USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 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 21 ASN : amide:sc= 1.05 K(o=1.3,f=-2.7!) USER MOD Set 1.2: A 27 SER OG : rot 3:sc= 0.224 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.01 (180deg=0.868) USER MOD Single : A 2 ASN : amide:sc= 0.46 K(o=0.46,f=-8.7!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0.639 K(o=0.64,f=-4.5!) USER MOD Single : A 15 HIS : no HD1:sc= -0.0403 K(o=-0.04,f=-5.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 146:sc= 1.22 (180deg=0.691) USER MOD Single : A 25 LYS NZ :NH3+ -179:sc= -0.0755! (180deg=-0.104!) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 2.28 (180deg=1.87) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.074 F(o=-1.4!,f=-0.074) USER MOD Single : A 49 THR OG1 : rot 70:sc= 0.555 USER MOD Single : A 51 LYS NZ :NH3+ 139:sc= -2.25! (180deg=-5.83!) USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= 2.4 (180deg=2.11) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc=-0.000844 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 71 HIS : no HE2:sc= -1.26! C(o=-1.3!,f=-2.8!) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.288 F(o=-1.7,f=-0.29) USER MOD Single : A 84 HIS : no HE2:sc= 0.888 K(o=0.89,f=-5.9!) USER MOD Single : A 85 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.731 -2.625 -14.495 1.00 61.54 N ATOM 2 CA MET A 1 -10.108 -3.099 -14.209 1.00 41.10 C ATOM 3 C MET A 1 -10.119 -4.103 -13.057 1.00 0.03 C ATOM 4 O MET A 1 -11.143 -4.293 -12.402 1.00 33.45 O ATOM 5 CB MET A 1 -10.735 -3.744 -15.452 1.00 74.05 C ATOM 6 CG MET A 1 -10.096 -5.066 -15.853 1.00 24.45 C ATOM 7 SD MET A 1 -11.001 -5.907 -17.166 1.00 61.51 S ATOM 8 CE MET A 1 -10.108 -7.456 -17.253 1.00 52.44 C ATOM 0 H1 MET A 1 -8.756 -1.932 -15.270 1.00 61.54 H new ATOM 0 H2 MET A 1 -8.334 -2.178 -13.644 1.00 61.54 H new ATOM 0 H3 MET A 1 -8.136 -3.432 -14.772 1.00 61.54 H new ATOM 0 HA MET A 1 -10.697 -2.227 -13.923 1.00 41.10 H new ATOM 0 HB2 MET A 1 -11.797 -3.907 -15.268 1.00 74.05 H new ATOM 0 HB3 MET A 1 -10.660 -3.048 -16.287 1.00 74.05 H new ATOM 0 HG2 MET A 1 -9.072 -4.885 -16.181 1.00 24.45 H new ATOM 0 HG3 MET A 1 -10.041 -5.717 -14.981 1.00 24.45 H new ATOM 0 HE1 MET A 1 -10.550 -8.088 -18.023 1.00 52.44 H new ATOM 0 HE2 MET A 1 -9.064 -7.261 -17.499 1.00 52.44 H new ATOM 0 HE3 MET A 1 -10.165 -7.964 -16.290 1.00 52.44 H new ATOM 20 N ASN A 2 -8.990 -4.757 -12.820 1.00 54.14 N ATOM 21 CA ASN A 2 -8.916 -5.787 -11.794 1.00 2.35 C ATOM 22 C ASN A 2 -8.216 -5.249 -10.550 1.00 12.24 C ATOM 23 O ASN A 2 -7.006 -5.007 -10.558 1.00 20.25 O ATOM 24 CB ASN A 2 -8.185 -7.020 -12.339 1.00 63.20 C ATOM 25 CG ASN A 2 -8.152 -8.168 -11.352 1.00 42.33 C ATOM 26 OD1 ASN A 2 -7.212 -8.305 -10.577 1.00 24.12 O ATOM 27 ND2 ASN A 2 -9.181 -8.996 -11.370 1.00 43.41 N ATOM 0 H ASN A 2 -8.117 -4.594 -13.322 1.00 54.14 H new ATOM 0 HA ASN A 2 -9.928 -6.080 -11.514 1.00 2.35 H new ATOM 0 HB2 ASN A 2 -8.673 -7.350 -13.256 1.00 63.20 H new ATOM 0 HB3 ASN A 2 -7.164 -6.744 -12.602 1.00 63.20 H new ATOM 0 HD21 ASN A 2 -9.213 -9.784 -10.723 1.00 43.41 H new ATOM 0 HD22 ASN A 2 -9.944 -8.847 -12.031 1.00 43.41 H new ATOM 34 N VAL A 3 -8.988 -5.058 -9.486 1.00 30.02 N ATOM 35 CA VAL A 3 -8.466 -4.499 -8.245 1.00 13.03 C ATOM 36 C VAL A 3 -7.578 -5.509 -7.524 1.00 20.22 C ATOM 37 O VAL A 3 -6.638 -5.137 -6.826 1.00 22.25 O ATOM 38 CB VAL A 3 -9.608 -4.041 -7.307 1.00 55.15 C ATOM 39 CG1 VAL A 3 -10.459 -5.219 -6.848 1.00 72.31 C ATOM 40 CG2 VAL A 3 -9.047 -3.282 -6.116 1.00 55.42 C ATOM 0 H VAL A 3 -9.982 -5.283 -9.459 1.00 30.02 H new ATOM 0 HA VAL A 3 -7.868 -3.627 -8.510 1.00 13.03 H new ATOM 0 HB VAL A 3 -10.255 -3.370 -7.871 1.00 55.15 H new ATOM 0 HG11 VAL A 3 -11.251 -4.861 -6.191 1.00 72.31 H new ATOM 0 HG12 VAL A 3 -10.901 -5.709 -7.716 1.00 72.31 H new ATOM 0 HG13 VAL A 3 -9.834 -5.931 -6.309 1.00 72.31 H new ATOM 0 HG21 VAL A 3 -9.864 -2.968 -5.467 1.00 55.42 H new ATOM 0 HG22 VAL A 3 -8.370 -3.929 -5.559 1.00 55.42 H new ATOM 0 HG23 VAL A 3 -8.504 -2.404 -6.467 1.00 55.42 H new ATOM 50 N ASP A 4 -7.868 -6.789 -7.722 1.00 73.45 N ATOM 51 CA ASP A 4 -7.111 -7.859 -7.077 1.00 3.11 C ATOM 52 C ASP A 4 -5.642 -7.809 -7.490 1.00 62.43 C ATOM 53 O ASP A 4 -4.742 -7.979 -6.666 1.00 43.44 O ATOM 54 CB ASP A 4 -7.714 -9.219 -7.427 1.00 65.15 C ATOM 55 CG ASP A 4 -6.952 -10.373 -6.808 1.00 32.54 C ATOM 56 OD1 ASP A 4 -7.099 -10.606 -5.591 1.00 52.14 O ATOM 57 OD2 ASP A 4 -6.213 -11.062 -7.547 1.00 50.12 O ATOM 0 H ASP A 4 -8.624 -7.114 -8.325 1.00 73.45 H new ATOM 0 HA ASP A 4 -7.168 -7.716 -5.998 1.00 3.11 H new ATOM 0 HB2 ASP A 4 -8.750 -9.250 -7.089 1.00 65.15 H new ATOM 0 HB3 ASP A 4 -7.728 -9.338 -8.510 1.00 65.15 H new ATOM 62 N HIS A 5 -5.404 -7.548 -8.769 1.00 45.24 N ATOM 63 CA HIS A 5 -4.049 -7.420 -9.284 1.00 31.31 C ATOM 64 C HIS A 5 -3.365 -6.209 -8.667 1.00 74.23 C ATOM 65 O HIS A 5 -2.159 -6.220 -8.437 1.00 34.15 O ATOM 66 CB HIS A 5 -4.062 -7.298 -10.811 1.00 13.04 C ATOM 67 CG HIS A 5 -2.698 -7.317 -11.432 1.00 23.41 C ATOM 68 ND1 HIS A 5 -2.087 -6.195 -11.953 1.00 70.41 N ATOM 69 CD2 HIS A 5 -1.831 -8.338 -11.625 1.00 2.15 C ATOM 70 CE1 HIS A 5 -0.904 -6.528 -12.436 1.00 63.34 C ATOM 71 NE2 HIS A 5 -0.724 -7.821 -12.250 1.00 61.33 N ATOM 0 H HIS A 5 -6.134 -7.421 -9.469 1.00 45.24 H new ATOM 0 HA HIS A 5 -3.491 -8.317 -9.014 1.00 31.31 H new ATOM 0 HB2 HIS A 5 -4.651 -8.116 -11.226 1.00 13.04 H new ATOM 0 HB3 HIS A 5 -4.564 -6.371 -11.088 1.00 13.04 H new ATOM 0 HD2 HIS A 5 -1.982 -9.369 -11.340 1.00 2.15 H new ATOM 0 HE1 HIS A 5 -0.202 -5.854 -12.905 1.00 63.34 H new ATOM 0 HE2 HIS A 5 0.103 -8.351 -12.526 1.00 61.33 H new ATOM 80 N GLU A 6 -4.147 -5.173 -8.388 1.00 35.12 N ATOM 81 CA GLU A 6 -3.618 -3.962 -7.780 1.00 61.30 C ATOM 82 C GLU A 6 -3.181 -4.241 -6.349 1.00 3.33 C ATOM 83 O GLU A 6 -2.195 -3.685 -5.877 1.00 12.25 O ATOM 84 CB GLU A 6 -4.658 -2.842 -7.797 1.00 10.05 C ATOM 85 CG GLU A 6 -5.177 -2.518 -9.184 1.00 75.11 C ATOM 86 CD GLU A 6 -6.126 -1.339 -9.188 1.00 4.25 C ATOM 87 OE1 GLU A 6 -7.293 -1.507 -8.780 1.00 42.24 O ATOM 88 OE2 GLU A 6 -5.707 -0.240 -9.600 1.00 54.14 O ATOM 0 H GLU A 6 -5.150 -5.149 -8.574 1.00 35.12 H new ATOM 0 HA GLU A 6 -2.755 -3.639 -8.363 1.00 61.30 H new ATOM 0 HB2 GLU A 6 -5.497 -3.126 -7.161 1.00 10.05 H new ATOM 0 HB3 GLU A 6 -4.219 -1.943 -7.363 1.00 10.05 H new ATOM 0 HG2 GLU A 6 -4.335 -2.305 -9.843 1.00 75.11 H new ATOM 0 HG3 GLU A 6 -5.686 -3.392 -9.591 1.00 75.11 H new ATOM 95 N VAL A 7 -3.923 -5.108 -5.669 1.00 1.31 N ATOM 96 CA VAL A 7 -3.582 -5.510 -4.309 1.00 13.24 C ATOM 97 C VAL A 7 -2.230 -6.213 -4.285 1.00 23.03 C ATOM 98 O VAL A 7 -1.359 -5.880 -3.481 1.00 50.41 O ATOM 99 CB VAL A 7 -4.652 -6.445 -3.704 1.00 52.13 C ATOM 100 CG1 VAL A 7 -4.294 -6.827 -2.275 1.00 75.13 C ATOM 101 CG2 VAL A 7 -6.025 -5.792 -3.754 1.00 53.22 C ATOM 0 H VAL A 7 -4.766 -5.547 -6.038 1.00 1.31 H new ATOM 0 HA VAL A 7 -3.537 -4.603 -3.707 1.00 13.24 H new ATOM 0 HB VAL A 7 -4.682 -7.356 -4.302 1.00 52.13 H new ATOM 0 HG11 VAL A 7 -5.063 -7.486 -1.871 1.00 75.13 H new ATOM 0 HG12 VAL A 7 -3.333 -7.342 -2.266 1.00 75.13 H new ATOM 0 HG13 VAL A 7 -4.229 -5.927 -1.663 1.00 75.13 H new ATOM 0 HG21 VAL A 7 -6.765 -6.467 -3.323 1.00 53.22 H new ATOM 0 HG22 VAL A 7 -6.007 -4.862 -3.185 1.00 53.22 H new ATOM 0 HG23 VAL A 7 -6.289 -5.578 -4.790 1.00 53.22 H new ATOM 111 N ASN A 8 -2.057 -7.170 -5.182 1.00 33.42 N ATOM 112 CA ASN A 8 -0.800 -7.904 -5.285 1.00 3.20 C ATOM 113 C ASN A 8 0.311 -6.983 -5.779 1.00 3.12 C ATOM 114 O ASN A 8 1.459 -7.094 -5.353 1.00 21.43 O ATOM 115 CB ASN A 8 -0.958 -9.107 -6.220 1.00 23.32 C ATOM 116 CG ASN A 8 -2.031 -10.077 -5.755 1.00 53.31 C ATOM 117 OD1 ASN A 8 -2.297 -10.210 -4.559 1.00 12.24 O ATOM 118 ND2 ASN A 8 -2.654 -10.764 -6.699 1.00 3.44 N ATOM 0 H ASN A 8 -2.770 -7.459 -5.851 1.00 33.42 H new ATOM 0 HA ASN A 8 -0.529 -8.272 -4.295 1.00 3.20 H new ATOM 0 HB2 ASN A 8 -1.204 -8.753 -7.221 1.00 23.32 H new ATOM 0 HB3 ASN A 8 -0.006 -9.633 -6.292 1.00 23.32 H new ATOM 0 HD21 ASN A 8 -3.383 -11.432 -6.447 1.00 3.44 H new ATOM 0 HD22 ASN A 8 -2.405 -10.626 -7.679 1.00 3.44 H new ATOM 125 N LEU A 9 -0.038 -6.061 -6.669 1.00 2.40 N ATOM 126 CA LEU A 9 0.896 -5.044 -7.124 1.00 12.54 C ATOM 127 C LEU A 9 1.340 -4.185 -5.947 1.00 62.52 C ATOM 128 O LEU A 9 2.513 -3.847 -5.823 1.00 52.15 O ATOM 129 CB LEU A 9 0.241 -4.172 -8.195 1.00 23.12 C ATOM 130 CG LEU A 9 1.078 -2.990 -8.675 1.00 34.24 C ATOM 131 CD1 LEU A 9 2.340 -3.468 -9.377 1.00 32.40 C ATOM 132 CD2 LEU A 9 0.255 -2.103 -9.593 1.00 64.02 C ATOM 0 H LEU A 9 -0.965 -5.999 -7.090 1.00 2.40 H new