1.00 55.04 O ATOM 0 H ASP A 38 2.047 -20.217 -17.000 1.00 41.51 H new ATOM 0 HA ASP A 38 0.184 -21.802 -18.657 1.00 12.11 H new ATOM 0 HB2 ASP A 38 2.617 -20.098 -19.370 1.00 4.00 H new ATOM 0 HB3 ASP A 38 1.461 -20.782 -20.496 1.00 4.00 H new ATOM 616 N LEU A 39 2.091 -23.564 -17.589 1.00 23.11 N ATOM 617 CA LEU A 39 3.122 -24.592 -17.435 1.00 53.22 C ATOM 618 C LEU A 39 3.198 -25.570 -18.609 1.00 21.20 C ATOM 619 O LEU A 39 2.233 -25.752 -19.350 1.00 32.45 O ATOM 620 CB LEU A 39 2.967 -25.325 -16.100 1.00 14.42 C ATOM 621 CG LEU A 39 1.737 -26.241 -16.097 1.00 3.24 C ATOM 622 CD1 LEU A 39 2.160 -27.705 -16.248 1.00 1.02 C ATOM 623 CD2 LEU A 39 0.963 -26.079 -14.785 1.00 41.54 C ATOM 0 H LEU A 39 1.332 -23.631 -16.911 1.00 23.11 H new ATOM 0 HA LEU A 39 4.077 -24.066 -17.434 1.00 53.22 H new ATOM 0 HB2 LEU A 39 3.862 -25.916 -15.903 1.00 14.42 H new ATOM 0 HB3 LEU A 39 2.881 -24.597 -15.293 1.00 14.42 H new ATOM 0 HG LEU A 39 1.101 -25.960 -16.936 1.00 3.24 H new ATOM 0 HD11 LEU A 39 1.275 -28.342 -16.244 1.00 1.02 H new ATOM 0 HD12 LEU A 39 2.695 -27.834 -17.189 1.00 1.02 H new ATOM 0 HD13 LEU A 39 2.811 -27.983 -15.419 1.00 1.02 H new ATOM 0 HD21 LEU A 39 0.092 -26.734 -14.793 1.00 41.54 H new ATOM 0 HD22 LEU A 39 1.608 -26.344 -13.947 1.00 41.54 H new ATOM 0 HD23 LEU A 39 0.638 -25.044 -14.680 1.00 41.54 H new ATOM 635 N LEU A 40 4.387 -26.163 -18.764 1.00 23.33 N ATOM 636 CA LEU A 40 4.848 -26.809 -19.984 1.00 0.33 C ATOM 637 C LEU A 40 5.408 -28.206 -19.704 1.00 72.41 C ATOM 638 O LEU A 40 5.847 -28.498 -18.592 1.00 5.31 O ATOM 639 CB LEU A 40 5.952 -25.945 -20.620 1.00 45.34 C ATOM 640 CG LEU A 40 5.620 -24.446 -20.749 1.00 65.24 C ATOM 641 CD1 LEU A 40 6.841 -23.700 -21.298 1.00 51.11 C ATOM 642 CD2 LEU A 40 4.408 -24.199 -21.653 1.00 53.21 C ATOM 0 H LEU A 40 5.075 -26.204 -18.012 1.00 23.33 H new ATOM 0 HA LEU A 40 3.998 -26.912 -20.659 1.00 0.33 H new ATOM 0 HB2 LEU A 40 6.860 -26.050 -20.026 1.00 45.34 H new ATOM 0 HB3 LEU A 40 6.173 -26.339 -21.612 1.00 45.34 H new ATOM 0 HG LEU A 40 5.366 -24.073 -19.757 1.00 65.24 H new ATOM 0 HD11 LEU A 40 6.608 -22.639 -21.390 1.00 51.11 H new ATOM 0 HD12 LEU A 40 7.683 -23.829 -20.617 1.00 51.11 H new ATOM 0 HD13 LEU A 40 7.102 -24.100 -22.278 1.00 51.11 H new ATOM 0 HD21 LEU A 40 4.212 -23.129 -21.714 1.00 53.21 H new ATOM 0 HD22 LEU A 40 4.613 -24.588 -22.650 1.00 53.21 H new ATOM 0 HD23 LEU A 40 3.536 -24.705 -21.239 1.00 53.21 H new ATOM 654 N LYS A 41 5.435 -29.039 -20.754 1.00 61.24 N ATOM 655 CA LYS A 41 6.214 -30.265 -20.843 1.00 12.00 C ATOM 656 C LYS A 41 7.086 -30.161 -22.095 1.00 31.22 C ATOM 657 O LYS A 41 6.592 -30.297 -23.213 1.00 22.12 O ATOM 658 CB LYS A 41 5.325 -31.524 -20.816 1.00 63.54 C ATOM 659 CG LYS A 41 4.231 -31.636 -21.889 1.00 42.21 C ATOM 660 CD LYS A 41 3.268 -32.805 -21.618 1.00 0.23 C ATOM 661 CE LYS A 41 3.925 -34.189 -21.523 1.00 2.31 C ATOM 662 NZ LYS A 41 4.745 -34.512 -22.704 1.00 22.53 N ATOM 0 H LYS A 41 4.888 -28.862 -21.597 1.00 61.24 H new ATOM 0 HA LYS A 41 6.855 -30.376 -19.968 1.00 12.00 H new ATOM 0 HB2 LYS A 41 5.973 -32.396 -20.902 1.00 63.54 H new ATOM 0 HB3 LYS A 41 4.846 -31.578 -19.838 1.00 63.54 H new ATOM 0 HG2 LYS A 41 3.667 -30.704 -21.928 1.00 42.21 H new ATOM 0 HG3 LYS A 41 4.695 -31.769 -22.866 1.00 42.21 H new ATOM 0 HD2 LYS A 41 2.738 -32.608 -20.686 1.00 0.23 H new ATOM 0 HD3 LYS A 41 2.521 -32.830 -22.411 1.00 0.23 H new ATOM 0 HE2 LYS A 41 4.549 -34.230 -20.630 1.00 2.31 H new ATOM 0 HE3 LYS A 41 3.151 -34.947 -21.405 1.00 2.31 H new ATOM 0 HZ1 LYS A 41 5.123 -35.476 -22.611 1.00 22.53 H new ATOM 0 HZ2 LYS A 41 4.159 -34.451 -23.561 1.00 22.53 H new ATOM 0 HZ3 LYS A 41 5.533 -33.837 -22.775 1.00 22.53 H new ATOM 676 N ASN A 42 8.378 -29.875 -21.895 1.00 64.51 N ATOM 677 CA ASN A 42 9.374 -29.717 -22.947 1.00 3.31 C ATOM 678 C ASN A 42 8.909 -28.721 -24.013 1.00 3.11 C ATOM 679 O ASN A 42 8.896 -29.030 -25.204 1.00 14.20 O ATOM 680 CB ASN A 42 9.743 -31.100 -23.508 1.00 53.01 C ATOM 681 CG ASN A 42 11.007 -31.086 -24.367 1.00 62.15 C ATOM 682 OD1 ASN A 42 10.954 -31.359 -25.564 1.00 15.13 O ATOM 683 ND2 ASN A 42 12.151 -30.779 -23.752 1.00 34.32 N ATOM 0 H ASN A 42 8.767 -29.744 -20.961 1.00 64.51 H new ATOM 0 HA ASN A 42 10.284 -29.282 -22.534 1.00 3.31 H new ATOM 0 HB2 ASN A 42 9.882 -31.795 -22.680 1.00 53.01 H new ATOM 0 HB3 ASN A 42 8.911 -31.477 -24.104 1.00 53.01 H new ATOM 0 HD21 ASN A 42 13.025 -30.765 -24.278 1.00 34.32 H new ATOM 0 HD22 ASN A 42 12.151 -30.558 -22.756 1.00 34.32 H new ATOM 690 N GLY A 43 8.515 -27.521 -23.566 1.00 61.14 N ATOM 691 CA GLY A 43 8.066 -26.440 -24.430 1.00 65.15 C ATOM 692 C GLY A 43 6.552 -26.452 -24.670 1.00 34.21 C ATOM 693 O GLY A 43 5.969 -25.387 -24.865 1.00 73.11 O ATOM 0 H GLY A 43 8.502 -27.278 -22.575 1.00 61.14 H new ATOM 0 HA2 GLY A 43 8.350 -25.486 -23.986 1.00 65.15 H new ATOM 0 HA3 GLY A 43 8.580 -26.511 -25.388 1.00 65.15 H new ATOM 697 N GLU A 44 5.911 -27.632 -24.674 1.00 0.23 N ATOM 698 CA GLU A 44 4.519 -27.779 -25.085 1.00 44.43 C ATOM 699 C GLU A 44 3.591 -27.563 -23.891 1.00 44.32 C ATOM 700 O GLU A 44 3.702 -28.278 -22.899 1.00 45.23 O ATOM 701 CB GLU A 44 4.292 -29.177 -25.681 1.00 1.43 C ATOM 702 CG GLU A 44 5.266 -29.526 -26.816 1.00 1.11 C ATOM 703 CD GLU A 44 5.159 -28.552 -27.988 1.00 1.03 C ATOM 704 OE1 GLU A 44 4.289 -28.792 -28.853 1.00 35.13 O ATOM 705 OE2 GLU A 44 5.948 -27.582 -27.998 1.00 12.31 O ATOM 0 H GLU A 44 6.350 -28.508 -24.391 1.00 0.23 H new ATOM 0 HA GLU A 44 4.296 -27.029 -25.844 1.00 44.43 H new ATOM 0 HB2 GLU A 44 4.388 -29.920 -24.890 1.00 1.43 H new ATOM 0 HB3 GLU A 44 3.271 -29.241 -26.057 1.00 1.43 H new ATOM 0 HG2 GLU A 44 6.286 -29.519 -26.432 1.00 1.11 H new ATOM 0 HG3 GLU A 44 5.064 -30.538 -27.167 1.00 1.11 H new ATOM 712 N ARG A 45 2.657 -26.610 -23.992 1.00 11.20 N ATOM 713 CA ARG A 45 1.658 -26.370 -22.959 1.00 12.34 C ATOM 714 C ARG A 45 0.683 -27.547 -22.892 1.00 21.40 C ATOM 715 O ARG A 45 0.280 -28.075 -23.928 1.00 33.41 O ATOM 716 CB ARG A 45 0.937 -25.044 -23.237 1.00 41.12 C ATOM 717 CG ARG A 45 0.093 -24.601 -22.032 1.00 63.54 C ATOM 718 CD ARG A 45 -0.749 -23.359 -22.337 1.00 65.44 C ATOM 719 NE ARG A 45 0.087 -22.203 -22.685 1.00 74.32 N ATOM 720 CZ ARG A 45 -0.336 -20.928 -22.719 1.00 4.34 C ATOM 721 NH1 ARG A 45 -1.617 -20.616 -22.468 1.00 22.33 N ATOM 722 NH2 ARG A 45 0.538 -19.953 -23.003 1.00 42.35 N ATOM 0 H ARG A 45 2.577 -25.986 -24.795 1.00 11.20 H new ATOM 0 HA ARG A 45 2.143 -26.289 -21.986 1.00 12.34 H new ATOM 0 HB2 ARG A 45 1.670 -24.272 -23.473 1.00 41.12 H new ATOM 0 HB3 ARG A 45 0.296 -25.153 -24.112 1.00 41.12 H new ATOM 0 HG2 ARG A 45 -0.564 -25.417 -21.731 1.00 63.54 H new ATOM 0 HG3 ARG A 45 0.750 -24.393 -21.188 1.00 63.54 H new ATOM 0 HD2 ARG A 45 -1.430 -23.575 -23.160 1.00 65.44 H new ATOM 0 HD3 ARG A 45 -1.363 -23.115 -21.470 1.00 65.44 H new ATOM 0 HE ARG A 45 1.064 -22.382 -22.919 1.00 74.32 H new ATOM 0 HH11 ARG A 45 -2.287 -21.352 -22.247 1.00 22.33 H new ATOM 0 HH12 ARG A 45 -1.920 -19.643 -22.498 1.00 22.33 H new ATOM 0 HH21 ARG A 45 1.514 -20.182 -23.191 1.00 42.35 H new ATOM 0 HH22 ARG A 45 0.227 -18.982 -23.031 1.00 42.35 H new ATOM 736 N ILE A 46 0.309 -27.953 -21.673 1.00 20.31 N ATOM 737 CA ILE A 46 -0.696 -28.978 -21.446 1.00 41.21 C ATOM 738 C ILE A 46 -2.050 -28.273 -21.417 1.00 0.52 C ATOM 739 O ILE A 46 -2.273 -27.423 -20.556 1.00 42.13 O ATOM 740 CB ILE A 46 -0.425 -29.736 -20.129 1.00 64.33 C ATOM 741 CG1 ILE A 46 0.964 -30.401 -20.094 1.00 11.31 C ATOM 742 CG2 ILE A 46 -1.472 -30.850 -19.959 1.00 43.22 C ATOM 743 CD1 ILE A 46 2.112 -29.444 -19.755 1.00 0.11 C ATOM 0 H ILE A 46 0.704 -27.571 -20.814 1.00 20.31 H new ATOM 0 HA ILE A 46 -0.674 -29.726 -22.238 1.00 41.21 H new ATOM 0 HB ILE A 46 -0.476 -28.997 -19.329 1.00 64.33 H new ATOM 0 HG12 ILE A 46 0.950 -31.207 -19.361 1.00 11.31 H new ATOM 0 HG13 ILE A 46 1.161 -30.857 -21.065 1.00 11.31 H new ATOM 0 HG21 ILE A 46 -1.284 -31.388 -19.030 1.00 43.22 H new ATOM 0 HG22 ILE A 46 -2.469 -30.411 -19.928 1.00 43.22 H new ATOM 0 HG23 ILE A 46 -1.406 -31.542 -20.798 1.00 43.22 H new ATOM 0 HD11 ILE A 46 3.054 -29.993 -19.751 1.00 0.11 H new ATOM 0 HD12 ILE A 46 2.157 -28.651 -20.501 1.00 0.11 H new ATOM 0 HD13 ILE A 46 1.943 -29.007 -18.771 1.00 0.11 H new ATOM 755 N GLU A 47 -2.961 -28.633 -22.332 1.00 55.04 N ATOM 756 CA GLU A 47 -4.317 -28.089 -22.370 1.00 65.11 C ATOM 757 C GLU A 47 -5.209 -28.857 -21.383 1.00 71.25 C ATOM 758 O GLU A 47 -6.308 -29.289 -21.729 1.00 40.44 O ATOM 759 CB GLU A 47 -4.856 -28.104 -23.814 1.00 14.42 C ATOM 760 CG GLU A 47 -4.271 -26.975 -24.676 1.00 20.53 C ATOM 761 CD GLU A 47 -2.758 -27.065 -24.837 1.00 74.52 C ATOM 762 OE1 GLU A 47 -2.073 -26.227 -24.212 1.00 54.13 O ATOM 763 OE2 GLU A 47 -2.316 -27.973 -25.574 1.00 12.32 O ATOM 0 H GLU A 47 -2.773 -29.313 -23.068 1.00 55.04 H new ATOM 0 HA GLU A 47 -4.314 -27.046 -22.053 1.00 65.11 H new ATOM 0 HB2 GLU A 47 -4.624 -29.065 -24.274 1.00 14.42 H new ATOM 0 HB3 GLU A 47 -5.942 -28.014 -23.793 1.00 14.42 H new ATOM 0 HG2 GLU A 47 -4.737 -27.000 -25.661 1.00 20.53 H new ATOM 0 HG3 GLU A 47 -4.526 -26.015 -24.227 1.00 20.53 H new ATOM 770 N LYS A 48 -4.727 -28.998 -20.141 1.00 61.42 N ATOM 771 CA LYS A 48 -5.405 -29.603 -19.008 1.00 23.13 C ATOM 772 C LYS A 48 -4.552 -29.350 -17.759 1.00 34.42 C ATOM 773 O LYS A 48 -4.044 -30.284 -17.139 1.00 11.14 O ATOM 774 CB LYS A 48 -5.667 -31.105 -19.237 1.00 24.24 C ATOM 775 CG LYS A 48 -6.591 -31.665 -18.144 1.00 0.43 C ATOM 776 CD LYS A 48 -6.725 -33.188 -18.250 1.00 54.23 C ATOM 777 CE LYS A 48 -7.556 -33.759 -17.093 1.00 20.21 C ATOM 778 NZ LYS A 48 -6.860 -33.643 -15.798 1.00 25.12 N ATOM 0 H LYS A 48 -3.793 -28.669 -19.895 1.00 61.42 H new ATOM 0 HA LYS A 48 -6.388 -29.151 -18.876 1.00 23.13 H new ATOM 0 HB2 LYS A 48 -6.121 -31.255 -20.217 1.00 24.24 H new ATOM 0 HB3 LYS A 48 -4.722 -31.649 -19.236 1.00 24.24 H new ATOM 0 HG2 LYS A 48 -6.198 -31.400 -17.162 1.00 0.43 H new ATOM 0 HG3 LYS A 48 -7.576 -31.205 -18.227 1.00 0.43 H new ATOM 0 HD2 LYS A 48 -7.193 -33.448 -19.199 1.00 54.23 H new ATOM 0 HD3 LYS A 48 -5.734 -33.643 -18.248 1.00 54.23 H new ATOM 0 HE2 LYS A 48 -8.510 -33.234 -17.039 1.00 20.21 H new ATOM 0 HE3 LYS A 48 -7.780 -34.807 -17.291 1.00 20.21 H new ATOM 0 HZ1 LYS A 48 -6.678 -34.593 -15.416 1.00 25.12 H new ATOM 0 HZ2 LYS A 48 -5.957 -33.145 -15.933 1.00 25.12 H new ATOM 0 HZ3 LYS A 48 -7.454 -33.109 -15.131 1.00 25.12 H new ATOM 792 N VAL A 49 -4.402 -28.076 -17.381 1.00 51.51 N ATOM 793 CA VAL A 49 -3.852 -27.700 -16.087 1.00 3.54 C ATOM 794 C VAL A 49 -4.998 -27.748 -15.077 1.00 64.21 C ATOM 795 O VAL A 49 -6.035 -27.120 -15.287 1.00 23.33 O ATOM 796 CB VAL A 49 -3.212 -26.305 -16.161 1.00 55.11 C ATOM 797 CG1 VAL A 49 -2.769 -25.834 -14.771 1.00 74.12 C ATOM 798 CG2 VAL A 49 -2.002 -26.311 -17.105 1.00 1.13 C ATOM 0 H VAL A 49 -4.660 -27.282 -17.967 1.00 51.51 H new ATOM 0 HA VAL A 49 -3.063 -28.386 -15.780 1.00 3.54 H new ATOM 0 HB VAL A 49 -3.964 -25.617 -16.548 1.00 55.11 H new ATOM 0 HG11 VAL A 49 -2.319 -24.844 -14.849 1.00 74.12 H new ATOM 0 HG12 VAL A 49 -3.634 -25.788 -14.109 1.00 74.12 H new ATOM 0 HG13 VAL A 49 -2.039 -26.534 -14.365 1.00 74.12 H new ATOM 0 HG21 VAL A 49 -1.565 -25.313 -17.142 1.00 1.13 H new ATOM 0 HG22 VAL A 49 -1.259 -27.020 -16.739 1.00 1.13 H new ATOM 0 HG23 VAL A 49 -2.322 -26.604 -18.105 1.00 1.13 H new ATOM 808 N GLU A 50 -4.802 -28.497 -13.988 1.00 11.43 N ATOM 809 CA GLU A 50 -5.777 -28.637 -12.913 1.00 45.43 C ATOM 810 C GLU A 50 -5.448 -27.630 -11.812 1.00 2.12 C ATOM 811 O GLU A 50 -4.428 -26.948 -11.879 1.00 3.22 O ATOM 812 CB GLU A 50 -5.789 -30.078 -12.390 1.00 33.33 C ATOM 813 CG GLU A 50 -6.136 -31.081 -13.499 1.00 52.34 C ATOM 814 CD GLU A 50 -6.099 -32.517 -12.988 1.00 24.51 C ATOM 815 OE1 GLU A 50 -5.037 -33.154 -13.164 1.00 11.32 O ATOM 816 OE2 GLU A 50 -7.139 -32.962 -12.456 1.00 32.34 O ATOM 0 H GLU A 50 -3.947 -29.030 -13.830 1.00 11.43 H new ATOM 0 HA GLU A 50 -6.780 -28.425 -13.284 1.00 45.43 H new ATOM 0 HB2 GLU A 50 -4.812 -30.321 -11.971 1.00 33.33 H new ATOM 0 HB3 GLU A 50 -6.514 -30.165 -11.580 1.00 33.33 H new ATOM 0 HG2 GLU A 50 -7.128 -30.860 -13.893 1.00 52.34 H new ATOM 0 HG3 GLU A 50 -5.433 -30.970 -14.324 1.00 52.34 H new ATOM 823 N HIS A 51 -6.334 -27.504 -10.820 1.00 0.25 N ATOM 824 CA HIS A 51 -6.247 -26.480 -9.789 1.00 0.10 C ATOM 825 C HIS A 51 -7.052 -26.916 -8.566 1.00 0.04 C ATOM 826 O HIS A 51 -8.016 -27.669 -8.695 1.00 54.44 O ATOM 827 CB HIS A 51 -6.744 -25.139 -10.346 1.00 14.24 C ATOM 828 CG HIS A 51 -8.053 -25.236 -11.087 1.00 41.51 C ATOM 829 ND1 HIS A 51 -8.119 -25.508 -12.446 1.00 74.51 N ATOM 830 CD2 HIS A 51 -9.358 -25.134 -10.673 1.00 23.11 C ATOM 831 CE1 HIS A 51 -9.419 -25.552 -12.780 1.00 34.50 C ATOM 832 NE2 HIS A 51 -10.229 -25.331 -11.741 1.00 13.13 N ATOM 0 H HIS A 51 -7.140 -28.120 -10.714 1.00 0.25 H new ATOM 0 HA HIS A 51 -5.210 -26.349 -9.481 1.00 0.10 H new ATOM 0 HB2 HIS A 51 -6.854 -24.433 -9.523 1.00 14.24 H new ATOM 0 HB3 HIS A 51 -5.987 -24.732 -11.016 1.00 14.24 H new ATOM 0 HD2 HIS A 51 -9.666 -24.929 -9.658 1.00 23.11 H new ATOM 0 HE1 HIS A 51 -9.772 -25.746 -13.782 1.00 34.50 H new ATOM 0 HE2 HIS A 51 -11.249 -25.311 -11.732 1.00 13.13 H new ATOM 840 N SER A 52 -6.645 -26.434 -7.383 1.00 13.00 N ATOM 841 CA SER A 52 -7.308 -26.703 -6.112 1.00 53.04 C ATOM 842 C SER A 52 -7.812 -25.392 -5.502 1.00 23.32 C ATOM 843 O SER A 52 -7.622 -25.155 -4.310 1.00 32.53 O ATOM 844 CB SER A 52 -6.344 -27.440 -5.173 1.00 62.12 C ATOM 845 OG SER A 52 -5.957 -28.674 -5.740 1.00 71.41 O ATOM 0 H SER A 52 -5.826 -25.833 -7.288 1.00 13.00 H new ATOM 0 HA SER A 52 -8.173 -27.346 -6.272 1.00 