ATOM 0 HA LEU A 9 1.770 -5.532 -7.556 1.00 12.54 H new ATOM 0 HB2 LEU A 9 0.001 -4.799 -9.054 1.00 23.12 H new ATOM 0 HB3 LEU A 9 -0.703 -3.793 -7.804 1.00 23.12 H new ATOM 0 HG LEU A 9 1.380 -2.406 -7.806 1.00 34.24 H new ATOM 0 HD11 LEU A 9 2.920 -2.607 -9.710 1.00 32.40 H new ATOM 0 HD12 LEU A 9 2.938 -4.063 -8.686 1.00 32.40 H new ATOM 0 HD13 LEU A 9 2.068 -4.077 -10.239 1.00 32.40 H new ATOM 0 HD21 LEU A 9 0.863 -1.263 -9.929 1.00 64.02 H new ATOM 0 HD22 LEU A 9 -0.075 -2.680 -10.457 1.00 64.02 H new ATOM 0 HD23 LEU A 9 -0.615 -1.728 -9.053 1.00 64.02 H new ATOM 144 N LEU A 10 0.388 -3.862 -5.080 1.00 52.01 N ATOM 145 CA LEU A 10 0.643 -3.063 -3.889 1.00 2.45 C ATOM 146 C LEU A 10 1.719 -3.709 -3.024 1.00 70.21 C ATOM 147 O LEU A 10 2.604 -3.027 -2.505 1.00 2.42 O ATOM 148 CB LEU A 10 -0.658 -2.909 -3.090 1.00 0.03 C ATOM 149 CG LEU A 10 -0.578 -2.057 -1.822 1.00 10.32 C ATOM 150 CD1 LEU A 10 -0.241 -0.614 -2.166 1.00 64.40 C ATOM 151 CD2 LEU A 10 -1.894 -2.135 -1.057 1.00 72.13 C ATOM 0 H LEU A 10 -0.586 -4.148 -5.184 1.00 52.01 H new ATOM 0 HA LEU A 10 1.000 -2.080 -4.194 1.00 2.45 H new ATOM 0 HB2 LEU A 10 -1.413 -2.476 -3.746 1.00 0.03 H new ATOM 0 HB3 LEU A 10 -1.009 -3.903 -2.813 1.00 0.03 H new ATOM 0 HG LEU A 10 0.218 -2.447 -1.188 1.00 10.32 H new ATOM 0 HD11 LEU A 10 -0.189 -0.024 -1.251 1.00 64.40 H new ATOM 0 HD12 LEU A 10 0.721 -0.577 -2.677 1.00 64.40 H new ATOM 0 HD13 LEU A 10 -1.014 -0.205 -2.817 1.00 64.40 H new ATOM 0 HD21 LEU A 10 -1.828 -1.525 -0.156 1.00 72.13 H new ATOM 0 HD22 LEU A 10 -2.703 -1.765 -1.687 1.00 72.13 H new ATOM 0 HD23 LEU A 10 -2.093 -3.170 -0.781 1.00 72.13 H new ATOM 163 N VAL A 11 1.656 -5.029 -2.889 1.00 15.33 N ATOM 164 CA VAL A 11 2.631 -5.751 -2.075 1.00 75.32 C ATOM 165 C VAL A 11 4.016 -5.686 -2.725 1.00 44.12 C ATOM 166 O VAL A 11 5.040 -5.636 -2.036 1.00 2.41 O ATOM 167 CB VAL A 11 2.224 -7.233 -1.820 1.00 1.22 C ATOM 168 CG1 VAL A 11 0.719 -7.373 -1.706 1.00 33.15 C ATOM 169 CG2 VAL A 11 2.775 -8.180 -2.875 1.00 61.53 C ATOM 0 H VAL A 11 0.948 -5.618 -3.327 1.00 15.33 H new ATOM 0 HA VAL A 11 2.660 -5.258 -1.103 1.00 75.32 H new ATOM 0 HB VAL A 11 2.673 -7.520 -0.869 1.00 1.22 H new ATOM 0 HG11 VAL A 11 0.463 -8.418 -1.528 1.00 33.15 H new ATOM 0 HG12 VAL A 11 0.359 -6.765 -0.876 1.00 33.15 H new ATOM 0 HG13 VAL A 11 0.251 -7.037 -2.632 1.00 33.15 H new ATOM 0 HG21 VAL A 11 2.461 -9.199 -2.649 1.00 61.53 H new ATOM 0 HG22 VAL A 11 2.395 -7.893 -3.856 1.00 61.53 H new ATOM 0 HG23 VAL A 11 3.864 -8.128 -2.878 1.00 61.53 H new ATOM 179 N GLU A 12 4.038 -5.667 -4.055 1.00 42.14 N ATOM 180 CA GLU A 12 5.282 -5.548 -4.799 1.00 72.04 C ATOM 181 C GLU A 12 5.832 -4.130 -4.679 1.00 72.34 C ATOM 182 O GLU A 12 7.041 -3.928 -4.546 1.00 71.34 O ATOM 183 CB GLU A 12 5.063 -5.908 -6.270 1.00 54.13 C ATOM 184 CG GLU A 12 4.503 -7.305 -6.480 1.00 23.30 C ATOM 185 CD GLU A 12 4.403 -7.685 -7.943 1.00 11.32 C ATOM 186 OE1 GLU A 12 3.396 -7.332 -8.590 1.00 50.00 O ATOM 187 OE2 GLU A 12 5.329 -8.352 -8.450 1.00 72.23 O ATOM 0 H GLU A 12 3.204 -5.733 -4.638 1.00 42.14 H new ATOM 0 HA GLU A 12 6.007 -6.244 -4.377 1.00 72.04 H new ATOM 0 HB2 GLU A 12 4.382 -5.182 -6.715 1.00 54.13 H new ATOM 0 HB3 GLU A 12 6.011 -5.823 -6.801 1.00 54.13 H new ATOM 0 HG2 GLU A 12 5.137 -8.027 -5.965 1.00 23.30 H new ATOM 0 HG3 GLU A 12 3.514 -7.367 -6.025 1.00 23.30 H new ATOM 194 N GLU A 13 4.931 -3.155 -4.710 1.00 52.54 N ATOM 195 CA GLU A 13 5.298 -1.752 -4.575 1.00 43.22 C ATOM 196 C GLU A 13 5.945 -1.488 -3.224 1.00 71.25 C ATOM 197 O GLU A 13 6.992 -0.855 -3.147 1.00 3.30 O ATOM 198 CB GLU A 13 4.069 -0.859 -4.749 1.00 43.42 C ATOM 199 CG GLU A 13 3.435 -0.965 -6.125 1.00 2.55 C ATOM 200 CD GLU A 13 4.391 -0.582 -7.230 1.00 22.01 C ATOM 201 OE1 GLU A 13 5.223 -1.423 -7.633 1.00 74.11 O ATOM 202 OE2 GLU A 13 4.330 0.564 -7.698 1.00 4.20 O ATOM 0 H GLU A 13 3.931 -3.314 -4.829 1.00 52.54 H new ATOM 0 HA GLU A 13 6.020 -1.516 -5.356 1.00 43.22 H new ATOM 0 HB2 GLU A 13 3.328 -1.123 -3.995 1.00 43.42 H new ATOM 0 HB3 GLU A 13 4.354 0.177 -4.567 1.00 43.42 H new ATOM 0 HG2 GLU A 13 3.089 -1.986 -6.285 1.00 2.55 H new ATOM 0 HG3 GLU A 13 2.557 -0.321 -6.168 1.00 2.55 H new ATOM 209 N ILE A 14 5.324 -1.986 -2.164 1.00 22.12 N ATOM 210 CA ILE A 14 5.871 -1.833 -0.821 1.00 14.03 C ATOM 211 C ILE A 14 7.230 -2.527 -0.711 1.00 53.31 C ATOM 212 O ILE A 14 8.118 -2.072 0.008 1.00 32.32 O ATOM 213 CB ILE A 14 4.902 -2.386 0.249 1.00 54.32 C ATOM 214 CG1 ILE A 14 3.564 -1.646 0.170 1.00 61.12 C ATOM 215 CG2 ILE A 14 5.500 -2.250 1.646 1.00 20.31 C ATOM 216 CD1 ILE A 14 2.520 -2.166 1.130 1.00 40.24 C ATOM 0 H ILE A 14 4.443 -2.498 -2.206 1.00 22.12 H new ATOM 0 HA ILE A 14 6.003 -0.767 -0.638 1.00 14.03 H new ATOM 0 HB ILE A 14 4.737 -3.446 0.053 1.00 54.32 H new ATOM 0 HG12 ILE A 14 3.733 -0.588 0.370 1.00 61.12 H new ATOM 0 HG13 ILE A 14 3.178 -1.721 -0.847 1.00 61.12 H new ATOM 0 HG21 ILE A 14 4.800 -2.646 2.382 1.00 20.31 H new ATOM 0 HG22 ILE A 14 6.435 -2.808 1.698 1.00 20.31 H new ATOM 0 HG23 ILE A 14 5.693 -1.198 1.858 1.00 20.31 H new ATOM 0 HD11 ILE A 14 1.601 -1.592 1.014 1.00 40.24 H new ATOM 0 HD12 ILE A 14 2.321 -3.216 0.917 1.00 40.24 H new ATOM 0 HD13 ILE A 14 2.884 -2.066 2.153 1.00 40.24 H new ATOM 228 N HIS A 15 7.392 -3.625 -1.437 1.00 0.34 N ATOM 229 CA HIS A 15 8.657 -4.353 -1.442 1.00 5.14 C ATOM 230 C HIS A 15 9.774 -3.554 -2.118 1.00 34.22 C ATOM 231 O HIS A 15 10.909 -3.565 -1.647 1.00 70.52 O ATOM 232 CB HIS A 15 8.499 -5.710 -2.134 1.00 33.05 C ATOM 233 CG HIS A 15 8.503 -6.871 -1.186 1.00 41.34 C ATOM 234 ND1 HIS A 15 9.527 -7.789 -1.128 1.00 43.13 N ATOM 235 CD2 HIS A 15 7.596 -7.270 -0.264 1.00 32.42 C ATOM 236 CE1 HIS A 15 9.253 -8.698 -0.214 1.00 52.40 C ATOM 237 NE2 HIS A 15 8.087 -8.410 0.327 1.00 22.42 N ATOM 0 H HIS A 15 6.667 -4.031 -2.029 1.00 0.34 H new ATOM 0 HA HIS A 15 8.938 -4.511 -0.401 1.00 5.14 H new ATOM 0 HB2 HIS A 15 7.566 -5.715 -2.697 1.00 33.05 H new ATOM 0 HB3 HIS A 15 9.307 -5.837 -2.855 1.00 33.05 H new ATOM 0 HD2 HIS A 15 6.660 -6.783 -0.035 1.00 32.42 H new ATOM 0 HE1 HIS A 15 9.879 -9.538 0.048 1.00 52.40 H new ATOM 0 HE2 HIS A 15 7.625 -8.944 1.063 1.00 22.42 H new ATOM 246 N ARG A 16 9.461 -2.866 -3.214 1.00 61.31 N ATOM 247 CA ARG A 16 10.483 -2.133 -3.960 1.00 24.12 C ATOM 248 C ARG A 16 10.679 -0.716 -3.412 1.00 14.34 C ATOM 249 O ARG A 16 11.806 -0.237 -3.299 1.00 13.41 O ATOM 250 CB ARG A 16 10.140 -2.073 -5.458 1.00 63.43 C ATOM 251 CG ARG A 16 8.862 -1.309 -5.775 1.00 32.34 C ATOM 252 CD ARG A 16 8.746 -0.994 -7.257 1.00 43.52 C ATOM 253 NE ARG A 16 7.590 -0.144 -7.539 1.00 44.01 N ATOM 254 CZ ARG A 16 7.676 1.144 -7.877 1.00 53.25 C ATOM 255 NH1 ARG A 16 8.865 1.711 -8.027 1.00 13.24 N ATOM 256 NH2 ARG A 16 6.572 1.855 -8.070 1.00 25.54 N ATOM 0 H ARG A 16 8.520 -2.800 -3.602 1.00 61.31 H new ATOM 0 HA ARG A 16 11.419 -2.678 -3.835 1.00 24.12 H new ATOM 0 HB2 ARG A 16 10.970 -1.608 -5.991 1.00 63.43 H new ATOM 0 HB3 ARG A 16 10.046 -3.090 -5.839 1.00 63.43 H new ATOM 0 HG2 ARG A 16 8.000 -1.896 -5.460 1.00 32.34 H new ATOM 0 HG3 ARG A 16 8.842 -0.381 -5.203 1.00 32.34 H new ATOM 0 HD2 ARG A 16 9.655 -0.497 -7.596 1.00 43.52 H new ATOM 0 HD3 ARG A 16 8.661 -1.923 -7.821 1.00 43.52 H new ATOM 0 HE ARG A 16 6.661 -0.561 -7.473 1.00 44.01 H new ATOM 0 HH11 ARG A 16 9.713 1.163 -7.884 1.00 13.24 H new ATOM 0 HH12 ARG A 16 8.932 2.695 -8.285 1.00 13.24 H new ATOM 0 HH21 ARG A 16 5.657 1.417 -7.960 1.00 25.54 H new ATOM 0 HH22 ARG A 16 6.638 2.840 -8.328 1.00 25.54 H new ATOM 270 N LEU A 17 9.581 -0.055 -3.073 1.00 23.21 N ATOM 271 CA LEU A 17 9.617 1.345 -2.675 1.00 1.34 C ATOM 272 C LEU A 17 9.792 1.489 -1.171 1.00 72.14 C ATOM 273 O LEU A 17 10.285 2.510 -0.686 1.00 20.40 O ATOM 274 CB LEU A 17 8.320 2.024 -3.108 1.00 74.42 C ATOM 275 CG LEU A 17 8.484 3.395 -3.756 1.00 44.34 C ATOM 276 CD1 LEU A 17 9.406 3.296 -4.961 1.00 5.51 C ATOM 277 CD2 LEU A 17 7.126 3.935 -4.167 1.00 61.31 C ATOM 0 H LEU A 17 8.649 -0.469 -3.066 1.00 23.21 H new ATOM 0 HA LEU A 17 10.470 1.819 -3.160 1.00 1.34 H new ATOM 0 HB2 LEU A 17 7.803 1.369 -3.809 1.00 74.42 H new ATOM 0 HB3 LEU A 17 7.675 2.128 -2.235 1.00 74.42 H new ATOM 0 HG LEU A 17 8.930 4.081 -3.036 1.00 44.34 H new ATOM 0 HD11 LEU A 17 9.516 4.280 -5.416 1.00 5.51 H new ATOM 0 HD12 LEU A 17 10.383 2.932 -4.643 1.00 5.51 H new ATOM 0 HD13 LEU A 17 8.981 2.605 -5.689 1.00 5.51 H new ATOM 0 HD21 LEU A 17 7.249 4.914 -4.629 1.00 61.31 H new ATOM 0 HD22 LEU A 17 6.664 3.252 -4.880 1.00 61.31 H new ATOM 0 HD23 LEU A 17 6.489 4.026 -3.287 1.00 61.31 H new ATOM 289 N GLY A 18 9.379 0.469 -0.440 1.00 42.42 N ATOM 290 