53.04 H new ATOM 0 HB2 SER A 52 -5.464 -26.825 -4.988 1.00 62.12 H new ATOM 0 HB3 SER A 52 -6.823 -27.609 -4.209 1.00 62.12 H new ATOM 0 HG SER A 52 -5.341 -29.134 -5.133 1.00 71.41 H new ATOM 851 N ASP A 53 -8.466 -24.561 -6.329 1.00 21.45 N ATOM 852 CA ASP A 53 -9.099 -23.296 -5.964 1.00 21.33 C ATOM 853 C ASP A 53 -8.092 -22.222 -5.534 1.00 23.10 C ATOM 854 O ASP A 53 -7.007 -22.525 -5.040 1.00 61.41 O ATOM 855 CB ASP A 53 -10.193 -23.517 -4.905 1.00 54.33 C ATOM 856 CG ASP A 53 -10.956 -22.233 -4.586 1.00 35.52 C ATOM 857 OD1 ASP A 53 -10.817 -21.755 -3.439 1.00 12.12 O ATOM 858 OD2 ASP A 53 -11.647 -21.739 -5.503 1.00 71.24 O ATOM 0 H ASP A 53 -8.570 -24.770 -7.322 1.00 21.45 H new ATOM 0 HA ASP A 53 -9.574 -22.908 -6.865 1.00 21.33 H new ATOM 0 HB2 ASP A 53 -10.892 -24.274 -5.260 1.00 54.33 H new ATOM 0 HB3 ASP A 53 -9.740 -23.904 -3.993 1.00 54.33 H new ATOM 863 N LEU A 54 -8.481 -20.953 -5.714 1.00 35.43 N ATOM 864 CA LEU A 54 -7.774 -19.785 -5.214 1.00 31.32 C ATOM 865 C LEU A 54 -7.968 -19.721 -3.693 1.00 5.45 C ATOM 866 O LEU A 54 -8.877 -19.054 -3.202 1.00 5.43 O ATOM 867 CB LEU A 54 -8.326 -18.543 -5.932 1.00 35.30 C ATOM 868 CG LEU A 54 -7.544 -17.264 -5.594 1.00 11.12 C ATOM 869 CD1 LEU A 54 -6.247 -17.167 -6.404 1.00 14.41 C ATOM 870 CD2 LEU A 54 -8.392 -16.026 -5.901 1.00 23.20 C ATOM 0 H LEU A 54 -9.327 -20.712 -6.231 1.00 35.43 H new ATOM 0 HA LEU A 54 -6.703 -19.836 -5.412 1.00 31.32 H new ATOM 0 HB2 LEU A 54 -8.296 -18.708 -7.009 1.00 35.30 H new ATOM 0 HB3 LEU A 54 -9.373 -18.406 -5.660 1.00 35.30 H new ATOM 0 HG LEU A 54 -7.302 -17.308 -4.532 1.00 11.12 H new ATOM 0 HD11 LEU A 54 -5.720 -16.250 -6.139 1.00 14.41 H new ATOM 0 HD12 LEU A 54 -5.614 -18.026 -6.182 1.00 14.41 H new ATOM 0 HD13 LEU A 54 -6.483 -17.155 -7.468 1.00 14.41 H new ATOM 0 HD21 LEU A 54 -7.826 -15.127 -5.657 1.00 23.20 H new ATOM 0 HD22 LEU A 54 -8.650 -16.015 -6.960 1.00 23.20 H new ATOM 0 HD23 LEU A 54 -9.304 -16.053 -5.305 1.00 23.20 H new ATOM 882 N SER A 55 -7.125 -20.450 -2.956 1.00 60.23 N ATOM 883 CA SER A 55 -7.304 -20.706 -1.534 1.00 25.53 C ATOM 884 C SER A 55 -6.691 -19.576 -0.710 1.00 2.30 C ATOM 885 O SER A 55 -5.512 -19.271 -0.868 1.00 54.43 O ATOM 886 CB SER A 55 -6.659 -22.045 -1.165 1.00 3.32 C ATOM 887 OG SER A 55 -7.188 -23.090 -1.953 1.00 13.21 O ATOM 0 H SER A 55 -6.287 -20.884 -3.342 1.00 60.23 H new ATOM 0 HA SER A 55 -8.370 -20.753 -1.313 1.00 25.53 H new ATOM 0 HB2 SER A 55 -5.580 -21.986 -1.308 1.00 3.32 H new ATOM 0 HB3 SER A 55 -6.829 -22.257 -0.110 1.00 3.32 H new ATOM 0 HG SER A 55 -6.965 -22.935 -2.895 1.00 13.21 H new ATOM 893 N PHE A 56 -7.498 -18.968 0.166 1.00 42.33 N ATOM 894 CA PHE A 56 -7.118 -17.817 0.973 1.00 4.34 C ATOM 895 C PHE A 56 -6.520 -18.294 2.296 1.00 41.35 C ATOM 896 O PHE A 56 -7.210 -18.929 3.092 1.00 43.21 O ATOM 897 CB PHE A 56 -8.355 -16.941 1.217 1.00 11.03 C ATOM 898 CG PHE A 56 -9.155 -16.656 -0.039 1.00 63.31 C ATOM 899 CD1 PHE A 56 -8.671 -15.733 -0.984 1.00 64.53 C ATOM 900 CD2 PHE A 56 -10.308 -17.412 -0.327 1.00 54.15 C ATOM 901 CE1 PHE A 56 -9.353 -15.547 -2.200 1.00 11.12 C ATOM 902 CE2 PHE A 56 -10.986 -17.229 -1.543 1.00 32.14 C ATOM 903 CZ PHE A 56 -10.511 -16.294 -2.478 1.00 22.24 C ATOM 0 H PHE A 56 -8.456 -19.275 0.333 1.00 42.33 H new ATOM 0 HA PHE A 56 -6.367 -17.225 0.450 1.00 4.34 H new ATOM 0 HB2 PHE A 56 -9.000 -17.433 1.945 1.00 11.03 H new ATOM 0 HB3 PHE A 56 -8.039 -15.996 1.659 1.00 11.03 H new ATOM 0 HD1 PHE A 56 -7.775 -15.167 -0.776 1.00 64.53 H new ATOM 0 HD2 PHE A 56 -10.671 -18.134 0.389 1.00 54.15 H new ATOM 0 HE1 PHE A 56 -8.987 -14.830 -2.920 1.00 11.12 H new ATOM 0 HE2 PHE A 56 -11.872 -17.807 -1.759 1.00 32.14 H new ATOM 0 HZ PHE A 56 -11.036 -16.149 -3.411 1.00 22.24 H new ATOM 913 N SER A 57 -5.242 -17.981 2.535 1.00 0.02 N ATOM 914 CA SER A 57 -4.559 -18.303 3.782 1.00 74.13 C ATOM 915 C SER A 57 -4.949 -17.304 4.876 1.00 33.25 C ATOM 916 O SER A 57 -5.601 -16.295 4.608 1.00 63.24 O ATOM 917 CB SER A 57 -3.045 -18.294 3.528 1.00 11.44 C ATOM 918 OG SER A 57 -2.314 -18.758 4.642 1.00 24.15 O ATOM 0 H SER A 57 -4.653 -17.493 1.860 1.00 0.02 H new ATOM 0 HA SER A 57 -4.855 -19.293 4.128 1.00 74.13 H new ATOM 0 HB2 SER A 57 -2.820 -18.918 2.663 1.00 11.44 H new ATOM 0 HB3 SER A 57 -2.726 -17.281 3.283 1.00 11.44 H new ATOM 0 HG SER A 57 -1.356 -18.737 4.436 1.00 24.15 H new ATOM 965 N SER A 61 -2.546 -15.265 1.593 1.00 15.02 N ATOM 966 CA SER A 61 -1.818 -15.869 0.490 1.00 31.12 C ATOM 967 C SER A 61 -2.735 -16.756 -0.350 1.00 12.43 C ATOM 968 O SER A 61 -3.589 -17.455 0.187 1.00 40.13 O ATOM 969 CB SER A 61 -0.610 -16.656 1.007 1.00 14.12 C ATOM 970 OG SER A 61 0.307 -15.779 1.626 1.00 62.44 O ATOM 0 HA SER A 61 -1.450 -15.070 -0.154 1.00 31.12 H new ATOM 0 HB2 SER A 61 -0.937 -17.415 1.718 1.00 14.12 H new ATOM 0 HB3 SER A 61 -0.126 -17.179 0.182 1.00 14.12 H new ATOM 0 HG SER A 61 -0.182 -15.061 2.080 1.00 62.44 H new ATOM 976 N PHE A 62 -2.560 -16.682 -1.672 1.00 52.02 N ATOM 977 CA PHE A 62 -3.441 -17.261 -2.670 1.00 64.21 C ATOM 978 C PHE A 62 -2.809 -18.554 -3.181 1.00 43.11 C ATOM 979 O PHE A 62 -2.154 -18.548 -4.218 1.00 24.33 O ATOM 980 CB PHE A 62 -3.629 -16.222 -3.783 1.00 60.21 C ATOM 981 CG PHE A 62 -4.190 -14.905 -3.277 1.00 4.32 C ATOM 982 CD1 PHE A 62 -3.315 -13.871 -2.897 1.00 31.44 C ATOM 983 CD2 PHE A 62 -5.573 -14.762 -3.054 1.00 41.33 C ATOM 984 CE1 PHE A 62 -3.826 -12.689 -2.336 1.00 41.05 C ATOM 985 CE2 PHE A 62 -6.081 -13.571 -2.507 1.00 14.22 C ATOM 986 CZ PHE A 62 -5.207 -12.534 -2.146 1.00 24.23 C ATOM 0 H PHE A 62 -1.765 -16.195 -2.086 1.00 52.02 H new ATOM 0 HA PHE A 62 -4.421 -17.511 -2.263 1.00 64.21 H new ATOM 0 HB2 PHE A 62 -2.670 -16.040 -4.268 1.00 60.21 H new ATOM 0 HB3 PHE A 62 -4.298 -16.628 -4.542 1.00 60.21 H new ATOM 0 HD1 PHE A 62 -2.250 -13.986 -3.037 1.00 31.44 H new ATOM 0 HD2 PHE A 62 -6.245 -15.570 -3.304 1.00 41.33 H new ATOM 0 HE1 PHE A 62 -3.152 -11.895 -2.049 1.00 41.05 H new ATOM 0 HE2 PHE A 62 -7.145 -13.454 -2.364 1.00 14.22 H new ATOM 0 HZ PHE A 62 -5.596 -11.620 -1.723 1.00 24.23 H new ATOM 996 N TYR A 63 -2.955 -19.651 -2.428 1.00 15.10 N ATOM 997 CA TYR A 63 -2.173 -20.860 -2.652 1.00 63.13 C ATOM 998 C TYR A 63 -2.913 -21.876 -3.519 1.00 63.35 C ATOM 999 O TYR A 63 -3.766 -22.619 -3.041 1.00 74.43 O ATOM 1000 CB TYR A 63 -1.665 -21.438 -1.325 1.00 32.52 C ATOM 1001 CG TYR A 63 -2.712 -21.910 -0.332 1.00 61.13 C ATOM 1002 CD1 TYR A 63 -3.022 -23.279 -0.222 1.00 73.21 C ATOM 1003 CD2 TYR A 63 -3.329 -20.989 0.533 1.00 41.01 C ATOM 1004 CE1 TYR A 63 -3.968 -23.717 0.720 1.00 72.24 C ATOM 1005 CE2 TYR A 63 -4.288 -21.424 1.462 1.00 3.03 C ATOM 1006 CZ TYR A 63 -4.605 -22.789 1.560 1.00 11.52 C ATOM 1007 OH TYR A 63 -5.534 -23.207 2.467 1.00 2.44 O ATOM 0 H TYR A 63 -3.615 -19.720 -1.653 1.00 15.10 H new ATOM 0 HA TYR A 63 -1.289 -20.588 -3.229 1.00 63.13 H new ATOM 0 HB2 TYR A 63 -1.009 -22.279 -1.551 1.00 32.52 H new ATOM 0 HB3 TYR A 63 -1.053 -20.679 -0.837 1.00 32.52 H new ATOM 0 HD1 TYR A 63 -2.531 -23.995 -0.864 1.00 73.21 H new ATOM 0 HD2 TYR A 63 -3.064 -19.943 0.483 1.00 41.01 H new ATOM 0 HE1 TYR A 63 -4.205 -24.768 0.798 1.00 72.24 H new ATOM 0 HE2 TYR A 63 -4.782 -20.708 2.102 1.00 3.03 H new ATOM 0 HH TYR A 63 -5.874 -22.435 2.966 1.00 2.44 H new ATOM 1017 N LEU A 64 -2.547 -21.916 -4.805 1.00 31.32 N ATOM 1018 CA LEU A 64 -3.050 -22.891 -5.759 1.00 20.42 C ATOM 1019 C LEU A 64 -2.077 -24.056 -5.870 1.00 71.31 C ATOM 1020 O LEU A 64 -0.894 -23.922 -5.562 1.00 52.04 O ATOM 1021 CB LEU A 64 -3.229 -22.218 -7.123 1.00 51.02 C ATOM 1022 CG LEU A 64 -4.587 -21.499 -7.194 1.00 74.55 C ATOM 1023 CD1 LEU A 64 -4.389 -20.036 -7.564 1.00 73.13 C ATOM 1024 CD2 LEU A 64 -5.528 -22.199 -8.178 1.00 51.11 C ATOM 0 H LEU A 64 -1.882 -21.258 -5.211 1.00 31.32 H new ATOM 0 HA LEU A 64 -4.012 -23.273 -5.418 1.00 20.42 H new ATOM 0 HB2 LEU A 64 -2.423 -21.504 -7.291 1.00 51.02 H new ATOM 0 HB3 LEU A 64 -3.164 -22.964 -7.915 1.00 51.02 H new ATOM 0 HG LEU A 64 -5.054 -21.542 -6.210 1.00 74.55 H new ATOM 0 HD11 LEU A 64 -5.358 -19.538 -7.611 1.00 73.13 H new ATOM 0 HD12 LEU A 64 -3.768 -19.551 -6.811 1.00 73.13 H new ATOM 0 HD13 LEU A 64 -3.899 -19.969 -8.536 1.00 73.13 H new ATOM 0 HD21 LEU A 64 -6.481 -21.670 -8.209 1.00 51.11 H new ATOM 0 HD22 LEU A 64 -5.081 -22.199 -9.172 1.00 51.11 H new ATOM 0 HD23 LEU A 64 -5.694 -23.227 -7.855 1.00 51.11 H new ATOM 1036 N LEU A 65 -2.602 -25.186 -6.349 1.00 64.23 N ATOM 1037 CA LEU A 65 -1.852 -26.380 -6.678 1.00 74.31 C ATOM 1038 C LEU A 65 -2.095 -26.632 -8.164 1.00 51.02 C ATOM 1039 O LEU A 65 -3.089 -27.259 -8.521 1.00 40.24 O ATOM 1040 CB LEU A 65 -2.364 -27.534 -5.801 1.00 21.22 C ATOM 1041 CG LEU A 65 -1.549 -28.825 -5.975 1.00 45.12 C ATOM 1042 CD1 LEU A 65 -0.221 -28.719 -5.220 1.00 41.04 C ATOM 1043 CD2 LEU A 65 -2.350 -30.020 -5.447 1.00 42.41 C ATOM 0 H LEU A 65 -3.602 -25.289 -6.522 1.00 64.23 H new ATOM 0 HA LEU A 65 -0.782 -26.284 -6.492 1.00 74.31 H new ATOM 0 HB2 LEU A 65 -2.334 -27.230 -4.755 1.00 21.22 H new ATOM 0 HB3 LEU A 65 -3.407 -27.734 -6.045 1.00 21.22 H new ATOM 0 HG LEU A 65 -1.342 -28.970 -7.035 1.00 45.12 H new ATOM 0 HD11 LEU A 65 0.347 -29.640 -5.351 1.00 41.04 H new ATOM 0 HD12 LEU A 65 0.354 -27.879 -5.611 1.00 41.04 H new ATOM 0 HD13 LEU A 65 -0.417 -28.562 -4.159 1.00 41.04 H new ATOM 0 HD21 LEU A 65 -1.767 -30.933 -5.573 1.00 42.41 H new ATOM 0 HD22 LEU A 65 -2.569 -29.872 -4.390 1.00 42.41 H new ATOM 0 HD23 LEU A 65 -3.284 -30.106 -6.003 1.00 42.41 H new ATOM 1055 N TYR A 66 -1.221 -26.113 -9.034 1.00 60.23 N ATOM 1056 CA TYR A 66 -1.388 -26.257 -10.474 1.00 23.30 C ATOM 1057 C TYR A 66 -0.738 -27.561 -10.939 1.00 64.41 C ATOM 1058 O TYR A 66 0.415 -27.548 -11.372 1.00 40.44 O ATOM 1059 CB TYR A 66 -0.816 -25.035 -11.200 1.00 71.14 C ATOM 1060 CG TYR A 66 -1.641 -23.773 -11.038 1.00 31.32 C ATOM 1061 CD1 TYR A 66 -2.816 -23.605 -11.792 1.00 12.05 C ATOM 1062 CD2 TYR A 66 -1.199 -22.734 -10.200 1.00 11.32 C ATOM 1063 CE1 TYR A 66 -3.495 -22.375 -11.784 1.00 33.51 C ATOM 1064 CE2 TYR A 66 -1.895 -21.510 -10.172 1.00 63.13 C ATOM 1065 CZ TYR A 66 -3.020 -21.320 -10.993 1.00 41.34 C ATOM 1066 OH TYR A 66 -3.654 -20.113 -11.017 1.00 5.30 O ATOM 0 H TYR A 66 -0.390 -25.589 -8.759 1.00 60.23 H new ATOM 0 HA TYR A 66 -2.449 -26.308 -10.719 1.00 23.30 H new ATOM 0 HB2 TYR A 66 0.192 -24.846 -10.831 1.00 71.14 H new ATOM 0 HB3 TYR A 66 -0.729 -25.265 -12.262 1.00 71.14 H new ATOM 0 HD1 TYR A 66 -3.199 -24.426 -12.380 1.00 12.05 H new ATOM 0 HD2 TYR A 66 -0.327 -22.874 -9.579 1.00 11.32 H new ATOM 0 HE1 TYR A 66 -4.382 -22.243 -12.386 1.00 33.51 H new ATOM 0 HE2 TYR A 66 -1.564 -20.716 -9.519 1.00 63.13 H new ATOM 0 HH TYR A 66 -4.606 -20.247 -11.207 1.00 5.30 H new ATOM 1076 N TYR A 67 -1.473 -28.680 -10.827 1.00 40.42 N ATOM 1077 CA TYR A 67 -0.920 -30.016 -11.027 1.00 42.14 C ATOM 1078 C TYR A 67 -1.313 -30.622 -12.379 1.00 43.21 C ATOM 1079 O TYR A 67 -2.492 -30.851 -12.636 1.00 61.53 O ATOM 1080 CB TYR A 67 -1.276 -30.943 -9.851 1.00 53.52 C ATOM 1081 CG TYR A 67 -2.736 -31.335 -9.707 1.00 71.34 C ATOM 1082 CD1 TYR A 67 -3.202 -32.552 -10.243 1.00 1.41 C ATOM 1083 CD2 TYR A 67 -3.619 -30.519 -8.979 1.00 52.24 C ATOM 1084 CE1 TYR A 67 -4.554 -32.911 -10.104 1.00 23.54 C ATOM 1085 CE2 TYR A 67 -4.985 -30.841 -8.901 1.00 33.21 C ATOM 1086 CZ TYR A 67 -5.455 -32.034 -9.474 1.00 23.31 C ATOM 1087 OH TYR A 67 -6.782 -32.343 -9.418 1.00 0.40 O ATOM 0 H TYR A 67 -2.466 -28.676 -10.595 1.00 40.42 H new ATOM 0 HA TYR A 67 0.165 -29.913 -11.051 1.00 42.14 H new ATOM 0 HB2 TYR A 67 -0.687 -31.855 -9.947 1.00 53.52 H new ATOM 0 HB3 TYR A 67 -0.962 -30.456 -8.928 1.00 53.52 H new ATOM 0 HD1 TYR A 67 -2.520 -33.210 -10.761 1.00 1.41 H new ATOM 0 HD2 TYR A 67 -3.246 -29.639 -8.476 1.00 52.24 H new ATOM 0 HE1 TYR A 67 -4.901 -33.861 -10.481 1.00 23.54 H new ATOM 0 HE2 TYR A 67 -5.671 -30.173 -8.402 1.00 33.21 H new ATOM 0 HH TYR A 67 -7.098 -32.592 -10.312 1.00 0.40 H new ATOM 1097 N THR A 68 -0.319 -30.917 -13.226 1.00 60.12 N ATOM 1098 CA THR A 68 -0.494 -31.711 -14.438 1.00 12.01 C ATOM 1099 C THR A 68 -0.055 -33.160 -14.196 1.00 3.03 C ATOM 1100 O THR A 68 0.833 -33.417 -13.382 1.00 60.24 O ATOM 1101 CB THR A 68 0.273 -31.077 -15.610 1.00 64.45 C ATOM 1102 OG1 THR A 68 0.031 -31.811 -16.790 1.00 5.51 O ATOM 1103 CG2 THR A 68 1.786 -30.999 -15.381 1.00 5.34 C ATOM 0 H THR A 68 0.641 -30.604 -13.082 1.00 60.12 H new ATOM 0 HA THR A 68 -1.551 -31.724 -14.702 1.00 12.01 H new ATOM 0 HB THR A 68 -0.095 -30.055 -15.697 1.00 64.45 H new ATOM 0 HG1 THR A 68 0.861 -31.883 -17.306 1.00 5.51 H new ATOM 0 HG21 THR A 68 2.262 -30.541 -16.248 1.00 5.34 H new ATOM 0 HG22 THR A 68 1.989 -30.397 -14.495 1.00 5.34 H new ATOM 0 HG23 THR A 68 2.184 -32.003 -15.237 1.00 5.34 H new ATOM 1111 N GLU A 69 -0.656 -34.093 -14.945 1.00 42.14 N ATOM 1112 CA GLU A 69 -0.227 -35.481 -15.037 1.00 43.41 C ATOM 1113 C GLU A 69 0.846 -35.577 -16.126 1.00 72.32 C ATOM 1114 O GLU A 69 0.529 -35.759 -17.300 1.00 54.33 O ATOM 1115 CB GLU A 69 -1.454 -36.372 -15.305 1.00 21.24 C ATOM 1116 CG GLU A 69 -1.129 -37.815 -15.726 1.00 2.33 C ATOM 1117 CD GLU A 69 -0.003 -38.446 -14.910 1.00 13.40 C ATOM 1118 OE1 GLU A 69 1.075 -38.666 -15.504 1.00 43.41 O ATOM 1119 OE2 GLU A 69 -0.239 -38.699 -13.708 1.00 0.14 O ATOM 0 H GLU A 69 -1.476 -33.891 -15.517 1.00 42.14 H new ATOM 0 HA GLU A 69 0.216 -35.835 -14.106 1.00 43.41 H new ATOM 0 HB2 GLU A 69 -2.067 -36.401 -14.404 1.00 21.24 H new ATOM 0 HB3 GLU A 69 -2.057 -35.909 -16.086 1.00 21.24 H new ATOM 0 HG2 GLU A 69 -2.026 -38.426 -15.626 1.00 2.33 H new ATOM 0 HG3 GLU A 69 -0.853 -37.825 -16.780 1.00 2.33 H new ATOM 1126 N PHE A 70 2.115 -35.427 -15.725 1.00 13.12 N ATOM 1127 CA PHE A 70 3.274 -35.487 -16.607 1.00 64.53 C ATOM 1128 C PHE A 70 3.909 -36.877 -16.590 1.00 60.43 C ATOM 1129 O PHE A 70 4.044 -37.487 -15.533 1.00 4.02 O ATOM 1130 CB PHE A 70 4.312 -34.416 -16.231 1.00 43.25 C ATOM 1131 CG PHE A 70 5.285 -34.745 -15.106 1.00 23.44 C ATOM 1132 CD1 PHE A 70 4.829 -35.032 -13.807 1.00 0.54 C ATOM 1133 CD2 PHE A 70 6.670 -34.710 -15.348 1.00 63.43 C ATOM 1134 CE1 PHE A 70 5.744 -35.251 -12.762 1.00 60.51 C ATOM 1135 CE2 PHE A 70 7.582 -34.851 -14.292 1.00 2.23 C ATOM 1136 CZ PHE A 70 7.122 -35.152 -13.003 1.00 60.13 C ATOM 0 H PHE A 70 2.364 -35.256 -14.751 1.00 13.12 H new ATOM 0 HA PHE A 70 2.926 -35.284 -17.620 1.00 64.53 H new ATOM 0 HB2 PHE A 70 4.895 -34.184 -17.123 1.00 43.25 H new ATOM 0 HB3 PHE A 70 3.775 -33.508 -15.956 1.00 43.25 H new ATOM 0 HD1 PHE A 70 3.768 -35.085 -13.611 1.00 0.54 H new ATOM 0 HD2 PHE A 70 7.034 -34.573 -16.355 1.00 63.43 H new ATOM 0 HE1 PHE A 70 5.385 -35.496 -11.773 1.00 60.51 H new ATOM 0 HE2 PHE A 70 8.640 -34.728 -14.472 1.00 2.23 H new ATOM 0 HZ PHE A 70 7.826 -35.307 -12.199 1.00 60.13 H new ATOM 1146 N THR A 71 4.337 -37.359 -17.758 1.00 64.23 N ATOM 1147 CA THR A 71 5.097 -38.594 -17.883 1.00 21.10 C ATOM 1148 C THR A 71 6.583 -38.235 -18.017 1.00 12.40 C ATOM 1149 O THR A 71 7.006 -37.958 -19.138 1.00 11.41 O ATOM 1150 CB THR A 71 4.584 -39.363 -19.114 1.00 71.22 C ATOM 1151 OG1 THR A 71 3.213 -39.661 -18.944 1.00 41.12 O ATOM 1152 CG2 THR A 71 5.346 -40.677 -19.335 1.00 34.23 C ATOM 0 H THR A 71 4.162 -36.895 -18.649 1.00 64.23 H new ATOM 0 HA THR A 71 4.974 -39.231 -17.007 1.00 21.10 H new ATOM 0 HB THR A 71 4.742 -38.726 -19.985 1.00 71.22 H new ATOM 0 HG1 THR A 71 2.885 -40.149 -19.728 1.00 41.12 H new ATOM 0 HG21 THR A 71 4.949 -41.184 -20.214 1.00 34.23 H new ATOM 0 HG22 THR A 71 6.404 -40.463 -19.486 1.00 34.23 H new ATOM 0 HG23 THR A 71 5.227 -41.318 -18.462 1.00 34.23 H new ATOM 1160 N PRO A 72 7.389 -38.222 -16.935 1.00 20.24 N ATOM 1161 CA PRO A 72 8.826 -37.985 -17.016 1.00 40.23 C ATOM 1162 C PRO A 72 9.533 -39.098 -17.792 1.00 71.11 C ATOM 1163 O PRO A 72 10.009 -40.074 -17.213 1.00 35.11 O ATOM 1164 CB PRO A 72 9.332 -37.879 -15.572 1.00 4.20 C ATOM 1165 CG PRO A 72 8.285 -38.652 -14.776 1.00 3.04 C ATOM 1166 CD PRO A 72 7.002 -38.332 -15.538 1.00 54.34 C ATOM 0 HA PRO A 72 9.042 -37.068 -17.563 1.00 40.23 H new ATOM 0 HB2 PRO A 72 10.325 -38.315 -15.461 1.00 4.20 H new ATOM 0 HB3 PRO A 72 9.401 -36.842 -15.245 1.00 4.20 H new ATOM 0 HG2 PRO A 72 8.493 -39.722 -14.760 1.00 3.04 H new ATOM 0 HG3 PRO A 72 8.236 -38.321 -13.739 1.00 3.04 H new ATOM 0 HD2 PRO A 72 6.258 -39.117 -15.399 1.00 54.34 H new ATOM 0 HD3 PRO A 72 6.556 -37.403 -15.181 1.00 54.34 H new ATOM 1174 N THR A 73 9.639 -38.907 -19.111 1.00 42.32 N ATOM 1175 CA THR A 73 10.549 -39.653 -19.960 1.00 12.03 C ATOM 1176 C THR A 73 11.937 -39.038 -19.777 1.00 25.30 C ATOM 1177 O THR A 73 12.066 -37.824 -19.611 1.00 3.15 O ATOM 1178 CB THR A 73 10.082 -39.575 -21.418 1.00 24.34 C ATOM 1179 OG1 THR A 73 8.740 -40.011 -21.510 1.00 64.14 O ATOM 1180 CG2 THR A 73 10.945 -40.421 -22.358 1.00 42.35 C ATOM 0 H THR A 73 9.083 -38.218 -19.618 1.00 42.32 H new ATOM 0 HA THR A 73 10.575 -40.709 -19.691 1.00 12.03 H new ATOM 0 HB THR A 73 10.174 -38.534 -21.729 1.00 24.34 H new ATOM 0 HG1 THR A 73 8.442 -39.959 -22.442 1.00 64.14 H new ATOM 0 HG21 THR A 73 10.570 -40.329 -23.377 1.00 42.35 H new ATOM 0 HG22 THR A 73 11.977 -40.072 -22.318 1.00 42.35 H new ATOM 0 HG23 THR A 73 10.903 -41.465 -22.049 1.00 42.35 H new ATOM 1188 N GLU A 74 12.964 -39.892 -19.783 1.00 23.32 N ATOM 1189 CA GLU A 74 14.345 -39.527 -19.492 1.00 71.33 C ATOM 1190 C GLU A 74 14.982 -38.924 -20.745 1.00 41.25 C ATOM 1191 O GLU A 74 15.857 -39.523 -21.368 1.00 20.23 O ATOM 1192 CB GLU A 74 15.080 -40.770 -18.962 1.00 55.13 C ATOM 1193 CG GLU A 74 16.547 -40.556 -18.551 1.00 20.30 C ATOM 1194 CD GLU A 74 16.718 -39.468 -17.495 1.00 32.54 C ATOM 1195 OE1 GLU A 74 16.252 -39.696 -16.359 1.00 74.44 O ATOM 1196 OE2 GLU A 74 17.313 -38.422 -17.836 1.00 24.24 O ATOM 0 H GLU A 74 12.850 -40.883 -19.997 1.00 23.32 H new ATOM 0 HA GLU A 74 14.406 -38.763 -18.717 1.00 71.33 H new ATOM 0 HB2 GLU A 74 14.533 -41.152 -18.100 1.00 55.13 H new ATOM 0 HB3 GLU A 74 15.047 -41.543 -19.729 1.00 55.13 H new ATOM 0 HG2 GLU A 74 16.952 -41.493 -18.168 1.00 20.30 H new ATOM 0 HG3 GLU A 74 17.131 -40.293 -19.433 1.00 20.30 H new ATOM 1203 N LYS A 75 14.512 -37.726 -21.109 1.00 54.02 N ATOM 1204 CA LYS A 75 14.973 -36.956 -22.254 1.00 51.44 C ATOM 1205 C LYS A 75 14.340 -35.559 -22.217 1.00 33.15 C ATOM 1206 O LYS A 75 15.018 -34.565 -22.474 1.00 12.20 O ATOM 1207 CB LYS A 75 14.642 -37.689 -23.569 1.00 11.50 C ATOM 1208 CG LYS A 75 15.434 -37.134 -24.760 1.00 13.23 C ATOM 1209 CD LYS A 75 16.893 -37.611 -24.734 1.00 23.21 C ATOM 1210 CE LYS A 75 17.708 -36.911 -25.822 1.00 45.21 C ATOM 1211 NZ LYS A 75 19.113 -37.348 -25.789 1.00 2.50 N ATOM 0 H LYS A 75 13.772 -37.254 -20.590 1.00 54.02 H new ATOM 0 HA LYS A 75 16.057 -36.848 -22.206 1.00 51.44 H new ATOM 0 HB2 LYS A 75 14.859 -38.751 -23.455 1.00 11.50 H new ATOM 0 HB3 LYS A 75 13.575 -37.601 -23.773 1.00 11.50 H new ATOM 0 HG2 LYS A 75 14.963 -37.450 -25.691 1.00 13.23 H new ATOM 0 HG3 LYS A 75 15.405 -36.045 -24.742 1.00 13.23 H new ATOM 0 HD2 LYS A 75 17.330 -37.407 -23.757 1.00 23.21 H new ATOM 0 HD3 LYS A 75 16.931 -38.690 -24.881 1.00 23.21 H new ATOM 0 HE2 LYS A 75 17.278 -37.128 -26.800 1.00 45.21 H new ATOM 0 HE3 LYS A 75 17.656 -35.831 -25.683 1.00 45.21 H new ATOM 0 HZ1 LYS A 75 19.646 -36.859 -26.536 1.00 2.50 H new ATOM 0 HZ2 LYS A 75 19.526 -37.119 -24.863 1.00 2.50 H new ATOM 0 HZ3 LYS A 75 19.161 -38.375 -25.945 1.00 2.50 H new ATOM 1225 N ASP A 76 13.042 -35.496 -21.890 1.00 64.41 N ATOM 1226 CA ASP A 76 12.258 -34.270 -21.787 1.00 11.40 C ATOM 1227 C ASP A 76 12.546 -33.540 -20.471 1.00 64.43 C ATOM 1228 O ASP A 76 13.059 -34.139 -19.526 1.00 44.02 O ATOM 1229 CB ASP A 76 10.772 -34.634 -21.885 1.00 14.31 C ATOM 1230 CG ASP A 76 10.418 -35.184 -23.264 1.00 1.51 C ATOM 1231 OD1 ASP A 76 10.106 -34.353 -24.145 1.00 71.15 O ATOM 1232 OD2 ASP A 76 10.470 -36.424 -23.416 1.00 31.33 O ATOM 0 H ASP A 76 12.494 -36.331 -21.683 1.00 64.41 H new ATOM 0 HA ASP A 76 12.531 -33.596 -22.599 1.00 11.40 H new ATOM 0 HB2 ASP A 76 10.527 -35.374 -21.124 1.00 14.31 H new ATOM 0 HB3 ASP A 76 10.166 -33.752 -21.678 1.00 14.31 H new ATOM 1237 N GLU A 77 12.205 -32.244 -20.422 1.00 43.33 N ATOM 1238 CA GLU A 77 12.402 -31.370 -19.269 1.00 35.52 C ATOM 1239 C GLU A 77 11.146 -30.526 -19.026 1.00 20.21 C ATOM 1240 O GLU A 77 10.544 -30.019 -19.970 1.00 73.22 O ATOM 1241 CB GLU A 77 13.656 -30.502 -19.459 1.00 11.52 C ATOM 1242 CG GLU A 77 13.715 -29.769 -20.806 1.00 62.32 C ATOM 1243 CD GLU A 77 14.848 -28.747 -20.820 1.00 44.04 C ATOM 1244 OE1 GLU A 77 15.947 -29.114 -21.291 1.00 35.30 O ATOM 1245 OE2 GLU A 77 14.600 -27.616 -20.349 1.00 44.13 O ATOM 0 H GLU A 77 11.771 -31.766 -21.211 1.00 43.33 H new ATOM 0 HA GLU A 77 12.565 -31.979 -18.380 1.00 35.52 H new ATOM 0 HB2 GLU A 77 13.700 -29.767 -18.656 1.00 11.52 H new ATOM 0 HB3 GLU A 77 14.539 -31.133 -19.363 1.00 11.52 H new ATOM 0 HG2 GLU A 77 13.860 -30.490 -21.611 1.00 62.32 H new ATOM 0 HG3 GLU A 77 12.765 -29.268 -20.994 1.00 62.32 H new ATOM 1252 N TYR A 78 10.733 -30.414 -17.756 1.00 0.24 N ATOM 1253 CA TYR A 78 9.426 -29.896 -17.359 1.00 44.53 C ATOM 1254 C TYR A 78 9.584 -28.551 -16.652 1.00 15.31 C ATOM 1255 O TYR A 78 10.507 -28.385 -15.853 1.00 72.11 O ATOM 1256 CB TYR A 78 8.740 -30.939 -16.468 1.00 13.21 C ATOM 1257 CG TYR A 78 8.508 -32.252 -17.196 1.00 21.31 C ATOM 1258 CD1 TYR A 78 9.560 -33.178 -17.336 1.00 0.31 C ATOM 1259 CD2 TYR A 78 7.308 -32.455 -17.903 1.00 65.22 C ATOM 1260 CE1 TYR A 78 9.443 -34.258 -18.226 1.00 61.52 C ATOM 1261 CE2 TYR A 78 7.173 -33.566 -18.751 1.00 33.55 C ATOM 1262 CZ TYR A 78 8.254 -34.443 -18.947 1.00 5.34 C ATOM 1263 OH TYR A 78 8.148 -35.477 -19.829 1.00 23.44 O ATOM 0 H TYR A 78 11.314 -30.688 -16.963 1.00 0.24 H new ATOM 0 HA TYR A 78 8.801 -29.721 -18.235 1.00 44.53 H new ATOM 0 HB2 TYR A 78 9.352 -31.119 -15.584 1.00 13.21 H new ATOM 0 HB3 TYR A 78 7.785 -30.545 -16.119 1.00 13.21 H new ATOM 0 HD1 TYR A 78 10.462 -33.057 -16.755 1.00 0.31 H new ATOM 0 HD2 TYR A 78 6.492 -31.757 -17.793 1.00 65.22 H new ATOM 0 HE1 TYR A 78 10.267 -34.945 -18.355 1.00 61.52 H new ATOM 0 HE2 TYR A 78 6.235 -33.747 -19.255 1.00 33.55 H new ATOM 0 HH TYR A 78 7.725 -36.242 -19.387 1.00 23.44 H new ATOM 1273 N ALA A 79 8.712 -27.584 -16.972 1.00 41.55 N ATOM 1274 CA ALA A 79 8.901 -26.200 -16.559 1.00 20.20 C ATOM 1275 C ALA A 79 7.580 -25.463 -16.349 1.00 40.45 C ATOM 1276 O ALA A 79 6.756 -25.391 -17.258 1.00 20.41 O ATOM 1277 CB ALA A 79 9.736 -25.478 -17.619 1.00 41.53 C ATOM 0 H ALA A 79 7.866 -27.744 -17.519 1.00 41.55 H new ATOM 0 HA ALA A 79 9.416 -26.205 -15.598 1.00 20.20 H new ATOM 0 HB1 ALA A 79 9.884 -24.440 -17.321 1.00 41.53 H new ATOM 0 HB2 ALA A 79 10.704 -25.969 -17.716 1.00 41.53 H new ATOM 0 HB3 ALA A 79 9.215 -25.510 -18.576 1.00 41.53 H new ATOM 1283 N CYS A 80 7.415 -24.874 -15.156 1.00 53.34 N ATOM 1284 CA CYS A 80 6.280 -24.032 -14.813 1.00 34.40 C ATOM 1285 C CYS A 80 6.586 -22.581 -15.187 1.00 22.20 C ATOM 1286 O CYS A 80 7.508 -21.985 -14.638 1.00 11.30 O ATOM 1287 CB CYS A 80 5.949 -24.185 -13.325 1.00 13.34 C ATOM 1288 SG CYS A 80 4.356 -23.460 -12.869 1.00 73.13 S ATOM 0 H CYS A 80 8.085 -24.977 -14.394 1.00 53.34 H new ATOM 0 HA CYS A 80 5.401 -24.342 -15.378 1.00 34.40 H new ATOM 0 HB2 CYS A 80 5.945 -25.244 -13.068 1.00 13.34 H new ATOM 0 HB3 CYS A 80 6.736 -23.716 -12.735 1.00 13.34 H new ATOM 1293 N ARG A 81 5.817 -22.025 -16.130 1.00 3.32 N ATOM 1294 CA ARG A 81 5.959 -20.674 -16.648 1.00 34.23 C ATOM 1295 C ARG A 81 5.046 -19.780 -15.817 1.00 33.21 C ATOM 1296 O ARG A 81 3.859 -19.652 -16.117 1.00 45.15 O ATOM 1297 CB ARG A 81 5.605 -20.670 -18.147 1.00 20.42 C ATOM 1298 CG ARG A 81 5.499 -19.250 -18.712 1.00 53.14 C ATOM 1299 CD ARG A 81 5.468 -19.206 -20.242 1.00 1.11 C ATOM 1300 NE ARG A 81 5.328 -17.814 -20.697 1.00 74.11 N ATOM 1301 CZ ARG A 81 4.172 -17.160 -20.921 1.00 0.03 C ATOM 1302 NH1 ARG A 81 3.005 -17.808 -21.033 1.00 75.21 N ATOM 1303 NH2 ARG A 81 4.185 -15.825 -21.033 1.00 72.52 N ATOM 0 H ARG A 81 5.048 -22.532 -16.567 1.00 3.32 H new ATOM 0 HA ARG A 81 6.980 -20.299 -16.569 1.00 34.23 H new ATOM 0 HB2 ARG A 81 6.364 -21.223 -18.700 1.00 20.42 H new ATOM 0 HB3 ARG A 81 4.659 -21.190 -18.297 1.00 20.42 H new ATOM 0 HG2 ARG A 81 4.596 -18.779 -18.324 1.00 53.14 H new ATOM 0 HG3 ARG A 81 6.344 -18.661 -18.356 1.00 53.14 H new ATOM 0 HD2 ARG A 81 6.382 -19.640 -20.646 1.00 1.11 H new ATOM 0 HD3 ARG A 81 4.638 -19.806 -20.616 1.00 1.11 H new ATOM 0 HE ARG A 81 6.190 -17.294 -20.859 1.00 74.11 H new ATOM 0 HH11 ARG A 81 2.976 -18.824 -20.949 1.00 75.21 H new ATOM 0 HH12 ARG A 81 2.146 -17.285 -21.203 1.00 75.21 H new ATOM 0 HH21 ARG A 81 5.064 -15.315 -20.949 1.00 72.52 H new ATOM 0 HH22 ARG A 81 3.316 -15.319 -21.203 1.00 72.52 H new ATOM 1317 N VAL A 82 5.598 -19.197 -14.748 1.00 42.03 N ATOM 1318 CA VAL A 82 4.836 -18.417 -13.790 1.00 71.54 C ATOM 1319 C VAL A 82 4.970 -16.938 -14.151 1.00 71.21 C ATOM 1320 O VAL A 82 6.004 -16.326 -13.886 1.00 72.15 O ATOM 1321 CB VAL A 82 5.309 -18.728 -12.359 1.00 71.54 C ATOM 1322 CG1 VAL A 82 4.413 -17.999 -11.359 1.00 75.42 C ATOM 1323 CG2 VAL A 82 5.220 -20.226 -12.040 1.00 52.41 C ATOM 0 H VAL A 82 6.592 -19.258 -14.529 1.00 42.03 H new ATOM 0 HA VAL A 82 3.779 -18.679 -13.829 1.00 71.54 H new ATOM 0 HB VAL A 82 6.347 -18.404 -12.285 1.00 71.54 H new ATOM 0 HG11 VAL A 82 4.746 -18.218 -10.345 1.00 75.42 H new ATOM 0 HG12 VAL A 82 4.469 -16.925 -11.536 1.00 75.42 H new ATOM 0 HG13 VAL A 82 3.383 -18.333 -11.482 1.00 75.42 H new ATOM 0 HG21 VAL A 82 5.563 -20.402 -11.021 1.00 52.41 H new ATOM 0 HG22 VAL A 82 4.186 -20.558 -12.137 1.00 52.41 H new ATOM 0 HG23 VAL A 82 5.847 -20.784 -12.735 1.00 52.41 H new ATOM 1333 N ASN A 83 3.915 -16.375 -14.754 1.00 63.32 N ATOM 1334 CA ASN A 83 3.791 -14.951 -15.041 1.00 52.15 C ATOM 1335 C ASN A 83 2.809 -14.333 -14.050 1.00 35.42 C ATOM 1336 O ASN A 83 1.909 -15.008 -13.552 1.00 33.42 O ATOM 1337 CB ASN A 83 3.298 -14.724 -16.475 1.00 22.30 C ATOM 1338 CG ASN A 83 4.372 -15.029 -17.513 1.00 32.10 C ATOM 1339 OD1 ASN A 83 4.889 -14.124 -18.164 1.00 0.42 O ATOM 1340 ND2 ASN A 83 4.705 -16.310 -17.673 1.00 5.51 N ATOM 0 H ASN A 83 3.107 -16.916 -15.061 1.00 63.32 H new ATOM 0 HA ASN A 83 4.769 -14.480 -14.942 1.00 52.15 H new ATOM 0 HB2 ASN A 83 2.427 -15.353 -16.661 1.00 22.30 H new ATOM 0 HB3 ASN A 83 2.973 -13.689 -16.585 1.00 22.30 H new ATOM 0 HD21 ASN A 83 5.415 -16.571 -18.358 1.00 5.51 H new ATOM 0 HD22 ASN A 83 4.250 -17.029 -17.111 1.00 5.51 H new ATOM 1347 N HIS A 84 2.993 -13.038 -13.776 1.00 0.00 N ATOM 1348 CA HIS A 84 2.141 -12.247 -12.902 1.00 0.00 C ATOM 1349 C HIS A 84 2.298 -10.774 -13.287 1.00 0.00 C ATOM 1350 O HIS A 84 3.199 -10.426 -14.049 1.00 0.00 O ATOM 1351 CB HIS A 84 2.533 -12.508 -11.438 1.00 0.00 C ATOM 1352 CG HIS A 84 1.563 -11.949 -10.423 1.00 0.00 C ATOM 1353 ND1 HIS A 84 1.790 -10.736 -9.775 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.404 -12.491 -9.939 1.00 0.00 C ATOM 1355 CE1 HIS A 84 0.755 -10.590 -8.943 1.00 0.00 C ATOM 1356 NE2 HIS A 84 -0.124 -11.597 -9.031 1.00 0.00 N ATOM 0 H HIS A 84 3.764 -12.501 -14.172 1.00 0.00 H new ATOM 0 HA HIS A 84 1.092 -12.524 -13.013 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.621 -13.584 -11.284 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.518 -12.078 -11.256 