CA GLY A 18 9.465 0.510 0.999 1.00 4.42 C ATOM 291 C GLY A 18 10.769 -0.059 1.504 1.00 74.35 C ATOM 292 O GLY A 18 11.647 -0.422 0.716 1.00 72.04 O ATOM 0 H GLY A 18 8.984 -0.391 -0.821 1.00 42.42 H new ATOM 0 HA2 GLY A 18 9.363 1.541 1.339 1.00 4.42 H new ATOM 0 HA3 GLY A 18 8.634 -0.051 1.428 1.00 4.42 H new ATOM 296 N SER A 19 10.894 -0.141 2.812 1.00 43.11 N ATOM 297 CA SER A 19 12.106 -0.632 3.438 1.00 42.32 C ATOM 298 C SER A 19 11.768 -1.718 4.445 1.00 41.22 C ATOM 299 O SER A 19 10.643 -1.784 4.945 1.00 21.14 O ATOM 300 CB SER A 19 12.838 0.527 4.129 1.00 1.40 C ATOM 301 OG SER A 19 14.054 0.102 4.727 1.00 2.35 O ATOM 0 H SER A 19 10.163 0.129 3.470 1.00 43.11 H new ATOM 0 HA SER A 19 12.758 -1.057 2.674 1.00 42.32 H new ATOM 0 HB2 SER A 19 13.046 1.311 3.401 1.00 1.40 H new ATOM 0 HB3 SER A 19 12.191 0.963 4.891 1.00 1.40 H new ATOM 0 HG SER A 19 14.493 0.867 5.156 1.00 2.35 H new ATOM 307 N LYS A 20 12.733 -2.583 4.722 1.00 64.35 N ATOM 308 CA LYS A 20 12.584 -3.555 5.789 1.00 71.42 C ATOM 309 C LYS A 20 12.795 -2.889 7.120 1.00 1.34 C ATOM 310 O LYS A 20 13.681 -2.050 7.286 1.00 63.41 O ATOM 311 CB LYS A 20 13.557 -4.713 5.666 1.00 24.12 C ATOM 312 CG LYS A 20 13.238 -5.651 4.531 1.00 30.20 C ATOM 313 CD LYS A 20 12.286 -6.769 4.933 1.00 12.43 C ATOM 314 CE LYS A 20 12.948 -7.743 5.898 1.00 31.11 C ATOM 315 NZ LYS A 20 12.219 -9.039 5.975 1.00 2.52 N ATOM 0 H LYS A 20 13.622 -2.630 4.224 1.00 64.35 H new ATOM 0 HA LYS A 20 11.573 -3.955 5.710 1.00 71.42 H new ATOM 0 HB2 LYS A 20 14.563 -4.318 5.528 1.00 24.12 H new ATOM 0 HB3 LYS A 20 13.561 -5.274 6.600 1.00 24.12 H new ATOM 0 HG2 LYS A 20 12.798 -5.084 3.711 1.00 30.20 H new ATOM 0 HG3 LYS A 20 14.164 -6.087 4.156 1.00 30.20 H new ATOM 0 HD2 LYS A 20 11.397 -6.342 5.397 1.00 12.43 H new ATOM 0 HD3 LYS A 20 11.955 -7.305 4.043 1.00 12.43 H new ATOM 0 HE2 LYS A 20 13.975 -7.924 5.582 1.00 31.11 H new ATOM 0 HE3 LYS A 20 12.994 -7.294 6.890 1.00 31.11 H new ATOM 0 HZ1 LYS A 20 12.899 -9.812 6.123 1.00 2.52 H new ATOM 0 HZ2 LYS A 20 11.547 -9.013 6.768 1.00 2.52 H new ATOM 0 HZ3 LYS A 20 11.701 -9.199 5.088 1.00 2.52 H new ATOM 329 N ASN A 21 11.950 -3.248 8.039 1.00 12.34 N ATOM 330 CA ASN A 21 12.011 -2.708 9.386 1.00 12.12 C ATOM 331 C ASN A 21 12.927 -3.559 10.244 1.00 41.34 C ATOM 332 O ASN A 21 13.262 -4.687 9.876 1.00 1.02 O ATOM 333 CB ASN A 21 10.620 -2.681 10.029 1.00 1.14 C ATOM 334 CG ASN A 21 9.607 -1.868 9.256 1.00 4.10 C ATOM 335 OD1 ASN A 21 9.945 -0.885 8.596 1.00 61.14 O ATOM 336 ND2 ASN A 21 8.353 -2.279 9.338 1.00 12.11 N ATOM 0 H ASN A 21 11.198 -3.920 7.889 1.00 12.34 H new ATOM 0 HA ASN A 21 12.395 -1.690 9.322 1.00 12.12 H new ATOM 0 HB2 ASN A 21 10.254 -3.703 10.125 1.00 1.14 H new ATOM 0 HB3 ASN A 21 10.704 -2.276 11.038 1.00 1.14 H new ATOM 0 HD21 ASN A 21 7.618 -1.776 8.842 1.00 12.11 H new ATOM 0 HD22 ASN A 21 8.121 -3.100 9.898 1.00 12.11 H new ATOM 343 N ALA A 22 13.313 -3.029 11.396 1.00 55.33 N ATOM 344 CA ALA A 22 13.973 -3.830 12.420 1.00 53.14 C ATOM 345 C ALA A 22 12.985 -4.859 12.956 1.00 75.42 C ATOM 346 O ALA A 22 13.352 -5.824 13.628 1.00 42.23 O ATOM 347 CB ALA A 22 14.482 -2.940 13.541 1.00 71.32 C ATOM 0 H ALA A 22 13.181 -2.049 11.646 1.00 55.33 H new ATOM 0 HA ALA A 22 14.830 -4.345 11.986 1.00 53.14 H new ATOM 0 HB1 ALA A 22 14.972 -3.552 14.298 1.00 71.32 H new ATOM 0 HB2 ALA A 22 15.195 -2.220 13.139 1.00 71.32 H new ATOM 0 HB3 ALA A 22 13.644 -2.408 13.992 1.00 71.32 H new ATOM 353 N ASP A 23 11.721 -4.622 12.624 1.00 51.35 N ATOM 354 CA ASP A 23 10.620 -5.511 12.955 1.00 45.44 C ATOM 355 C ASP A 23 10.583 -6.712 12.003 1.00 23.11 C ATOM 356 O ASP A 23 9.983 -7.742 12.309 1.00 0.40 O ATOM 357 CB ASP A 23 9.316 -4.704 12.875 1.00 44.40 C ATOM 358 CG ASP A 23 8.090 -5.544 12.600 1.00 0.22 C ATOM 359 OD1 ASP A 23 7.447 -6.009 13.562 1.00 32.03 O ATOM 360 OD2 ASP A 23 7.748 -5.717 11.415 1.00 65.32 O ATOM 0 H ASP A 23 11.430 -3.791 12.108 1.00 51.35 H new ATOM 0 HA ASP A 23 10.749 -5.907 13.962 1.00 45.44 H new ATOM 0 HB2 ASP A 23 9.174 -4.168 13.814 1.00 44.40 H new ATOM 0 HB3 ASP A 23 9.413 -3.953 12.091 1.00 44.40 H new ATOM 365 N GLY A 24 11.258 -6.588 10.862 1.00 72.45 N ATOM 366 CA GLY A 24 11.357 -7.701 9.937 1.00 44.34 C ATOM 367 C GLY A 24 10.312 -7.669 8.837 1.00 73.54 C ATOM 368 O GLY A 24 10.308 -8.533 7.960 1.00 61.10 O ATOM 0 H GLY A 24 11.736 -5.738 10.564 1.00 72.45 H new ATOM 0 HA2 GLY A 24 12.349 -7.700 9.485 1.00 44.34 H new ATOM 0 HA3 GLY A 24 11.260 -8.634 10.492 1.00 44.34 H new ATOM 372 N LYS A 25 9.428 -6.681 8.862 1.00 64.41 N ATOM 373 CA LYS A 25 8.428 -6.543 7.810 1.00 1.14 C ATOM 374 C LYS A 25 8.696 -5.294 6.977 1.00 51.33 C ATOM 375 O LYS A 25 9.525 -4.463 7.345 1.00 72.30 O ATOM 376 CB LYS A 25 7.016 -6.498 8.395 1.00 60.10 C ATOM 377 CG LYS A 25 6.651 -7.740 9.193 1.00 2.14 C ATOM 378 CD LYS A 25 5.157 -7.816 9.480 1.00 11.30 C ATOM 379 CE LYS A 25 4.695 -6.697 10.400 1.00 63.12 C ATOM 380 NZ LYS A 25 5.362 -6.762 11.723 1.00 62.51 N ATOM 0 H LYS A 25 9.382 -5.969 9.591 1.00 64.41 H new ATOM 0 HA LYS A 25 8.500 -7.417 7.163 1.00 1.14 H new ATOM 0 HB2 LYS A 25 6.925 -5.623 9.038 1.00 60.10 H new ATOM 0 HB3 LYS A 25 6.299 -6.373 7.584 1.00 60.10 H new ATOM 0 HG2 LYS A 25 6.960 -8.628 8.642 1.00 2.14 H new ATOM 0 HG3 LYS A 25 7.201 -7.741 10.134 1.00 2.14 H new ATOM 0 HD2 LYS A 25 4.605 -7.765 8.542 1.00 11.30 H new ATOM 0 HD3 LYS A 25 4.924 -8.779 9.935 1.00 11.30 H new ATOM 0 HE2 LYS A 25 4.904 -5.734 9.934 1.00 63.12 H new ATOM 0 HE3 LYS A 25 3.615 -6.759 10.534 1.00 63.12 H new ATOM 0 HZ1 LYS A 25 5.009 -5.993 12.328 1.00 62.51 H new ATOM 0 HZ2 LYS A 25 5.156 -7.678 12.171 1.00 62.51 H new ATOM 0 HZ3 LYS A 25 6.390 -6.661 11.599 1.00 62.51 H new ATOM 394 N LEU A 26 8.010 -5.187 5.844 1.00 35.33 N ATOM 395 CA LEU A 26 8.161 -4.049 4.949 1.00 52.13 C ATOM 396 C LEU A 26 7.267 -2.900 5.374 1.00 55.44 C ATOM 397 O LEU A 26 6.139 -3.106 5.823 1.00 73.00 O ATOM 398 CB LEU A 26 7.811 -4.450 3.510 1.00 51.35 C ATOM 399 CG LEU A 26 8.813 -5.350 2.781 1.00 73.44 C ATOM 400 CD1 LEU A 26 10.172 -4.679 2.688 1.00 4.14 C ATOM 401 CD2 LEU A 26 8.927 -6.717 3.443 1.00 11.31 C ATOM 0 H LEU A 26 7.338 -5.883 5.523 1.00 35.33 H new ATOM 0 HA LEU A 26 9.201 -3.727 4.997 1.00 52.13 H new ATOM 0 HB2 LEU A 26 6.846 -4.957 3.524 1.00 51.35 H new ATOM 0 HB3 LEU A 26 7.684 -3.539 2.925 1.00 51.35 H new ATOM 0 HG LEU A 26 8.437 -5.507 1.770 1.00 73.44 H new ATOM 0 HD11 LEU A 26 10.868 -5.337 2.166 1.00 4.14 H new ATOM 0 HD12 LEU A 26 10.078 -3.742 2.140 1.00 4.14 H new ATOM 0 HD13 LEU A 26 10.547 -4.476 3.691 1.00 4.14 H new ATOM 0 HD21 LEU A 26 9.647 -7.327 2.897 1.00 11.31 H new ATOM 0 HD22 LEU A 26 9.261 -6.596 4.473 1.00 11.31 H new ATOM 0 HD23 LEU A 26 7.954 -7.208 3.433 1.00 11.31 H new ATOM 413 N SER A 27 7.785 -1.694 5.261 1.00 32.41 N ATOM 414 CA SER A 27 6.995 -0.504 5.495 1.00 41.02 C ATOM 415 C SER A 27 7.419 0.612 4.548 1.00 2.21 C ATOM 416 O SER A 27 8.587 0.697 4.163 1.00 33.25 O ATOM 417 CB SER A 27 7.112 -0.069 6.952 1.00 3.13 C ATOM 418 OG SER A 27 6.563 -1.058 7.802 1.00 10.32 O ATOM 0 H SER A 27 8.756 -1.512 5.007 1.00 32.41 H new ATOM 0 HA SER A 27 5.948 -0.731 5.295 1.00 41.02 H new ATOM 0 HB2 SER A 27 8.159 0.099 7.206 1.00 3.13 H new ATOM 0 HB3 SER A 27 6.592 0.877 7.100 1.00 3.13 H new ATOM 0 HG SER A 27 6.275 -1.826 7.266 1.00 10.32 H new ATOM 424 N VAL A 28 6.460 1.437 4.158 1.00 70.40 N ATOM 425 CA VAL A 28 6.715 2.542 3.248 1.00 33.01 C ATOM 426 C VAL A 28 5.820 3.725 3.606 1.00 15.52 C ATOM 427 O VAL A 28 4.693 3.536 4.065 1.00 0.50 O ATOM 428 CB VAL A 28 6.481 2.122 1.773 1.00 10.41 C ATOM 429 CG1 VAL A 28 5.039 1.683 1.545 1.00 11.25 C ATOM 430 CG2 VAL A 28 6.861 3.244 0.815 1.00 22.12 C ATOM 0 H VAL A 28 5.489 1.360 4.461 1.00 70.40 H new ATOM 0 HA VAL A 28 7.760 2.834 3.351 1.00 33.01 H new ATOM 0 HB VAL A 28 7.128 1.269 1.569 1.00 10.41 H new ATOM 0 HG11 VAL A 28 4.907 1.395 0.502 1.00 11.25 H new ATOM 0 HG12 VAL A 28 4.812 0.833 2.188 1.00 11.25 H new ATOM 0 HG13 VAL A 28 4.366 2.507 1.782 1.00 11.25 H new ATOM 0 HG21 VAL A 28 6.686 2.921 -0.211 1.00 22.12 H new ATOM 0 HG22 VAL A 28 6.254 4.124 1.027 1.00 22.12 H new ATOM 0 HG23 VAL A 28 7.915 3.491 0.943 1.00 22.12 H new ATOM 440 N LYS A 29 6.327 4.935 3.425 1.00 71.11 N ATOM 441 CA LYS A 29 5.549 6.130 3.718 1.00 52.10 C ATOM 442 C LYS A 29 4.451 6.323 2.688 1.00 63.13 C ATOM 443 O LYS A 29 4.634 6.041 1.500 1.00 25.53 O ATOM 444 CB LYS A 29 6.440 7.373 3.735 1.00 33.11 C ATOM 445 CG LYS A 29 7.537 7.345 4.782 1.00 50.41 C ATOM 446 CD LYS A 29 7.007 7.623 6.180 1.00 55.13 C ATOM 447 CE LYS A 29 8.144 7.706 7.187 1.00 34.24 C ATOM 448 NZ LYS A 29 7.654 7.948 8.569 1.00 75.24 N ATOM 0 H LYS A 29 7.269 5.116 3.078 1.00 71.11 H new ATOM 0 HA LYS A 29 5.103 5.995 4.703 1.00 52.10 H new ATOM 0 HB2 LYS A 29 6.896 7.491 2.752 1.00 33.11 H new ATOM 0 HB3 LYS A 29 5.815 8.250 3.904 1.00 33.11 H new ATOM 0 HG2 LYS A 29 8.025 6.370 4.768 1.00 50.41 H new ATOM 0 HG3 LYS A 29 8.296 8.085 4.530 1.00 50.41 H new ATOM 0 HD2 LYS A 29 6.446 8.558 6.181 1.00 55.13 H new ATOM 0 HD3 LYS A 29 6.313 6.835 6.473 1.00 55.13 H new ATOM 0 HE2 LYS A 29 8.716 6.779 7.164 1.00 34.24 H new ATOM 0 HE3 LYS A 29 8.824 8.508 6.899 1.00 34.24 H new ATOM 0 HZ1 LYS A 29 8.421 7.763 9.247 1.00 75.24 H new ATOM 0 HZ2 LYS A 29 7.343 8.936 8.659 1.00 75.24 H new ATOM 0 HZ3 LYS A 29 6.855 7.314 8.770 1.00 75.24 H new ATOM 462 N PHE A 30 3.322 6.820 3.157 1.00 73.41 N ATOM 463 CA PHE A 30 2.173 7.069 2.297 1.00 22.04 C ATOM 464 C PHE A 30 2.522 8.126 1.255 1.00 23.05 C ATOM 465 O PHE A 30 2.171 7.994 0.084 1.00 3.11 O ATOM 466 CB PHE A 30 0.974 7.518 3.144 1.00 64.10 C ATOM 467 CG PHE A 30 -0.364 7.402 2.457 1.00 41.52 C ATOM 468 CD1 PHE A 30 -0.475 6.823 1.202 1.00 21.35 C ATOM 469 CD2 PHE A 30 -1.514 7.871 3.075 1.00 3.53 C ATOM 470 CE1 PHE A 30 -1.702 6.717 0.578 1.00 5.03 C ATOM 471 CE2 PHE A 30 -2.744 7.768 2.455 1.00 10.24 C ATOM 472 CZ PHE A 30 -2.839 7.191 1.205 1.00 23.11 C ATOM 0 H PHE A 30 3.172 7.062 4.137 1.00 73.41 H new ATOM 0 HA PHE A 30 1.906 6.148 1.779 1.00 22.04 H new ATOM 0 HB2 PHE A 30 0.950 6.925 4.058 1.00 64.10 H new ATOM 0 HB3 PHE A 30 1.125 8.556 3.441 1.00 64.10 H new ATOM 0 HD1 PHE A 30 0.409 6.450 0.706 1.00 21.35 H new ATOM 0 HD2 PHE A 30 -1.447 8.323 4.054 1.00 3.53 H new ATOM 0 HE1 PHE A 30 -1.773 6.264 -0.400 1.00 5.03 H new ATOM 0 HE2 PHE A 30 -3.631 8.139 2.948 1.00 10.24 H new ATOM 0 HZ PHE A 30 -3.799 7.110 0.718 1.00 23.11 H new ATOM 482 N GLY A 31 3.243 9.159 1.685 1.00 54.05 N ATOM 483 CA GLY A 31 3.656 10.208 0.772 1.00 1.52 C ATOM 484 C GLY A 31 4.558 9.693 -0.334 1.00 10.23 C ATOM 485 O GLY A 31 4.494 10.168 -1.465 1.00 51.42 O ATOM 0 H GLY A 31 3.548 9.287 2.650 1.00 54.05 H new ATOM 0 HA2 GLY A 31 2.773 10.670 0.331 1.00 1.52 H new ATOM 0 HA3 GLY A 31 4.178 10.986 1.329 1.00 1.52 H new ATOM 489 N VAL A 32 5.384 8.704 -0.011 1.00 44.33 N ATOM 490 CA VAL A 32 6.309 8.129 -0.981 1.00 22.14 C ATOM 491 C VAL A 32 5.561 7.281 -2.005 1.00 43.01 C ATOM 492 O VAL A 32 5.738 7.450 -3.214 1.00 52.24 O ATOM 493 CB VAL A 32 7.388 7.262 -0.292 1.00 75.24 C ATOM 494 CG1 VAL A 32 8.323 6.640 -1.321 1.00 0.53 C ATOM 495 CG2 VAL A 32 8.171 8.087 0.717 1.00 44.00 C ATOM 0 H VAL A 32 5.432 8.283 0.917 1.00 44.33 H new ATOM 0 HA VAL A 32 6.800 8.960 -1.487 1.00 22.14 H new ATOM 0 HB VAL A 32 6.887 6.454 0.240 1.00 75.24 H new ATOM 0 HG11 VAL A 32 9.073 6.035 -0.812 1.00 0.53 H new ATOM 0 HG12 VAL A 32 7.749 6.010 -2.001 1.00 0.53 H new ATOM 0 HG13 VAL A 32 8.817 7.429 -1.888 1.00 0.53 H new ATOM 0 HG21 VAL A 32 8.926 7.460 1.192 1.00 44.00 H new ATOM 0 HG22 VAL A 32 8.658 8.919 0.208 1.00 44.00 H new ATOM 0 HG23 VAL A 32 7.491 8.474 1.476 1.00 44.00 H new ATOM 505 N LEU A 33 4.714 6.388 -1.512 1.00 1.13 N ATOM 506 CA LEU A 33 3.948 5.497 -2.374 1.00 51.40 C ATOM 507 C LEU A 33 3.033 6.316 -3.282 1.00 34.52 C ATOM 508 O LEU A 33 2.976 6.095 -4.493 1.00 61.05 O ATOM 509 CB LEU A 33 3.131 4.523 -1.508 1.00 62.51 C ATOM 510 CG LEU A 33 2.650 3.237 -2.197 1.00 34.43 C ATOM 511 CD1 LEU A 33 2.184 2.232 -1.157 1.00 64.25 C ATOM 512 CD2 LEU A 33 1.522 3.520 -3.178 1.00 21.34 C ATOM 0 H LEU A 33 4.539 6.261 -0.515 1.00 1.13 H new ATOM 0 HA LEU A 33 4.626 4.920 -3.002 1.00 51.40 H new ATOM 0 HB2 LEU A 33 3.736 4.243 -0.645 1.00 62.51 H new ATOM 0 HB3 LEU A 33 2.258 5.054 -1.127 1.00 62.51 H new ATOM 0 HG LEU A 33 3.490 2.824 -2.755 1.00 34.43 H new ATOM 0 HD11 LEU A 33 1.845 1.324 -1.655 1.00 64.25 H new ATOM 0 HD12 LEU A 33 3.010 1.992 -0.487 1.00 64.25 H new ATOM 0 HD13 LEU A 33 1.362 2.658 -0.581 1.00 64.25 H new ATOM 0 HD21 LEU A 33 1.206 2.588 -3.647 1.00 21.34 H new ATOM 0 HD22 LEU A 33 0.680 3.962 -2.646 1.00 21.34 H new ATOM 0 HD23 LEU A 33 1.871 4.212 -3.944 1.00 21.34 H new ATOM 524 N PHE A 34 2.357 7.290 -2.687 1.00 24.42 N ATOM 525 CA PHE A 34 1.434 8.148 -3.416 1.00 12.03 C ATOM 526 C PHE A 34 2.177 8.989 -4.454 1.00 32.55 C ATOM 527 O PHE A 34 1.644 9.286 -5.519 1.00 33.22 O ATOM 528 CB PHE A 34 0.683 9.050 -2.430 1.00 31.43 C ATOM 529 CG PHE A 34 -0.358 9.928 -3.062 1.00 75.52 C ATOM 530 CD1 PHE A 34 -1.533 9.387 -3.555 1.00 64.53 C ATOM 531 CD2 PHE A 34 -0.166 11.298 -3.149 1.00 42.20 C ATOM 532 CE1 PHE A 34 -2.497 10.195 -4.125 1.00 24.53 C ATOM 533 CE2 PHE A 34 -1.126 12.111 -3.719 1.00 50.34 C ATOM 534 CZ PHE A 34 -2.293 11.558 -4.208 1.00 23.23 C ATOM 0 H PHE A 34 2.432 7.506 -1.693 1.00 24.42 H new ATOM 0 HA PHE A 34 0.716 7.522 -3.946 1.00 12.03 H new ATOM 0 HB2 PHE A 34 0.204 8.425 -1.676 1.00 31.43 H new ATOM 0 HB3 PHE A 34 1.405 9.680 -1.910 1.00 31.43 H new ATOM 0 HD1 PHE A 34 -1.698 8.321 -3.493 1.00 64.53 H new ATOM 0 HD2 PHE A 34 0.745 11.735 -2.767 1.00 42.20 H new ATOM 0 HE1 PHE A 34 -3.410 9.761 -4.506 1.00 24.53 H new ATOM 0 HE2 PHE A 34 -0.964 13.177 -3.782 1.00 50.34 H new ATOM 0 HZ PHE A 34 -3.045 12.191 -4.655 1.00 23.23 H new ATOM 544 N ARG A 35 3.417 9.358 -4.144 1.00 42.31 N ATOM 545 CA ARG A 35 4.220 10.179 -5.042 1.00 32.42 C ATOM 546 C ARG A 35 4.558 9.432 -6.331 1.00 0.24 C ATOM 547 O ARG A 35 4.443 9.988 -7.424 1.00 13.13 O ATOM 548 CB ARG A 35 5.502 10.642 -4.344 1.00 11.00 C ATOM 549 CG ARG A 35 6.459 11.404 -5.248 1.00 23.44 C ATOM 550 CD ARG A 35 7.573 12.058 -4.447 1.00 34.12 C ATOM 551 NE ARG A 35 8.633 12.590 -5.302 1.00 31.24 N ATOM 552 CZ ARG A 35 8.668 13.836 -5.771 1.00 21.53 C ATOM 553 NH1 ARG A 35 7.671 14.679 -5.532 1.00 44.52 N ATOM 554 NH2 ARG A 35 9.708 14.233 -6.488 1.00 3.30 N ATOM 0 H ARG A 35 3.887 9.100 -3.276 1.00 42.31 H new ATOM 0 HA ARG A 35 3.627 11.054 -5.308 1.00 32.42 H new ATOM 0 HB2 ARG A 35 5.234 11.276 -3.499 1.00 11.00 H new ATOM 0 HB3 ARG A 35 6.017 9.771 -3.939 1.00 11.00 H new ATOM 0 HG2 ARG A 35 6.888 10.723 -5.983 1.00 23.44 H new ATOM 0 HG3 ARG A 35 5.911 12.166 -5.802 1.00 23.44 H new ATOM 0 HD2 ARG A 35 7.158 12.865 -3.843 1.00 34.12 H new ATOM 0 HD3 ARG A 35 7.998 11.329 -3.757 1.00 34.12 H new ATOM 0 HE ARG A 35 9.397 11.965 -5.557 1.00 31.24 H new ATOM 0 HH11 ARG A 35 6.866 14.375 -4.984 1.00 44.52 H new ATOM 0 HH12 ARG A 35 7.709 15.631 -5.897 1.00 44.52 H new ATOM 0 HH21 ARG A 35 10.474 13.586 -6.677 1.00 3.30 H new ATOM 0 HH22 ARG A 35 9.743 15.185 -6.851 1.00 3.30 H new ATOM 568 N ASP A 36 4.977 8.179 -6.206 1.00 35.32 N ATOM 569 CA ASP A 36 5.324 7.386 -7.383 1.00 62.10 C ATOM 570 C ASP A 36 4.070 7.034 -8.173 1.00 13.12 C ATOM 571 O ASP A 36 4.080 7.028 -9.405 1.00 74.15 O ATOM 572 CB ASP A 36 6.079 6.115 -6.996 1.00 12.44 C ATOM 573 CG ASP A 36 6.743 5.458 -8.194 1.00 15.23 C ATOM 574 OD1 ASP A 36 7.776 5.984 -8.665 1.00 42.32 O ATOM 575 OD2 ASP A 36 6.253 4.414 -8.663 1.00 21.32 O ATOM 0 H ASP A 36 5.085 7.693 -5.315 1.00 35.32 H new ATOM 0 HA ASP A 36 5.981 7.989 -8.010 1.00 62.10 H new ATOM 0 HB2 ASP A 36 6.836 6.356 -6.250 1.00 12.44 H new ATOM 0 HB3 ASP A 36 5.388 5.410 -6.533 1.00 12.44 H new ATOM 580 N ASP A 37 2.980 6.768 -7.460 1.00 33.22 N ATOM 581 CA ASP A 37 1.703 6.488 -8.108 1.00 0.13 C ATOM 582 C ASP A 37 1.205 7.715 -8.858 1.00 51.34 C ATOM 583 O ASP A 37 0.664 7.606 -9.950 1.00 23.23 O ATOM 584 CB ASP A 37 0.649 6.031 -7.099 1.00 31.34 C ATOM 585 CG ASP A 37 -0.686 5.760 -7.766 1.00 2.33 C ATOM 586 OD1 ASP A 37 -0.792 4.759 -8.508 1.00 54.22 O ATOM 587 OD2 ASP A 37 -1.629 6.551 -7.563 1.00 20.10 O ATOM 0 H ASP A 37 2.955 6.740 -6.441 1.00 33.22 H new ATOM 0 HA ASP A 37 1.867 5.677 -8.817 1.00 0.13 H new ATOM 0 HB2 ASP A 37 0.994 5.128 -6.596 1.00 31.34 H new ATOM 0 HB3 ASP A 37 0.524 6.795 -6.332 1.00 31.34 H new ATOM 592 N LYS A 38 1.415 8.889 -8.281 1.00 52.33 N ATOM 593 CA LYS A 38 1.064 10.140 -8.947 1.00 61.33 C ATOM 594 C LYS A 38 1.903 10.356 -10.205 1.00 21.04 C ATOM 595 O LYS A 38 1.573 11.187 -11.047 1.00 64.21 O ATOM 596 CB LYS A 38 1.241 11.324 -7.995 1.00 62.34 C ATOM 597 CG LYS A 38 0.043 11.565 -7.094 1.00 74.03 C ATOM 598 CD LYS A 38 -1.183 11.949 -7.905 1.00 43.53 C ATOM 599 CE LYS A 38 -0.930 13.202 -8.726 1.00 22.04 C ATOM 600 NZ LYS A 38 -2.042 13.490 -9.664 1.00 63.24 N ATOM 0 H LYS A 38 1.826 9.004 -7.355 1.00 52.33 H new ATOM 0 HA LYS A 38 0.017 10.072 -9.242 1.00 61.33 H new ATOM 0 HB2 LYS A 38 2.122 11.153 -7.376 1.00 62.34 H new ATOM 0 HB3 LYS A 38 1.432 12.224 -8.580 1.00 62.34 H new ATOM 0 HG2 LYS A 38 -0.167 10.666 -6.515 