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.020 -13.445 -10.217 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.640 -9.751 -8.272 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -1.007 -11.685 -8.528 1.00 0.00 H new ATOM 1364 N VAL A 85 1.436 -9.902 -12.752 1.00 43.21 N ATOM 1365 CA VAL A 85 1.558 -8.459 -12.930 1.00 41.11 C ATOM 1366 C VAL A 85 2.881 -7.945 -12.340 1.00 74.11 C ATOM 1367 O VAL A 85 3.446 -6.987 -12.866 1.00 62.23 O ATOM 1368 CB VAL A 85 0.309 -7.749 -12.374 1.00 45.04 C ATOM 1369 CG1 VAL A 85 0.500 -6.234 -12.244 1.00 42.34 C ATOM 1370 CG2 VAL A 85 -0.875 -7.993 -13.319 1.00 44.55 C ATOM 0 H VAL A 85 0.636 -10.181 -12.184 1.00 43.21 H new ATOM 0 HA VAL A 85 1.599 -8.221 -13.993 1.00 41.11 H new ATOM 0 HB VAL A 85 0.127 -8.159 -11.381 1.00 45.04 H new ATOM 0 HG11 VAL A 85 -0.411 -5.785 -11.848 1.00 42.34 H new ATOM 0 HG12 VAL A 85 1.330 -6.029 -11.568 1.00 42.34 H new ATOM 0 HG13 VAL A 85 0.717 -5.809 -13.224 1.00 42.34 H new ATOM 0 HG21 VAL A 85 -1.761 -7.492 -12.929 1.00 44.55 H new ATOM 0 HG22 VAL A 85 -0.640 -7.597 -14.307 1.00 44.55 H new ATOM 0 HG23 VAL A 85 -1.067 -9.063 -13.393 1.00 44.55 H new ATOM 1380 N THR A 86 3.402 -8.592 -11.287 1.00 13.10 N ATOM 1381 CA THR A 86 4.704 -8.271 -10.719 1.00 32.13 C ATOM 1382 C THR A 86 5.827 -8.711 -11.662 1.00 52.32 C ATOM 1383 O THR A 86 6.696 -7.909 -11.998 1.00 43.42 O ATOM 1384 CB THR A 86 4.860 -8.920 -9.336 1.00 71.24 C ATOM 1385 OG1 THR A 86 4.638 -10.315 -9.385 1.00 61.22 O ATOM 1386 CG2 THR A 86 3.900 -8.294 -8.325 1.00 1.32 C ATOM 0 H THR A 86 2.923 -9.355 -10.809 1.00 13.10 H new ATOM 0 HA THR A 86 4.772 -7.190 -10.597 1.00 32.13 H new ATOM 0 HB THR A 86 5.887 -8.741 -9.019 1.00 71.24 H new ATOM 0 HG1 THR A 86 3.676 -10.491 -9.451 1.00 61.22 H new ATOM 0 HG21 THR A 86 4.031 -8.772 -7.354 1.00 1.32 H new ATOM 0 HG22 THR A 86 4.110 -7.228 -8.236 1.00 1.32 H new ATOM 0 HG23 THR A 86 2.873 -8.435 -8.663 1.00 1.32 H new ATOM 1394 N LEU A 87 5.815 -9.986 -12.071 1.00 61.24 N ATOM 1395 CA LEU A 87 6.869 -10.579 -12.879 1.00 12.35 C ATOM 1396 C LEU A 87 6.663 -10.201 -14.343 1.00 13.23 C ATOM 1397 O LEU A 87 5.943 -10.884 -15.069 1.00 3.21 O ATOM 1398 CB LEU A 87 6.894 -12.103 -12.696 1.00 3.02 C ATOM 1399 CG LEU A 87 6.977 -12.554 -11.227 1.00 32.31 C ATOM 1400 CD1 LEU A 87 6.938 -14.083 -11.160 1.00 23.32 C ATOM 1401 CD2 LEU A 87 8.254 -12.047 -10.545 1.00 54.11 C ATOM 0 H LEU A 87 5.062 -10.635 -11.844 1.00 61.24 H new ATOM 0 HA LEU A 87 7.835 -10.193 -12.553 1.00 12.35 H new ATOM 0 HB2 LEU A 87 5.997 -12.528 -13.146 1.00 3.02 H new ATOM 0 HB3 LEU A 87 7.747 -12.510 -13.239 1.00 3.02 H new ATOM 0 HG LEU A 87 6.124 -12.129 -10.699 1.00 32.31 H new ATOM 0 HD11 LEU A 87 6.997 -14.403 -10.120 1.00 23.32 H new ATOM 0 HD12 LEU A 87 6.007 -14.443 -11.598 1.00 23.32 H new ATOM 0 HD13 LEU A 87 7.782 -14.493 -11.714 1.00 23.32 H new ATOM 0 HD21 LEU A 87 8.273 -12.387 -9.510 1.00 54.11 H new ATOM 0 HD22 LEU A 87 9.126 -12.435 -11.071 1.00 54.11 H new ATOM 0 HD23 LEU A 87 8.271 -10.957 -10.569 1.00 54.11 H new ATOM 1413 N SER A 88 7.324 -9.120 -14.775 1.00 31.33 N ATOM 1414 CA SER A 88 7.349 -8.690 -16.166 1.00 62.35 C ATOM 1415 C SER A 88 7.831 -9.826 -17.073 1.00 3.04 C ATOM 1416 O SER A 88 7.277 -10.031 -18.152 1.00 74.33 O ATOM 1417 CB SER A 88 8.260 -7.465 -16.311 1.00 2.41 C ATOM 1418 OG SER A 88 7.870 -6.450 -15.411 1.00 12.00 O ATOM 0 H SER A 88 7.862 -8.515 -14.154 1.00 31.33 H new ATOM 0 HA SER A 88 6.338 -8.420 -16.470 1.00 62.35 H new ATOM 0 HB2 SER A 88 9.295 -7.750 -16.121 1.00 2.41 H new ATOM 0 HB3 SER A 88 8.215 -7.090 -17.333 1.00 2.41 H new ATOM 0 HG SER A 88 8.462 -5.676 -15.515 1.00 12.00 H new ATOM 1424 N GLN A 89 8.853 -10.563 -16.619 1.00 3.31 N ATOM 1425 CA GLN A 89 9.440 -11.683 -17.338 1.00 54.14 C ATOM 1426 C GLN A 89 8.714 -12.983 -16.967 1.00 3.33 C ATOM 1427 O GLN A 89 8.214 -13.102 -15.848 1.00 31.10 O ATOM 1428 CB GLN A 89 10.958 -11.744 -17.080 1.00 12.04 C ATOM 1429 CG GLN A 89 11.412 -11.857 -15.614 1.00 11.01 C ATOM 1430 CD GLN A 89 11.124 -13.219 -14.984 1.00 21.42 C ATOM 1431 OE1 GLN A 89 11.490 -14.252 -15.539 1.00 15.13 O ATOM 1432 NE2 GLN A 89 10.478 -13.225 -13.816 1.00 21.12 N ATOM 0 H GLN A 89 9.300 -10.386 -15.719 1.00 3.31 H new ATOM 0 HA GLN A 89 9.311 -11.544 -18.411 1.00 54.14 H new ATOM 0 HB2 GLN A 89 11.361 -12.597 -17.626 1.00 12.04 H new ATOM 0 HB3 GLN A 89 11.411 -10.849 -17.507 1.00 12.04 H new ATOM 0 HG2 GLN A 89 12.483 -11.660 -15.558 1.00 11.01 H new ATOM 0 HG3 GLN A 89 10.915 -11.084 -15.029 1.00 11.01 H new ATOM 0 HE21 GLN A 89 10.191 -12.345 -13.388 1.00 21.12 H new ATOM 0 HE22 GLN A 89 10.272 -14.110 -13.352 1.00 21.12 H new ATOM 1441 N PRO A 90 8.644 -13.964 -17.881 1.00 54.11 N ATOM 1442 CA PRO A 90 8.059 -15.265 -17.603 1.00 3.51 C ATOM 1443 C PRO A 90 9.043 -16.080 -16.761 1.00 31.10 C ATOM 1444 O PRO A 90 10.144 -16.369 -17.226 1.00 31.23 O ATOM 1445 CB PRO A 90 7.816 -15.881 -18.984 1.00 24.33 C ATOM 1446 CG PRO A 90 8.925 -15.285 -19.849 1.00 44.04 C ATOM 1447 CD PRO A 90 9.087 -13.880 -19.266 1.00 73.34 C ATOM 0 HA PRO A 90 7.130 -15.223 -17.034 1.00 3.51 H new ATOM 0 HB2 PRO A 90 7.874 -16.969 -18.953 1.00 24.33 H new ATOM 0 HB3 PRO A 90 6.828 -15.626 -19.368 1.00 24.33 H new ATOM 0 HG2 PRO A 90 9.847 -15.861 -19.779 1.00 44.04 H new ATOM 0 HG3 PRO A 90 8.646 -15.257 -20.902 1.00 44.04 H new ATOM 0 HD2 PRO A 90 10.125 -13.551 -19.324 1.00 73.34 H new ATOM 0 HD3 PRO A 90 8.492 -13.156 -19.822 1.00 73.34 H new ATOM 1455 N LYS A 91 8.671 -16.432 -15.520 1.00 35.44 N ATOM 1456 CA LYS A 91 9.569 -17.156 -14.629 1.00 12.24 C ATOM 1457 C LYS A 91 9.493 -18.640 -14.968 1.00 1.25 C ATOM 1458 O LYS A 91 8.685 -19.376 -14.405 1.00 1.44 O ATOM 1459 CB LYS A 91 9.255 -16.849 -13.157 1.00 40.43 C ATOM 1460 CG LYS A 91 10.448 -17.091 -12.215 1.00 65.31 C ATOM 1461 CD LYS A 91 10.846 -18.564 -12.040 1.00 14.41 C ATOM 1462 CE LYS A 91 11.941 -18.681 -10.972 1.00 74.31 C ATOM 1463 NZ LYS A 91 12.356 -20.078 -10.753 1.00 43.13 N ATOM 0 H LYS A 91 7.756 -16.224 -15.119 1.00 35.44 H new ATOM 0 HA LYS A 91 10.598 -16.828 -14.776 1.00 12.24 H new ATOM 0 HB2 LYS A 91 8.938 -15.810 -13.070 1.00 40.43 H new ATOM 0 HB3 LYS A 91 8.416 -17.467 -12.835 1.00 40.43 H new ATOM 0 HG2 LYS A 91 11.309 -16.540 -12.594 1.00 65.31 H new ATOM 0 HG3 LYS A 91 10.209 -16.676 -11.236 1.00 65.31 H new ATOM 0 HD2 LYS A 91 9.976 -19.153 -11.749 1.00 14.41 H new ATOM 0 HD3 LYS A 91 11.203 -18.969 -12.987 1.00 14.41 H new ATOM 0 HE2 LYS A 91 12.806 -18.090 -11.274 1.00 74.31 H new ATOM 0 HE3 LYS A 91 11.578 -18.260 -10.034 1.00 74.31 H new ATOM 0 HZ1 LYS A 91 13.293 -20.095 -10.302 1.00 43.13 H new ATOM 0 HZ2 LYS A 91 11.666 -20.553 -10.136 1.00 43.13 H new ATOM 0 HZ3 LYS A 91 12.402 -20.574 -11.666 1.00 43.13 H new ATOM 1477 N ILE A 92 10.354 -19.060 -15.899 1.00 34.53 N ATOM 1478 CA ILE A 92 10.508 -20.443 -16.307 1.00 25.35 C ATOM 1479 C ILE A 92 11.213 -21.185 -15.170 1.00 40.51 C ATOM 1480 O ILE A 92 12.413 -21.008 -14.966 1.00 13.43 O ATOM 1481 CB ILE A 92 11.315 -20.518 -17.620 1.00 42.45 C ATOM 1482 CG1 ILE A 92 10.810 -19.565 -18.722 1.00 32.42 C ATOM 1483 CG2 ILE A 92 11.349 -21.963 -18.135 1.00 40.42 C ATOM 1484 CD1 ILE A 92 9.325 -19.713 -19.069 1.00 33.30 C ATOM 0 H ILE A 92 10.976 -18.424 -16.398 1.00 34.53 H new ATOM 0 HA ILE A 92 9.540 -20.906 -16.498 1.00 25.35 H new ATOM 0 HB ILE A 92 12.323 -20.183 -17.377 1.00 42.45 H new ATOM 0 HG12 ILE A 92 10.994 -18.538 -18.407 1.00 32.42 H new ATOM 0 HG13 ILE A 92 11.398 -19.732 -19.625 1.00 32.42 H new ATOM 0 HG21 ILE A 92 11.921 -22.006 -19.062 1.00 40.42 H new ATOM 0 HG22 ILE A 92 11.819 -22.604 -17.389 1.00 40.42 H new ATOM 0 HG23 ILE A 92 10.332 -22.307 -18.320 1.00 40.42 H new ATOM 0 HD11 ILE A 92 9.062 -19.003 -19.853 1.00 33.30 H new ATOM 0 HD12 ILE A 92 9.132 -20.727 -19.419 1.00 33.30 H new ATOM 0 HD13 ILE A 92 8.723 -19.515 -18.182 1.00 33.30 H new ATOM 1496 N VAL A 93 10.467 -22.006 -14.423 1.00 31.30 N ATOM 1497 CA VAL A 93 11.027 -22.833 -13.366 1.00 3.33 C ATOM 1498 C VAL A 93 11.656 -24.065 -14.011 1.00 1.35 C ATOM 1499 O VAL A 93 11.199 -24.519 -15.057 1.00 60.24 O ATOM 1500 CB VAL A 93 9.948 -23.233 -12.343 1.00 62.43 C ATOM 1501 CG1 VAL A 93 10.577 -24.036 -11.193 1.00 65.41 C ATOM 1502 CG2 VAL A 93 9.260 -22.004 -11.741 1.00 61.14 C ATOM 0 H VAL A 93 9.459 -22.111 -14.540 1.00 31.30 H new ATOM 0 HA VAL A 93 11.785 -22.272 -12.820 1.00 3.33 H new ATOM 0 HB VAL A 93 9.211 -23.835 -12.875 1.00 62.43 H new ATOM 0 HG11 VAL A 93 9.803 -24.313 -10.477 1.00 65.41 H new ATOM 0 HG12 VAL A 93 11.042 -24.938 -11.591 1.00 65.41 H new ATOM 0 HG13 VAL A 93 11.332 -23.428 -10.695 1.00 65.41 H new ATOM 0 HG21 VAL A 93 8.505 -22.325 -11.024 1.00 61.14 H new ATOM 0 HG22 VAL A 93 10.000 -21.384 -11.236 1.00 61.14 H new ATOM 0 HG23 VAL A 93 8.785 -21.428 -12.535 1.00 61.14 H new ATOM 1512 N LYS A 94 12.697 -24.602 -13.373 1.00 5.02 N ATOM 1513 CA LYS A 94 13.277 -25.886 -13.717 1.00 1.41 C ATOM 1514 C LYS A 94 12.861 -26.872 -12.629 1.00 31.13 C ATOM 1515 O LYS A 94 13.322 -26.759 -11.494 1.00 41.23 O ATOM 1516 CB LYS A 94 14.798 -25.752 -13.831 1.00 14.34 C ATOM 1517 CG LYS A 94 15.168 -24.830 -15.001 1.00 25.40 C ATOM 1518 CD LYS A 94 16.672 -24.927 -15.283 1.00 23.14 C ATOM 1519 CE LYS A 94 17.068 -24.068 -16.488 1.00 73.52 C ATOM 1520 NZ LYS A 94 18.478 -24.279 -16.860 1.00 71.42 N ATOM 0 H LYS A 94 13.163 -24.143 -12.590 1.00 5.02 H new ATOM 0 HA LYS A 94 12.923 -26.246 -14.683 1.00 1.41 H new ATOM 0 HB2 LYS A 94 15.205 -25.352 -12.902 1.00 14.34 H new ATOM 0 HB3 LYS A 94 15.246 -26.735 -13.978 1.00 14.34 H new ATOM 0 HG2 LYS A 94 14.603 -25.111 -15.890 1.00 25.40 H new ATOM 0 HG3 LYS A 94 14.899 -23.801 -14.764 1.00 25.40 H new ATOM 0 HD2 LYS A 94 17.231 -24.605 -14.404 1.00 23.14 H new ATOM 0 HD3 LYS A 94 16.943 -25.966 -15.469 1.00 23.14 H new ATOM 0 HE2 LYS A 94 16.427 -24.310 -17.335 1.00 73.52 H new ATOM 0 HE3 LYS A 94 16.905 -23.016 -16.255 1.00 73.52 H new ATOM 0 HZ1 LYS A 94 18.714 -23.683 -17.679 1.00 71.42 H new ATOM 0 HZ2 LYS A 94 19.090 -24.025 -16.059 1.00 71.42 H new ATOM 0 HZ3 LYS A 94 18.626 -25.279 -17.105 1.00 71.42 H new ATOM 1534 N TRP A 95 11.971 -27.813 -12.976 1.00 61.31 N ATOM 1535 CA TRP A 95 11.476 -28.843 -12.077 1.00 34.51 C ATOM 1536 C TRP A 95 12.648 -29.570 -11.414 1.00 62.32 C ATOM 1537 O TRP A 95 13.488 -30.162 -12.091 1.00 32.45 O ATOM 1538 CB TRP A 95 10.588 -29.821 -12.852 1.00 72.55 C ATOM 1539 CG TRP A 95 10.341 -31.136 -12.180 1.00 71.11 C ATOM 1540 CD1 TRP A 95 9.934 -31.322 -10.904 1.00 54.11 C ATOM 1541 CD2 TRP A 95 10.600 -32.465 -12.711 1.00 34.20 C ATOM 1542 NE1 TRP A 95 9.920 -32.668 -10.608 1.00 5.44 N ATOM 1543 CE2 TRP A 95 10.325 -33.421 -11.692 1.00 35.23 C ATOM 1544 CE3 TRP A 95 11.087 -32.954 -13.942 1.00 65.25 C ATOM 1545 CZ2 TRP A 95 10.512 -34.796 -11.891 1.00 52.24 C ATOM 1546 CZ3 TRP A 95 11.274 -34.332 -14.155 1.00 13.14 C ATOM 1547 CH2 TRP A 95 10.981 -35.254 -13.134 1.00 22.34 C ATOM 0 H TRP A 95 11.572 -27.873 -13.913 1.00 61.31 H new ATOM 0 HA TRP A 95 10.877 -28.382 -11.291 1.00 34.51 H new ATOM 0 HB2 TRP A 95 9.627 -29.342 -13.040 1.00 72.55 H new ATOM 0 HB3 TRP A 95 11.045 -30.009 -13.823 1.00 72.55 H new ATOM 0 HD1 TRP A 95 9.661 -30.533 -10.219 1.00 54.11 H new ATOM 0 HE1 TRP A 95 9.646 -33.057 -9.706 1.00 5.44 H new ATOM 0 HE3 TRP A 95 11.320 -32.258 -14.734 1.00 65.25 H new ATOM 0 HZ2 TRP A 95 10.298 -35.496 -11.097 1.00 52.24 H new ATOM 0 HZ3 TRP A 95 11.644 -34.683 -15.107 1.00 13.14 H new ATOM 0 HH2 TRP A 95 11.116 -36.312 -13.305 1.00 22.34 H new ATOM 1558 N ASP A 96 12.680 -29.500 -10.081 1.00 4.34 N ATOM 1559 CA ASP A 96 13.722 -30.066 -9.242 1.00 45.24 C ATOM 1560 C ASP A 96 13.426 -31.550 -9.035 1.00 21.14 C ATOM 1561 O ASP A 96 12.774 -31.932 -8.065 1.00 23.31 O ATOM 1562 CB ASP A 96 13.779 -29.293 -7.917 1.00 40.54 C ATOM 1563 CG ASP A 96 13.957 -27.792 -8.148 1.00 74.15 C ATOM 1564 OD1 ASP A 96 15.102 -27.392 -8.454 1.00 21.21 O ATOM 1565 OD2 ASP A 96 12.942 -27.072 -8.027 1.00 12.41 O ATOM 0 H ASP A 96 11.952 -29.029 -9.544 1.00 4.34 H new ATOM 0 HA ASP A 96 14.701 -29.978 -9.714 1.00 45.24 H new ATOM 0 HB2 ASP A 96 12.863 -29.469 -7.353 1.00 40.54 H new ATOM 0 HB3 ASP A 96 14.604 -29.669 -7.311 1.00 40.54 H new ATOM 1570 N ARG A 97 13.877 -32.383 -9.980 1.00 23.13 N ATOM 1571 CA ARG A 97 13.574 -33.806 -9.993 1.00 32.41 C ATOM 1572 C ARG A 97 14.375 -34.578 -8.947 1.00 44.12 C ATOM 1573 O ARG A 97 13.842 -35.498 -8.328 1.00 25.43 O ATOM 1574 CB ARG A 97 13.746 -34.378 -11.403 1.00 44.03 C ATOM 1575 CG ARG A 97 15.178 -34.477 -11.942 1.00 41.15 C ATOM 1576 CD ARG A 97 15.080 -35.066 -13.354 1.00 53.32 C ATOM 1577 NE ARG A 97 16.394 -35.382 -13.931 1.00 33.31 N ATOM 1578 CZ ARG A 97 16.595 -36.275 -14.919 1.00 63.41 C ATOM 1579 NH1 ARG A 97 15.570 -36.926 -15.490 1.00 45.22 N ATOM 1580 NH2 ARG A 97 17.840 -36.528 -15.344 1.00 34.33 N ATOM 0 H ARG A 97 14.464 -32.081 -10.757 1.00 23.13 H new ATOM 0 HA ARG A 97 12.528 -33.928 -9.712 1.00 32.41 H new ATOM 0 HB2 ARG A 97 13.307 -35.376 -11.420 1.00 44.03 H new ATOM 0 HB3 ARG A 97 13.166 -33.763 -12.091 1.00 44.03 H new ATOM 0 HG2 ARG A 97 15.651 -33.495 -11.965 1.00 41.15 H new ATOM 0 HG3 ARG A 97 15.790 -35.111 -11.300 1.00 41.15 H new ATOM 0 HD2 ARG A 97 14.474 -35.972 -13.324 1.00 53.32 H new ATOM 0 HD3 ARG A 97 14.564 -34.359 -14.003 1.00 53.32 H new ATOM 0 HE ARG A 97 17.208 -34.893 -13.559 1.00 33.31 H new ATOM 0 HH11 ARG A 97 14.615 -36.749 -15.177 1.00 45.22 H new ATOM 0 HH12 ARG A 97 15.745 -37.598 -16.237 1.00 45.22 H new ATOM 0 HH21 ARG A 97 18.632 -36.045 -14.920 1.00 34.33 H new ATOM 0 HH22 ARG A 97 17.996 -37.204 -16.092 1.00 34.33 H new