1.00 74.03 H new ATOM 0 HG3 LYS A 38 0.274 12.356 -6.381 1.00 74.03 H new ATOM 0 HD2 LYS A 38 -1.456 11.127 -8.567 1.00 43.53 H new ATOM 0 HD3 LYS A 38 -2.027 12.114 -7.236 1.00 43.53 H new ATOM 0 HE2 LYS A 38 -0.792 14.051 -8.057 1.00 22.04 H new ATOM 0 HE3 LYS A 38 -0.003 13.085 -9.288 1.00 22.04 H new ATOM 0 HZ1 LYS A 38 -1.827 14.353 -10.203 1.00 63.24 H new ATOM 0 HZ2 LYS A 38 -2.158 12.692 -10.320 1.00 63.24 H new ATOM 0 HZ3 LYS A 38 -2.922 13.628 -9.127 1.00 63.24 H new ATOM 614 N SER A 39 2.993 9.612 -10.318 1.00 4.44 N ATOM 615 CA SER A 39 3.865 9.712 -11.474 1.00 44.34 C ATOM 616 C SER A 39 3.400 8.779 -12.593 1.00 11.23 C ATOM 617 O SER A 39 3.283 9.193 -13.745 1.00 44.31 O ATOM 618 CB SER A 39 5.308 9.386 -11.067 1.00 44.31 C ATOM 619 OG SER A 39 6.203 9.494 -12.162 1.00 35.33 O ATOM 0 H SER A 39 3.294 8.931 -9.620 1.00 4.44 H new ATOM 0 HA SER A 39 3.824 10.733 -11.852 1.00 44.34 H new ATOM 0 HB2 SER A 39 5.623 10.063 -10.273 1.00 44.31 H new ATOM 0 HB3 SER A 39 5.351 8.375 -10.661 1.00 44.31 H new ATOM 0 HG SER A 39 7.112 9.281 -11.864 1.00 35.33 H new ATOM 625 N ALA A 40 3.108 7.529 -12.246 1.00 33.34 N ATOM 626 CA ALA A 40 2.820 6.511 -13.255 1.00 0.11 C ATOM 627 C ALA A 40 1.332 6.186 -13.362 1.00 61.01 C ATOM 628 O ALA A 40 0.901 5.579 -14.345 1.00 61.44 O ATOM 629 CB ALA A 40 3.602 5.247 -12.946 1.00 33.42 C ATOM 0 H ALA A 40 3.064 7.197 -11.283 1.00 33.34 H new ATOM 0 HA ALA A 40 3.127 6.919 -14.218 1.00 0.11 H new ATOM 0 HB1 ALA A 40 3.384 4.491 -13.700 1.00 33.42 H new ATOM 0 HB2 ALA A 40 4.669 5.469 -12.952 1.00 33.42 H new ATOM 0 HB3 ALA A 40 3.315 4.872 -11.964 1.00 33.42 H new ATOM 635 N ASN A 41 0.559 6.592 -12.360 1.00 32.20 N ATOM 636 CA ASN A 41 -0.856 6.224 -12.263 1.00 13.44 C ATOM 637 C ASN A 41 -0.997 4.709 -12.264 1.00 61.32 C ATOM 638 O ASN A 41 -1.549 4.112 -13.191 1.00 54.35 O ATOM 639 CB ASN A 41 -1.682 6.852 -13.391 1.00 44.10 C ATOM 640 CG ASN A 41 -1.809 8.358 -13.253 1.00 53.44 C ATOM 641 OD1 ASN A 41 -1.908 8.839 -12.022 1.00 55.15 O flip ATOM 642 ND2 ASN A 41 -1.842 9.082 -14.247 1.00 1.50 N flip ATOM 0 H ASN A 41 0.889 7.181 -11.596 1.00 32.20 H new ATOM 0 HA ASN A 41 -1.247 6.616 -11.324 1.00 13.44 H new ATOM 0 HB2 ASN A 41 -1.219 6.616 -14.349 1.00 44.10 H new ATOM 0 HB3 ASN A 41 -2.677 6.406 -13.399 1.00 44.10 H new ATOM 0 HD21 ASN A 41 -1.763 8.674 -15.178 1.00 1.50 H new ATOM 0 HD22 ASN A 41 -1.949 10.091 -14.140 1.00 1.50 H new ATOM 649 N LEU A 42 -0.459 4.100 -11.221 1.00 45.21 N ATOM 650 CA LEU A 42 -0.371 2.654 -11.121 1.00 63.12 C ATOM 651 C LEU A 42 -1.686 2.067 -10.644 1.00 63.04 C ATOM 652 O LEU A 42 -2.198 1.104 -11.222 1.00 2.23 O ATOM 653 CB LEU A 42 0.755 2.282 -10.160 1.00 74.53 C ATOM 654 CG LEU A 42 2.127 2.832 -10.554 1.00 44.23 C ATOM 655 CD1 LEU A 42 3.093 2.756 -9.387 1.00 3.24 C ATOM 656 CD2 LEU A 42 2.675 2.072 -11.752 1.00 64.41 C ATOM 0 H LEU A 42 -0.070 4.596 -10.419 1.00 45.21 H new ATOM 0 HA LEU A 42 -0.157 2.242 -12.107 1.00 63.12 H new ATOM 0 HB2 LEU A 42 0.503 2.647 -9.164 1.00 74.53 H new ATOM 0 HB3 LEU A 42 0.817 1.196 -10.095 1.00 74.53 H new ATOM 0 HG LEU A 42 2.011 3.880 -10.830 1.00 44.23 H new ATOM 0 HD11 LEU A 42 4.062 3.152 -9.690 1.00 3.24 H new ATOM 0 HD12 LEU A 42 2.705 3.343 -8.555 1.00 3.24 H new ATOM 0 HD13 LEU A 42 3.207 1.718 -9.076 1.00 3.24 H new ATOM 0 HD21 LEU A 42 3.652 2.474 -12.022 1.00 64.41 H new ATOM 0 HD22 LEU A 42 2.774 1.016 -11.499 1.00 64.41 H new ATOM 0 HD23 LEU A 42 1.993 2.181 -12.595 1.00 64.41 H new ATOM 668 N PHE A 43 -2.223 2.653 -9.587 1.00 71.11 N ATOM 669 CA PHE A 43 -3.464 2.183 -9.000 1.00 12.54 C ATOM 670 C PHE A 43 -4.624 3.054 -9.462 1.00 74.31 C ATOM 671 O PHE A 43 -4.522 4.282 -9.476 1.00 15.50 O ATOM 672 CB PHE A 43 -3.364 2.197 -7.471 1.00 23.13 C ATOM 673 CG PHE A 43 -2.160 1.468 -6.937 1.00 14.51 C ATOM 674 CD1 PHE A 43 -2.123 0.082 -6.909 1.00 51.13 C ATOM 675 CD2 PHE A 43 -1.070 2.172 -6.450 1.00 2.32 C ATOM 676 CE1 PHE A 43 -1.020 -0.588 -6.409 1.00 51.12 C ATOM 677 CE2 PHE A 43 0.034 1.509 -5.951 1.00 70.41 C ATOM 678 CZ PHE A 43 0.057 0.128 -5.930 1.00 34.24 C ATOM 0 H PHE A 43 -1.815 3.460 -9.116 1.00 71.11 H new ATOM 0 HA PHE A 43 -3.643 1.159 -9.328 1.00 12.54 H new ATOM 0 HB2 PHE A 43 -3.334 3.231 -7.127 1.00 23.13 H new ATOM 0 HB3 PHE A 43 -4.265 1.748 -7.053 1.00 23.13 H new ATOM 0 HD1 PHE A 43 -2.965 -0.482 -7.282 1.00 51.13 H new ATOM 0 HD2 PHE A 43 -1.084 3.252 -6.461 1.00 2.32 H new ATOM 0 HE1 PHE A 43 -1.003 -1.668 -6.394 1.00 51.12 H new ATOM 0 HE2 PHE A 43 0.878 2.070 -5.578 1.00 70.41 H new ATOM 0 HZ PHE A 43 0.919 -0.391 -5.538 1.00 34.24 H new ATOM 688 N GLU A 44 -5.718 2.418 -9.861 1.00 11.43 N ATOM 689 CA GLU A 44 -6.902 3.140 -10.306 1.00 5.42 C ATOM 690 C GLU A 44 -7.568 3.831 -9.125 1.00 54.21 C ATOM 691 O GLU A 44 -8.001 4.982 -9.223 1.00 65.52 O ATOM 692 CB GLU A 44 -7.885 2.188 -10.992 1.00 53.41 C ATOM 693 CG GLU A 44 -7.343 1.589 -12.280 1.00 14.43 C ATOM 694 CD GLU A 44 -8.302 0.610 -12.923 1.00 33.03 C ATOM 695 OE1 GLU A 44 -9.345 1.047 -13.451 1.00 11.14 O ATOM 696 OE2 GLU A 44 -8.007 -0.605 -12.920 1.00 53.24 O ATOM 0 H GLU A 44 -5.810 1.402 -9.885 1.00 11.43 H new ATOM 0 HA GLU A 44 -6.598 3.897 -11.029 1.00 5.42 H new ATOM 0 HB2 GLU A 44 -8.140 1.382 -10.304 1.00 53.41 H new ATOM 0 HB3 GLU A 44 -8.808 2.725 -11.210 1.00 53.41 H new ATOM 0 HG2 GLU A 44 -7.124 2.392 -12.984 1.00 14.43 H new ATOM 0 HG3 GLU A 44 -6.401 1.083 -12.071 1.00 14.43 H new ATOM 703 N ALA A 45 -7.652 3.112 -8.015 1.00 31.05 N ATOM 704 CA ALA A 45 -8.148 3.667 -6.768 1.00 35.40 C ATOM 705 C ALA A 45 -7.257 3.215 -5.619 1.00 60.01 C ATOM 706 O ALA A 45 -7.456 2.140 -5.052 1.00 64.10 O ATOM 707 CB ALA A 45 -9.594 3.257 -6.528 1.00 70.21 C ATOM 0 H ALA A 45 -7.379 2.131 -7.955 1.00 31.05 H new ATOM 0 HA ALA A 45 -8.121 4.755 -6.830 1.00 35.40 H new ATOM 0 HB1 ALA A 45 -9.942 3.685 -5.588 1.00 70.21 H new ATOM 0 HB2 ALA A 45 -10.216 3.622 -7.345 1.00 70.21 H new ATOM 0 HB3 ALA A 45 -9.661 2.170 -6.478 1.00 70.21 H new ATOM 713 N LEU A 46 -6.266 4.034 -5.295 1.00 22.52 N ATOM 714 CA LEU A 46 -5.249 3.673 -4.313 1.00 21.03 C ATOM 715 C LEU A 46 -5.863 3.370 -2.949 1.00 5.32 C ATOM 716 O LEU A 46 -5.460 2.417 -2.280 1.00 43.14 O ATOM 717 CB LEU A 46 -4.206 4.788 -4.198 1.00 1.51 C ATOM 718 CG LEU A 46 -3.142 4.589 -3.113 1.00 42.15 C ATOM 719 CD1 LEU A 46 -2.340 3.322 -3.363 1.00 74.15 C ATOM 720 CD2 LEU A 46 -2.218 5.795 -3.049 1.00 44.45 C ATOM 0 H LEU A 46 -6.143 4.961 -5.701 1.00 22.52 H new ATOM 0 HA LEU A 46 -4.759 2.763 -4.659 1.00 21.03 H new ATOM 0 HB2 LEU A 46 -3.704 4.892 -5.160 1.00 1.51 H new ATOM 0 HB3 LEU A 46 -4.724 5.728 -4.006 1.00 1.51 H new ATOM 0 HG LEU A 46 -3.651 4.486 -2.155 1.00 42.15 H new ATOM 0 HD11 LEU A 46 -1.592 3.204 -2.579 1.00 74.15 H new ATOM 0 HD12 LEU A 46 -3.009 2.461 -3.359 1.00 74.15 H new ATOM 0 HD13 LEU A 46 -1.843 3.391 -4.331 1.00 74.15 H new ATOM 0 HD21 LEU A 46 -1.468 5.638 -2.274 1.00 44.45 H new ATOM 0 HD22 LEU A 46 -1.723 5.926 -4.011 1.00 44.45 H new ATOM 0 HD23 LEU A 46 -2.800 6.687 -2.816 1.00 44.45 H new ATOM 732 N VAL A 47 -6.846 4.169 -2.546 1.00 12.31 N ATOM 733 CA VAL A 47 -7.528 3.950 -1.274 1.00 33.30 C ATOM 734 C VAL A 47 -8.192 2.578 -1.254 1.00 54.01 C ATOM 735 O VAL A 47 -8.068 1.835 -0.282 1.00 12.33 O ATOM 736 CB VAL A 47 -8.592 5.036 -0.996 1.00 2.13 C ATOM 737 CG1 VAL A 47 -9.270 4.798 0.347 1.00 22.14 C ATOM 738 CG2 VAL A 47 -7.967 6.421 -1.043 1.00 51.44 C ATOM 0 H VAL A 47 -7.187 4.970 -3.078 1.00 12.31 H new ATOM 0 HA VAL A 47 -6.771 4.005 -0.492 1.00 33.30 H new ATOM 0 HB VAL A 47 -9.352 4.975 -1.775 1.00 2.13 H new ATOM 0 HG11 VAL A 47 -10.015 5.575 0.521 1.00 22.14 H new ATOM 0 HG12 VAL A 47 -9.757 3.823 0.341 1.00 22.14 H new ATOM 0 HG13 VAL A 47 -8.524 4.826 1.141 1.00 22.14 H new ATOM 0 HG21 VAL A 47 -8.732 7.172 -0.845 1.00 51.44 H new ATOM 0 HG22 VAL A 47 -7.184 6.493 -0.288 1.00 51.44 H new ATOM 0 HG23 VAL A 47 -7.537 6.593 -2.030 1.00 51.44 H new ATOM 748 N GLY A 48 -8.874 2.243 -2.344 1.00 43.25 N ATOM 749 CA GLY A 48 -9.517 0.946 -2.455 1.00 72.45 C ATOM 750 C GLY A 48 -8.519 -0.192 -2.450 1.00 2.31 C ATOM 751 O GLY A 48 -8.780 -1.250 -1.879 1.00 62.34 O ATOM 0 H GLY A 48 -8.993 2.849 -3.156 1.00 43.25 H new ATOM 0 HA2 GLY A 48 -10.216 0.817 -1.628 1.00 72.45 H new ATOM 0 HA3 GLY A 48 -10.101 0.910 -3.375 1.00 72.45 H new ATOM 755 N THR A 49 -7.373 0.028 -3.083 1.00 74.21 N ATOM 756 CA THR A 49 -6.301 -0.956 -3.091 1.00 33.45 C ATOM 757 C THR A 49 -5.763 -1.178 -1.674 1.00 13.24 C ATOM 758 O THR A 49 -5.585 -2.318 -1.237 1.00 14.34 O ATOM 759 CB THR A 49 -5.155 -0.506 -4.021 1.00 42.32 C ATOM 760 OG1 THR A 49 -5.674 -0.209 -5.325 1.00 31.15 O ATOM 761 CG2 THR A 49 -4.086 -1.581 -4.134 1.00 60.42 C ATOM 0 H THR A 49 -7.163 0.883 -3.599 1.00 74.21 H new ATOM 0 HA THR A 49 -6.709 -1.895 -3.465 1.00 33.45 H new ATOM 0 HB THR A 49 -4.702 0.388 -3.591 1.00 42.32 H new ATOM 0 HG1 THR A 49 -6.208 0.612 -5.285 1.00 31.15 H new ATOM 0 HG21 THR A 49 -3.291 -1.236 -4.796 1.00 60.42 H new ATOM 0 HG22 THR A 49 -3.672 -1.788 -3.147 1.00 60.42 H new ATOM 0 HG23 THR A 49 -4.527 -2.491 -4.541 1.00 60.42 H new ATOM 769 N LEU A 50 -5.524 -0.079 -0.960 1.00 40.03 N ATOM 770 CA LEU A 50 -5.069 -0.138 0.427 1.00 70.41 C ATOM 771 C LEU A 50 -6.093 -0.856 1.296 1.00 25.31 C ATOM 772 O LEU A 50 -5.759 -1.766 2.054 1.00 1.10 O ATOM 773 CB LEU A 50 -4.842 1.276 0.978 1.00 25.11 C ATOM 774 CG LEU A 50 -3.692 2.061 0.348 1.00 71.53 C ATOM 775 CD1 LEU A 50 -3.639 3.467 0.928 1.00 42.54 C ATOM 776 CD2 LEU A 50 -2.367 1.342 0.565 1.00 53.04 C ATOM 0 H LEU A 50 -5.639 0.868 -1.322 1.00 40.03 H new ATOM 0 HA LEU A 50 -4.129 -0.689 0.449 1.00 70.41 H new ATOM 0 HB2 LEU A 50 -5.761 1.848 0.848 1.00 25.11 H new ATOM 0 HB3 LEU A 50 -4.662 1.203 2.050 1.00 25.11 H new ATOM 0 HG LEU A 50 -3.867 2.132 -0.726 1.00 71.53 H new ATOM 0 HD11 LEU A 50 -2.816 4.018 0.472 1.00 42.54 H new ATOM 0 HD12 LEU A 50 -4.578 3.981 0.722 1.00 42.54 H new ATOM 0 HD13 LEU A 50 -3.485 3.410 2.006 1.00 42.54 H new ATOM 0 HD21 LEU A 50 -1.562 1.918 0.109 1.00 53.04 H new ATOM 0 HD22 LEU A 50 -2.179 1.240 1.634 1.00 53.04 H new ATOM 0 HD23 LEU A 50 -2.410 0.353 0.108 1.00 53.04 H new ATOM 788 N LYS A 51 -7.339 -0.433 1.162 1.00 12.12 N ATOM 789 CA LYS A 51 -8.446 -0.970 1.933 1.00 63.21 C ATOM 790 C LYS A 51 -8.632 -2.466 1.678 1.00 2.54 C ATOM 791 O LYS A 51 -8.894 -3.236 2.604 1.00 5.54 O ATOM 792 CB LYS A 51 -9.692 -0.191 1.540 1.00 75.44 C ATOM 793 CG LYS A 51 -10.869 -0.352 2.471 1.00 13.33 C ATOM 794 CD LYS A 51 -11.779 0.852 2.346 1.00 24.24 C ATOM 795 CE LYS A 51 -13.038 0.715 3.183 1.00 54.31 C ATOM 796 NZ LYS A 51 -12.737 0.442 4.613 1.00 61.23 N ATOM 0 H LYS A 51 -7.612 0.300 0.508 1.00 12.12 H new ATOM 0 HA LYS A 51 -8.247 -0.862 2.999 1.00 63.21 H new ATOM 0 HB2 LYS A 51 -9.437 0.867 1.482 1.00 75.44 H new ATOM 0 HB3 LYS A 51 -9.995 -0.501 0.540 1.00 75.44 H new ATOM 0 HG2 LYS A 51 -11.417 -1.262 2.228 1.00 13.33 H new ATOM 0 HG3 LYS A 51 -10.522 -0.454 3.499 1.00 13.33 H new ATOM 0 HD2 LYS A 51 -11.237 1.747 2.653 1.00 24.24 H new ATOM 0 HD3 LYS A 51 -12.054 0.989 1.300 1.00 24.24 H new ATOM 0 HE2 LYS A 51 -13.625 1.630 3.106 1.00 54.31 H new ATOM 0 HE3 LYS A 51 -13.652 -0.092 2.783 1.00 54.31 H new ATOM 0 HZ1 LYS A 51 -13.381 0.994 5.215 1.00 61.23 H new ATOM 0 HZ2 LYS A 51 -12.865 -0.572 4.807 1.00 61.23 H new ATOM 0 HZ3 LYS A 51 -11.754 0.713 4.819 1.00 61.23 H new ATOM 810 N ALA A 52 -8.484 -2.866 0.422 1.00 31.42 N ATOM 811 CA ALA A 52 -8.595 -4.266 0.038 1.00 61.12 C ATOM 812 C ALA A 52 -7.534 -5.103 0.741 1.00 61.13 C ATOM 813 O ALA A 52 -7.834 -6.125 1.359 1.00 64.41 O ATOM 814 CB ALA A 52 -8.456 -4.407 -1.468 1.00 70.41 C ATOM 0 H ALA A 52 -8.285 -2.234 -0.354 1.00 31.42 H new ATOM 0 HA ALA A 52 -9.577 -4.629 0.341 1.00 61.12 H new ATOM 0 HB1 ALA A 52 -8.541 -5.458 -1.744 1.00 70.41 H new ATOM 0 HB2 ALA A 52 -9.244 -3.838 -1.961 1.00 70.41 H new ATOM 0 HB3 ALA A 52 -7.484 -4.027 -1.781 1.00 70.41 H new ATOM 820 N ALA A 53 -6.294 -4.645 0.654 1.00 41.55 N ATOM 821 CA ALA A 53 -5.173 -5.341 1.263 1.00 12.40 C ATOM 822 C ALA A 53 -5.267 -5.309 2.783 1.00 54.34 C ATOM 823 O ALA A 53 -4.827 -6.236 3.455 1.00 0.12 O ATOM 824 CB ALA A 53 -3.870 -4.717 0.802 1.00 12.55 C ATOM 0 H ALA A 53 -6.039 -3.788 0.163 1.00 41.55 H new ATOM 0 HA ALA A 53 -5.203 -6.384 0.948 1.00 12.40 H new ATOM 0 HB1 ALA A 53 -3.033 -5.242 1.261 1.00 12.55 H new ATOM 0 HB2 ALA A 53 -3.794 -4.792 -0.283 1.00 12.55 H new ATOM 0 HB3 ALA A 53 -3.845 -3.668 1.096 1.00 12.55 H new ATOM 830 N LYS A 54 -5.841 -4.243 3.320 1.00 44.34 N ATOM 831 CA LYS A 54 -6.009 -4.110 4.761 1.00 60.42 C ATOM 832 C LYS A 54 -6.922 -5.210 5.300 1.00 34.43 C ATOM 833 O LYS A 54 -6.604 -5.859 6.297 1.00 35.42 O ATOM 834 CB LYS A 54 -6.580 -2.732 5.095 1.00 42.02 C ATOM 835 CG LYS A 54 -6.790 -2.487 6.583 1.00 73.40 C ATOM 836 CD LYS A 54 -7.362 -1.101 6.837 1.00 71.43 C ATOM 837 CE LYS A 54 -7.731 -0.901 8.297 1.00 1.22 C ATOM 838 NZ LYS A 54 -8.395 0.409 8.533 1.00 21.43 N ATOM 0 H LYS A 54 -6.199 -3.456 2.779 1.00 44.34 H new ATOM 0 HA LYS A 54 -5.034 -4.213 5.237 1.00 60.42 H new ATOM 0 HB2 LYS A 54 -5.908 -1.968 4.704 1.00 42.02 H new ATOM 0 HB3 LYS A 54 -7.533 -2.612 4.580 1.00 42.02 H new ATOM 0 HG2 LYS A 54 -7.465 -3.241 6.987 1.00 73.40 H new ATOM 0 HG3 LYS A 54 -5.841 -2.594 7.109 1.00 73.40 H new ATOM 0 HD2 LYS A 54 -6.633 -0.347 6.540 1.00 71.43 H new ATOM 0 HD3 LYS A 54 -8.245 -0.953 6.215 1.00 71.43 H new ATOM 0 HE2 LYS A 54 -8.394 -1.705 8.616 1.00 1.22 H new ATOM 0 HE3 LYS A 54 -6.832 -0.967 8.910 1.00 1.22 H new ATOM 0 HZ1 LYS A 54 -8.385 0.625 9.550 1.00 21.43 H new ATOM 0 HZ2 LYS A 54 -7.886 1.154 8.016 1.00 21.43 H new ATOM 0 HZ3 LYS A 54 -9.379 0.365 8.198 1.00 21.43 H new ATOM 852 N ARG A 55 -8.042 -5.434 4.618 1.00 14.25 N ATOM 853 CA ARG A 55 -9.003 -6.457 5.030 1.00 61.34 C ATOM 854 C ARG A 55 -8.488 -7.860 4.727 1.00 72.15 C ATOM 855 O ARG A 55 -8.890 -8.832 5.367 1.00 12.21 O ATOM 856 CB ARG A 55 -10.360 -6.233 4.350 1.00 63.14 C ATOM 857 CG ARG A 55 -11.323 -5.379 5.165 1.00 71.34 C ATOM 858 CD ARG A 55 -11.762 -6.097 6.435 1.00 20.33 C ATOM 859 NE ARG A 55 -12.711 -5.312 7.225 1.00 45.10 N ATOM 860 CZ ARG A 55 -13.602 -5.848 8.063 1.00 0.20 C ATOM 861 NH1 ARG A 55 -13.676 -7.166 8.207 1.00 20.44 N ATOM 862 NH2 ARG A 55 -14.417 -5.068 8.765 1.00 11.44 N ATOM 0 H ARG A 55 -8.308 -4.922 3.777 1.00 14.25 H new ATOM 0 HA ARG A 55 -9.132 -6.370 6.109 1.00 61.34 H new ATOM 0 HB2 ARG A 55 -10.197 -5.758 3.383 1.00 63.14 H new ATOM 0 HB3 ARG A 55 -10.823 -7.201 4.156 1.00 63.14 H new ATOM 0 HG2 ARG A 55 -10.844 -4.435 5.426 1.00 71.34 H new ATOM 0 HG3 ARG A 55 -12.197 -5.137 4.561 1.00 71.34 H new ATOM 0 HD2 ARG A 55 -12.217 -7.051 6.170 1.00 20.33 H new ATOM 0 HD3 ARG A 55 -10.886 -6.320 7.043 1.00 20.33 H new ATOM 0 HE ARG A 55 -12.691 -4.297 7.130 1.00 45.10 H new ATOM 0 HH11 ARG A 55 -13.051 -7.773 7.677 1.00 20.44 H new ATOM 0 HH12 ARG A 55 -14.358 -7.571 8.848 1.00 20.44 H new ATOM 0 HH21 ARG A 55 -14.364 -4.054 8.665 1.00 11.44 H new ATOM 0 HH22 ARG A 55 -15.096 -5.483 9.404 1.00 11.44 H new ATOM 876 N ARG A 56 -7.591 -7.965 3.756 1.00 23.54 N ATOM 877 CA ARG A 56 -7.005 -9.235 3.389 1.00 62.34 C ATOM 878 C ARG A 56 -5.797 -9.547 4.284 1.00 54.20 C ATOM 879 O ARG A 56 -5.120 -10.560 4.102 1.00 65.05 O ATOM 880 CB ARG A 56 -6.594 -9.188 1.917 1.00 22.42 C ATOM 881 CG ARG A 56 -6.161 -10.527 1.367 1.00 33.04 C ATOM 882 CD ARG A 56 -5.675 -10.418 -0.068 1.00 33.50 C ATOM 883 NE ARG A 56 -4.987 -11.632 -0.505 1.00 52.13 N ATOM 884 CZ ARG A 56 -4.258 -11.718 -1.621 1.00 41.10 C ATOM 885 NH1 ARG A 56 -4.243 -10.716 -2.493 1.00 43.41 N ATOM 886 NH2 ARG A 56 -3.568 -12.820 -1.878 1.00 41.31 N ATOM 0 H ARG A 56 -7.254 -7.174 3.207 1.00 23.54 H new ATOM 0 HA ARG A 56 -7.737 -10.030 3.531 1.00 62.34 H new ATOM 0 HB2 ARG A 56 -7.431 -8.815 1.326 1.00 22.42 H new ATOM 0 HB3 ARG A 56 -5.778 -8.475 1.799 1.00 22.42 H new ATOM 0 HG2 ARG A 56 -5.365 -10.936 1.990 1.00 33.04 H new ATOM 0 HG3 ARG A 56 -6.995 -11.227 1.416 1.00 33.04 H new ATOM 0 HD2 ARG A 56 -6.523 -10.225 -0.725 1.00 33.50 H new ATOM 0 HD3 ARG A 56 -5.001 -9.566 -0.159 1.00 33.50 H new ATOM 0 HE ARG A 56 -5.069 -12.465 0.078 1.00 52.13 H new ATOM 0 HH11 ARG A 56 -4.790 -9.874 -2.312 1.00 43.41 H new ATOM 0 HH12 ARG A 56 -3.684 -10.788 -3.343 1.00 43.41 H new ATOM 0 HH21 ARG A 56 -3.594 -13.602 -1.224 1.00 41.31 H new ATOM 0 HH22 ARG A 56 -3.011 -12.886 -2.730 1.00 41.31 H new ATOM 900 N LYS A 57 -5.563 -8.680 5.272 1.00 13.35 N ATOM 901 CA LYS A 57 -4.424 -8.795 6.180 1.00 33.14 C ATOM 902 C LYS A 57 -3.098 -8.774 5.425 1.00 11.34 C ATOM 903 O LYS A 57 -2.111 -9.363 5.860 1.00 43.24 O ATOM 904 CB LYS A 57 -4.526 -10.054 7.046 1.00 73.33 C ATOM 905 CG LYS A 57 -5.589 -9.965 8.132 1.00 14.32 C ATOM 906 CD LYS A 57 -6.995 -10.197 7.600 1.00 73.25 C ATOM 907 CE LYS A 57 -7.165 -11.610 7.068 1.00 32.21 C ATOM 908 NZ LYS A 57 -8.584 -11.918 6.754 1.00 13.10 N ATOM 0 H LYS A 57 -6.161 -7.876 5.464 1.00 13.35 H new ATOM 0 HA LYS A 57 -4.451 -7.925 6.836 1.00 33.14 H new ATOM 0 HB2 LYS A 57 -4.744 -10.908 6.405 1.00 73.33 H new ATOM 0 HB3 LYS A 57 -3.559 -10.244 7.511 1.00 73.33 H new ATOM 0 HG2 LYS A 57 -5.373 -10.700 8.907 1.00 14.32 H new ATOM 0 HG3 LYS A 57 -5.541 -8.983 8.602 1.00 14.32 H new ATOM 0 HD2 LYS A 57 -7.720 -10.017 8.394 1.00 73.25 H new ATOM 0 HD3 LYS A 57 -7.207 -9.481 6.806 1.00 73.25 H new ATOM 0 HE2 LYS A 57 -6.559 -11.735 6.170 1.00 32.21 H new ATOM 0 HE3 LYS A 57 -6.794 -12.322 7.805 1.00 32.21 H new ATOM 0 HZ1 LYS A 57 -8.657 -12.891 6.394 1.00 13.10 H new ATOM 0 HZ2 LYS A 57 -9.159 -11.824 7.616 1.00 13.10 H new ATOM 0 HZ3 LYS A 57 -8.932 -11.255 6.032 1.00 13.10 H new ATOM 922 N ILE A 58 -3.082 -8.071 4.305 1.00 21.41 N ATOM 923 CA ILE A 58 -1.864 -7.874 3.541 1.00 21.15 C ATOM 924 C ILE A 58 -1.069 -6.735 4.148 1.00 21.34 C ATOM 925 O ILE A 58 0.117 -6.867 4.429 1.00 55.12 O ATOM 926 CB ILE A 58 -2.160 -7.517 2.070 1.00 61.41 C ATOM 927 CG1 ILE A 58 -3.077 -8.553 1.425 1.00 42.23 C ATOM 928 CG2 ILE A 58 -0.865 -7.392 1.286 1.00 14.05 C ATOM 929 CD1 ILE A 58 -2.486 -9.942 1.368 1.00 52.15 C ATOM 0 H ILE A 58 -3.906 -7.624 3.903 1.00 21.41 H new ATOM 0 HA ILE A 58 -1.305 -8.809 3.571 1.00 21.15 H new ATOM 0 HB ILE A 58 -2.675 -6.556 2.053 1.00 61.41 H new ATOM 0 HG12 ILE A 58 -4.014 -8.590 1.980 1.00 42.23 H new ATOM 0 HG13 ILE A 58 -3.319 -8.230 0.413 1.00 42.23 H new ATOM 0 HG21 ILE A 58 -1.090 -7.140 0.250 1.00 14.05 H new ATOM 0 HG22 ILE A 58 -0.248 -6.608 1.725 1.00 14.05 H new ATOM 0 HG23 ILE A 58 -0.326 -8.339 1.320 1.00 14.05 H new ATOM 0 HD11 ILE A 58 -3.197 -10.621 0.897 1.00 52.15 H new ATOM 0 HD12 ILE A 58 -1.564 -9.922 0.787 1.00 52.15 H new ATOM 0 HD13 ILE A 58 -2.270 -10.287 2.379 1.00 52.15 H new ATOM 941 N VAL A 59 -1.748 -5.620 4.358 1.00 14.41 N ATOM 942 CA VAL A 59 -1.125 -4.428 4.903 1.00 24.51 C ATOM 943 C VAL A 59 -2.001 -3.835 5.991 1.00 3.34 C ATOM 944 O VAL A 59 -3.134 -4.273 6.194 1.00 70.34 O ATOM 945 CB VAL A 59 -0.891 -3.347 3.821 1.00 13.33 C ATOM 946 CG1 VAL A 59 -0.015 -3.874 2.700 1.00 35.11 C ATOM 947 CG2 VAL A 59 -2.215 -2.840 3.270 1.00 24.43 C ATOM 0 H VAL A 59 -2.742 -5.517 4.156 1.00 14.41 H new ATOM 0 HA VAL A 59 -0.159 -4.731 5.307 1.00 24.51 H new ATOM 0 HB VAL A 59 -0.371 -2.513 4.291 1.00 13.33 H new ATOM 0 HG11 VAL A 59 0.132 -3.092 1.955 1.00 35.11 H new ATOM 0 HG12 VAL A 59 0.951 -4.176 3.104 1.00 35.11 H new ATOM 0 HG13 VAL A 59 -0.498 -4.733 2.234 1.00 35.11 H new ATOM 0 HG21 VAL A 59 -2.026 -2.081 2.511 1.00 24.43 H new ATOM 0 HG22 VAL A 59 -2.765 -3.669 2.825 1.00 24.43 H new ATOM 0 HG23 VAL A 59 -2.803 -2.406 4.079 1.00 24.43 H new ATOM 957 N THR A 60 -1.480 -2.846 6.688 1.00 71.21 N ATOM 958 CA THR A 60 -2.264 -2.126 7.663 1.00 75.14 C ATOM 959 C THR A 60 -1.896 -0.648 7.640 1.00 14.23 C ATOM 960 O THR A 60 -0.753 -0.279 7.348 1.00 12.42 O ATOM 961 CB THR A 60 -2.075 -2.705 9.084 1.00 65.23 C ATOM 962 OG1 THR A 60 -3.099 -2.213 9.956 1.00 0.23 O ATOM 963 CG2 THR A 60 -0.705 -2.356 9.655 1.00 55.34 C ATOM 0 H THR A 60 -0.516 -2.524 6.595 1.00 71.21 H new ATOM 0 HA THR A 60 -3.315 -2.238 7.398 1.00 75.14 H new ATOM 0 HB THR A 60 -2.145 -3.790 9.010 1.00 65.23 H new ATOM 0 HG1 THR A 60 -2.972 -2.586 10.853 1.00 0.23 H new ATOM 0 HG21 THR A 60 -0.609 -2.780 10.655 1.00 55.34 H new ATOM 0 HG22 THR A 60 0.073 -2.766 9.011 1.00 55.34 H new ATOM 0 HG23 THR A 60 -0.598 -1.273 9.708 1.00 55.34 H new ATOM 971 N TYR A 61 -2.882 0.180 7.919 1.00 2.43 N ATOM 972 CA TYR A 61 -2.707 1.616 7.976 1.00 11.32 C ATOM 973 C TYR A 61 -3.883 2.202 8.741 1.00 1.43 C ATOM 974 O TYR A 61 -4.972 1.617 8.733 1.00 10.31 O ATOM 975 CB TYR A 61 -2.602 2.220 6.561 1.00 14.04 C ATOM 976 CG TYR A 61 -3.887 2.201 5.757 1.00 50.23 C ATOM 977 CD1 TYR A 61 -4.457 1.007 5.325 1.00 62.22 C ATOM 978 CD2 TYR A 61 -4.522 3.389 5.419 1.00 43.21 C ATOM 979 CE1 TYR A 61 -5.624 1.001 4.583 1.00 75.12 C ATOM 980 CE2 TYR A 61 -5.690 3.390 4.678 1.00 21.31 C ATOM 981 CZ TYR A 61 -6.236 2.195 4.264 1.00 23.33 C ATOM 982 OH TYR A 61 -7.398 2.191 3.525 1.00 25.31 O ATOM 0 H TYR A 61 -3.835 -0.128 8.114 1.00 2.43 H new ATOM 0 HA TYR A 61 -1.775 1.858 8.488 1.00 11.32 H new ATOM 0 HB2 TYR A 61 -2.261 3.252 6.648 1.00 14.04 H new ATOM 0 HB3 TYR A 61 -1.837 1.677 6.007 1.00 14.04 H new ATOM 0 HD1 TYR A 61 -3.980 0.070 5.573 1.00 62.22 H new ATOM 0 HD2 TYR A 61 -4.097 4.328 5.740 1.00 43.21 H new ATOM 0 HE1 TYR A 61 -6.054 0.066 4.255 1.00 75.12 H new ATOM 0 HE2 TYR A 61 -6.172 4.323 4.425 1.00 21.31 H new ATOM 0 HH TYR A 61 -7.898 1.368 3.706 1.00 25.31 H new ATOM 992 N PRO A 62 -3.683 3.325 9.445 1.00 71.52 N ATOM 993 CA PRO A 62 -4.738 3.922 10.270 1.00 24.14 C ATOM 994 C PRO A 62 -5.946 4.329 9.440 1.00 73.32 C ATOM 995 O PRO A 62 -5.803 4.936 8.375 1.00 3.43 O ATOM 996 CB PRO A 62 -4.068 5.162 10.874 1.00 44.13 C ATOM 997 CG PRO A 62 -2.604 4.917 10.748 1.00 4.31 C ATOM 998 CD PRO A 62 -2.433 4.096 9.505 1.00 52.31 C ATOM 0 HA PRO A 62 -5.116 3.223 11.016 1.00 24.14 H new ATOM 0 HB2 PRO A 62 -4.363 6.067 10.342 1.00 44.13 H new ATOM 0 HB3 PRO A 62 -4.356 5.297 11.917 1.00 44.13 H new ATOM 0 HG2 PRO A 62 -2.055 5.856 10.675 1.00 4.31 H new ATOM 0 HG3 PRO A 62 -2.219 4.390 11.621 1.00 4.31 H new ATOM 0 HD2 PRO A 62 -2.302 4.722 8.622 1.00 52.31 H new ATOM 0 HD3 PRO A 62 -1.560 3.446 9.567 1.00 52.31 H new ATOM 1006 N GLY A 63 -7.131 4.029 9.965 1.00 32.44 N ATOM 1007 CA GLY A 63 -8.365 4.322 9.264 1.00 60.42 C ATOM 1008 C GLY A 63 -8.376 3.805 7.835 1.00 14.31 C ATOM 1009 O GLY A 63 -7.653 2.867 7.488 1.00 52.24 O ATOM 0 H GLY A 63 -7.256 3.583 10.874 1.00 32.44 H new ATOM 0 HA2 GLY A 63 -9.199 3.882 9.810 1.00 60.42 H new ATOM 0 HA3 GLY A 63 -8.524 5.400 9.255 1.00 60.42 H new ATOM 1013 N GLU A 64 -9.248 4.387 7.030 1.00 23.14 N ATOM 1014 CA GLU A 64 -9.269 4.152 5.592 1.00 43.34 C ATOM 1015 C GLU A 64 -9.642 5.445 4.882 1.00 63.12 C ATOM 1016 O GLU A 64 -10.012 5.458 3.706 1.00 53.44 O ATOM 1017 CB GLU A 64 -10.239 3.022 5.211 1.00 75.14 C ATOM 1018 CG GLU A 64 -11.466 2.902 6.101 1.00 24.34 C ATOM 1019 CD GLU A 64 -11.185 2.141 7.385 1.00 71.43 C ATOM 1020 OE1 GLU A 64 -10.758 0.969 7.301 1.00 51.03 O ATOM 1021 OE2 GLU A 64 -11.396 2.712 8.473 1.00 35.33 O ATOM 0 H GLU A 64 -9.964 5.038 7.353 1.00 23.14 H new ATOM 0 HA GLU A 64 -8.275 3.834 5.278 1.00 43.34 H new ATOM 0 HB2 GLU A 64 -10.568 3.177 4.183 1.00 75.14 H new ATOM 0 HB3 GLU A 64 -9.698 2.076 5.234 1.00 75.14 H new ATOM 0 HG2 GLU A 64 -11.831 3.899 6.347 1.00 24.34 H new ATOM 0 HG3 GLU A 64 -12.261 2.398 5.551 1.00 24.34 H new ATOM 1028 N LEU A 65 -9.528 6.534 5.626 1.00 32.33 N ATOM 1029 CA LEU A 65 -9.788 7.867 5.113 1.00 13.43 C ATOM 1030 C LEU A 65 -8.814 8.847 5.759 1.00 45.22 C ATOM 1031 O LEU A 65 -8.960 9.221 6.924 1.00 53.53 O ATOM 1032 CB LEU A 65 -11.250 8.296 5.350 1.00 34.53 C ATOM 1033 CG LEU A 65 -11.729 8.354 6.811 1.00 73.12 C ATOM 1034 CD1 LEU A 65 -13.005 9.174 6.911 1.00 20.53 C ATOM 1035 CD2 LEU A 65 -11.970 6.959 7.369 1.00 13.12 C ATOM 0 H LEU A 65 -9.251 6.516 6.608 1.00 32.33 H new ATOM 0 HA LEU A 65 -9.637 7.864 4.034 1.00 13.43 H new ATOM 0 HB2 LEU A 65 -11.390 9.282 4.907 1.00 34.53 H new ATOM 0 HB3 LEU A 65 -11.898 7.608 4.807 1.00 34.53 H new ATOM 0 HG LEU A 65 -10.945 8.828 7.402 1.00 73.12 H new ATOM 0 HD11 LEU A 65 -13.335 9.208 7.949 1.00 20.53 H new ATOM 0 HD12 LEU A 65 -12.815 10.187 6.557 1.00 20.53 H new ATOM 0 HD13 LEU A 65 -13.781 8.715 6.299 1.00 20.53 H new ATOM 0 HD21 LEU A 65 -12.307 7.034 8.403 1.00 13.12 H new ATOM 0 HD22 LEU A 65 -12.732 6.456 6.774 1.00 13.12 H new ATOM 0 HD23 LEU A 65 -11.043 6.387 7.331 1.00 13.12 H new ATOM 1047 N LEU A 66 -7.796 9.224 5.006 1.00 61.34 N ATOM 1048 CA LEU A 66 -6.739 10.075 5.527 1.00 33.31 C ATOM 1049 C LEU A 66 -6.972 11.528 5.148 1.00 72.42 C ATOM 1050 O LEU A 66 -7.550 11.824 4.102 1.00 15.24 O ATOM 1051 CB LEU A 66 -5.368 9.625 5.007 1.00 72.33 C ATOM 1052 CG LEU A 66 -4.741 8.417 5.716 1.00 43.11 C ATOM 1053 CD1 LEU A 66 -4.687 8.653 7.220 1.00 43.14 C ATOM 1054 CD2 LEU A 66 -5.493 7.132 5.390 1.00 75.45 C ATOM 0 H LEU A 66 -7.678 8.954 4.029 1.00 61.34 H new ATOM 0 HA LEU A 66 -6.754 9.986 6.613 1.00 33.31 H new ATOM 0 HB2 LEU A 66 -5.463 9.389 3.947 1.00 72.33 H new ATOM 0 HB3 LEU A 66 -4.678 10.465 5.086 1.00 72.33 H new ATOM 0 HG LEU A 66 -3.721 8.300 5.349 1.00 43.11 H new ATOM 0 HD11 LEU A 66 -4.240 7.787 7.708 1.00 43.14 H new ATOM 0 HD12 LEU A 66 -4.086 9.538 7.428 1.00 43.14 H new ATOM 0 HD13 LEU A 66 -5.697 8.803 7.601 1.00 43.14 H new ATOM 0 HD21 LEU A 66 -5.024 6.295 5.907 1.00 75.45 H new ATOM 0 HD22 LEU A 66 -6.529 7.225 5.714 1.00 75.45 H new ATOM 0 HD23 LEU A 66 -5.464 6.956 4.315 1.00 75.45 H new ATOM 1066 N LEU A 67 -6.515 12.427 6.005 1.00 33.23 N ATOM 1067 CA LEU A 67 -6.585 13.853 5.732 1.00 42.05 C ATOM 1068 C LEU A 67 -5.260 14.327 5.147 1.00 54.12 C ATOM 1069 O LEU A 67 -4.248 13.625 5.239 1.00 54.24 O ATOM 1070 CB LEU A 67 -6.907 14.650 7.006 1.00 20.45 C ATOM 1071 CG LEU A 67 -8.352 14.552 7.522 1.00 1.54 C ATOM 1072 CD1 LEU A 67 -8.663 13.158 8.046 1.00 21.13 C ATOM 1073 CD2 LEU A 67 -8.593 15.588 8.608 1.00 63.43 C ATOM 0 H LEU A 67 -6.089 12.192 6.901 1.00 33.23 H new ATOM 0 HA LEU A 67 -7.388 14.025 5.015 1.00 42.05 H new ATOM 0 HB2 LEU A 67 -6.237 14.315 7.798 1.00 20.45 H new ATOM 0 HB3 LEU A 67 -6.680 15.700 6.820 1.00 20.45 H new ATOM 0 HG LEU A 67 -9.020 14.750 6.684 1.00 1.54 H new ATOM 0 HD11 LEU A 67 -9.692 13.125 8.403 1.00 21.13 H new ATOM 0 HD12 LEU A 67 -8.533 12.431 7.245 1.00 21.13 H new ATOM 0 HD13 LEU A 67 -7.987 12.919 8.867 1.00 21.13 H new ATOM 0 HD21 LEU A 67 -9.620 15.509 8.965 1.00 63.43 H new ATOM 0 HD22 LEU A 67 -7.906 15.414 9.436 1.00 63.43 H new ATOM 0 HD23 LEU A 67 -8.426 16.586 8.202 1.00 63.43 H new ATOM 1085 N GLN A 68 -5.270 15.505 4.547 1.00 31.01 N ATOM 1086 CA GLN A 68 -4.065 16.076 3.959 1.00 23.20 C ATOM 1087 C GLN A 68 -3.039 16.405 5.044 1.00 52.11 C ATOM 1088 O GLN A 68 -3.398 16.832 6.143 1.00 63.24 O ATOM 1089 CB GLN A 68 -4.406 17.338 3.165 1.00 25.30 C ATOM 1090 CG GLN A 68 -5.391 17.098 2.032 1.00 23.13 C ATOM 1091 CD GLN A 68 -5.748 18.373 1.296 1.00 54.10 C ATOM 1092 OE1 GLN A 68 -5.744 19.462 1.875 1.00 63.13 O ATOM 1093 NE2 GLN A 68 -6.061 18.254 0.017 1.00 63.21 N ATOM 0 H GLN A 68 -6.101 16.088 4.453 1.00 31.01 H new ATOM 0 HA GLN A 68 -3.634 15.338 3.283 1.00 23.20 H new ATOM 0 HB2 GLN A 68 -4.821 18.083 3.844 1.00 25.30 H new ATOM 0 HB3 GLN A 68 -3.488 17.758 2.754 1.00 25.30 H new ATOM 0 HG2 GLN A 68 -4.964 16.383 1.329 1.00 23.13 H new ATOM 0 HG3 GLN A 68 -6.299 16.647 2.433 1.00 23.13 H new ATOM 0 HE21 GLN A 68 -6.053 17.336 -0.427 1.00 63.21 H new ATOM 0 HE22 GLN A 68 -6.311 19.081 -0.526 1.00 63.21 H new ATOM 1102 N GLY A 69 -1.766 16.182 4.738 1.00 63.43 N ATOM 1103 CA GLY A 69 -0.700 16.517 5.667 1.00 32.34 C ATOM 1104 C GLY A 69 -0.436 15.439 6.698 1.00 41.11 C ATOM 1105 O GLY A 69 0.698 14.988 6.860 1.00 45.22 O ATOM 0 H GLY A 69 -1.451 15.773 3.858 1.00 63.43 H new ATOM 0 HA2 GLY A 69 0.215 16.703 5.105 1.00 32.34 H new ATOM 0 HA3 GLY A 69 -0.954 17.445 6.180 1.00 32.34 H new ATOM 1109 N VAL A 70 -1.482 15.015 7.390 1.00 50.10 N ATOM 1110 CA VAL A 70 -1.339 14.069 8.487 1.00 42.14 C ATOM 1111 C VAL A 70 -0.947 12.684 7.983 1.00 4.34 C ATOM 1112 O VAL A 70 -0.353 11.891 8.709 1.00 45.41 O ATOM 1113 CB VAL A 70 -2.645 13.948 9.298 1.00 0.32 C ATOM 1114 CG1 VAL A 70 -3.069 15.299 9.852 1.00 31.31 C ATOM 1115 CG2 VAL A 70 -3.753 13.354 8.444 1.00 34.31 C ATOM 0 H VAL A 70 -2.441 15.311 7.211 1.00 50.10 H new ATOM 0 HA VAL A 70 -0.548 14.456 9.129 1.00 42.14 H new ATOM 0 HB VAL A 70 -2.458 13.279 10.138 1.00 0.32 H new ATOM 0 HG11 VAL A 70 -3.993 15.186 10.420 1.00 31.31 H new ATOM 0 HG12 VAL A 70 -2.287 15.686 10.505 1.00 31.31 H new ATOM 0 HG13 VAL A 70 -3.232 15.995 9.029 1.00 31.31 H new ATOM 0 HG21 VAL A 70 -4.666 13.277 9.035 1.00 34.31 H new ATOM 0 HG22 VAL A 70 -3.932 13.996 7.582 1.00 34.31 H new ATOM 0 HG23 VAL A 70 -3.457 12.362 8.102 1.00 34.31 H new ATOM 1125 N HIS A 71 -1.268 12.404 6.730 1.00 12.21 N ATOM 1126 CA HIS A 71 -1.071 11.073 6.183 1.00 1.33 C ATOM 1127 C HIS A 71 0.334 10.924 5.599 1.00 13.01 C ATOM 1128 O HIS A 71 0.750 9.826 5.238 1.00 55.25 O ATOM 1129 CB HIS A 71 -2.139 10.772 5.113 1.00 32.31 C ATOM 1130 CG HIS A 71 -1.943 11.490 3.806 1.00 42.10 C ATOM 1131 ND1 HIS A 71 -2.881 12.325 3.243 1.00 31.45 N ATOM 1132 CD2 HIS A 71 -0.907 11.465 2.946 1.00 65.52 C ATOM 1133 CE1 HIS A 71 -2.425 12.781 2.092 1.00 13.13 C ATOM 1134 NE2 HIS A 71 -1.223 12.275 1.884 1.00 2.22 N ATOM 0 H HIS A 71 -1.665 13.078 6.075 1.00 12.21 H new ATOM 0 HA HIS A 71 -1.176 10.351 6.993 1.00 1.33 H new ATOM 0 HB2 HIS A 71 -2.151 9.699 4.923 1.00 32.31 H new ATOM 0 HB3 HIS A 71 -3.118 11.036 5.513 1.00 32.31 H new ATOM 0 HD1 HIS A 71 -3.787 12.555 3.652 1.00 31.45 H new ATOM 0 HD2 HIS A 71 0.009 10.907 3.070 1.00 65.52 H new ATOM 0 HE1 HIS A 71 -2.948 13.456 1.430 1.00 13.13 H new ATOM 1143 N ASP A 72 1.052 12.028 5.503 1.00 45.53 N ATOM 1144 CA ASP A 72 2.320 12.053 4.780 1.00 31.12 C ATOM 1145 C ASP A 72 3.408 11.269 5.507 1.00 34.40 C ATOM 1146 O ASP A 72 4.223 10.596 4.873 1.00 54.14 O ATOM 1147 CB ASP A 72 2.761 13.499 4.536 1.00 71.41 C ATOM 1148 CG ASP A 72 1.846 14.227 3.565 1.00 50.40 C ATOM 1149 OD1 ASP A 72 0.612 14.212 3.767 1.00 3.24 O ATOM 1150 OD2 ASP A 72 2.354 14.824 2.591 1.00 1.41 O ATOM 0 H ASP A 72 0.783 12.921 5.915 1.00 45.53 H new ATOM 0 HA ASP A 72 2.163 11.564 3.819 1.00 31.12 H new ATOM 0 HB2 ASP A 72 2.780 14.035 5.485 1.00 71.41 H new ATOM 0 HB3 ASP A 72 3.779 13.505 4.146 1.00 71.41 H new ATOM 1155 N ASP A 73 3.401 11.323 6.833 1.00 53.41 N ATOM 1156 CA ASP A 73 4.418 10.633 7.631 1.00 2.43 C ATOM 1157 C ASP A 73 3.932 9.241 8.046 1.00 50.52 C ATOM 1158 O ASP A 73 4.578 8.550 8.834 1.00 44.21 O ATOM 1159 CB ASP A 73 4.793 11.468 8.867 1.00 23.35 C ATOM 1160 CG ASP A 73 5.942 10.861 9.657 1.00 53.15 C ATOM 1161 OD1 ASP A 73 7.001 10.581 9.056 1.00 75.10 O ATOM 1162 OD2 ASP A 73 5.794 10.652 10.881 1.00 33.24 O ATOM 0 H ASP A 73 2.708 11.834 7.380 1.00 53.41 H new ATOM 0 HA ASP A 73 5.309 10.511 7.016 1.00 2.43 H new ATOM 0 HB2 ASP A 73 5.066 12.475 8.551 1.00 23.35 H new ATOM 0 HB3 ASP A 73 3.922 11.563 9.515 1.00 23.35 H new ATOM 1167 N VAL A 74 2.805 8.817 7.490 1.00 64.21 N ATOM 1168 CA VAL A 74 2.233 7.521 7.829 1.00 3.53 C ATOM 1169 C VAL A 74 3.027 6.398 7.176 1.00 20.43 C ATOM 1170 O VAL A 74 3.210 6.381 5.957 1.00 0.12 O ATOM 1171 CB VAL A 74 0.756 7.406 7.389 1.00 32.21 C ATOM 1172 CG1 VAL A 74 0.177 6.053 7.771 1.00 13.21 C ATOM 1173 CG2 VAL A 74 -0.074 8.528 7.983 1.00 74.32 C ATOM 0 H VAL A 74 2.270 9.350 6.804 1.00 64.21 H new ATOM 0 HA VAL A 74 2.281 7.432 8.914 1.00 3.53 H new ATOM 0 HB VAL A 74 0.724 7.495 6.303 1.00 32.21 H new ATOM 0 HG11 VAL A 74 -0.863 5.999 7.450 1.00 13.21 H new ATOM 0 HG12 VAL A 74 0.749 5.262 7.285 1.00 13.21 H new ATOM 0 HG13 VAL A 74 0.230 5.927 8.852 1.00 13.21 H new ATOM 0 HG21 VAL A 74 -1.110 8.425 7.659 1.00 74.32 H new ATOM 0 HG22 VAL A 74 -0.028 8.478 9.071 1.00 74.32 H new ATOM 0 HG23 VAL A 74 0.318 9.488 7.647 1.00 74.32 H new ATOM 1183 N ASP A 75 3.512 5.481 7.997 1.00 61.43 N ATOM 1184 CA ASP A 75 4.210 4.302 7.505 1.00 43.51 C ATOM 1185 C ASP A 75 3.226 3.156 7.335 1.00 64.23 C ATOM 1186 O ASP A 75 2.642 2.680 8.312 1.00 50.31 O ATOM 1187 CB ASP A 75 5.323 3.874 8.468 1.00 21.31 C ATOM 1188 CG ASP A 75 6.392 4.930 8.646 1.00 24.42 C ATOM 1189 OD1 ASP A 75 6.155 5.908 9.388 1.00 32.23 O ATOM 1190 OD2 ASP A 75 7.476 4.794 8.044 1.00 40.31 O ATOM 0 H ASP A 75 3.435 5.530 9.013 1.00 61.43 H new ATOM 0 HA ASP A 75 4.660 4.553 6.545 1.00 43.51 H new ATOM 0 HB2 ASP A 75 4.886 3.641 9.439 1.00 21.31 H new ATOM 0 HB3 ASP A 75 5.783 2.958 8.098 1.00 21.31 H new ATOM 1195 N ILE A 76 3.027 2.730 6.102 1.00 4.04 N ATOM 1196 CA ILE A 76 2.140 1.616 5.816 1.00 11.52 C ATOM 1197 C ILE A 76 2.912 0.314 5.956 1.00 63.31 C ATOM 1198 O ILE A 76 3.929 0.107 5.289 1.00 33.41 O ATOM 1199 CB ILE A 76 1.509 1.712 4.402 1.00 4.35 C ATOM 1200 CG1 ILE A 76 0.527 2.887 4.306 1.00 31.02 C ATOM 1201 CG2 ILE A 76 0.794 0.414 4.045 1.00 3.02 C ATOM 1202 CD1 ILE A 76 1.171 4.253 4.315 1.00 5.21 C ATOM 0 H ILE A 76 3.469 3.140 5.279 1.00 4.04 H new ATOM 0 HA ILE A 76 1.320 1.648 6.533 1.00 11.52 H new ATOM 0 HB ILE A 76 2.319 1.882 3.693 1.00 4.35 H new ATOM 0 HG12 ILE A 76 -0.056 2.781 3.391 1.00 31.02 H new ATOM 0 HG13 ILE A 76 -0.174 2.826 5.139 1.00 31.02 H new ATOM 0 HG21 ILE A 76 0.358 0.501 3.050 1.00 3.02 H new ATOM 0 HG22 ILE A 76 1.508 -0.410 4.058 1.00 3.02 H new ATOM 0 HG23 ILE A 76 0.005 0.222 4.772 1.00 3.02 H new ATOM 0 HD11 ILE A 76 0.399 5.020 4.243 1.00 5.21 H new ATOM 0 HD12 ILE A 76 1.730 4.386 5.241 1.00 5.21 H new ATOM 0 HD13 ILE A 76 1.849 4.341 3.466 1.00 5.21 H new ATOM 1214 N ILE A 77 2.435 -0.553 6.834 1.00 63.32 N ATOM 1215 CA ILE A 77 3.169 -1.756 7.182 1.00 55.40 C ATOM 1216 C ILE A 77 2.582 -2.986 6.500 1.00 30.55 C ATOM 1217 O ILE A 77 1.373 -3.222 6.542 1.00 54.53 O ATOM 1218 CB ILE A 77 3.193 -1.962 8.712 1.00 61.40 C ATOM 1219 CG1 ILE A 77 3.774 -0.714 9.386 1.00 20.52 C ATOM 1220 CG2 ILE A 77 4.004 -3.203 9.072 1.00 41.41 C ATOM 1221 CD1 ILE A 77 3.853 -0.809 10.893 1.00 35.11 C ATOM 0 H ILE A 77 1.543 -0.445 7.318 1.00 63.32 H new ATOM 0 HA ILE A 77 4.191 -1.625 6.827 1.00 55.40 H new ATOM 0 HB ILE A 77 2.175 -2.115 9.071 1.00 61.40 H new ATOM 0 HG12 ILE A 77 4.773 -0.532 8.991 1.00 20.52 H new ATOM 0 HG13 ILE A 77 3.164 0.148 9.118 1.00 20.52 H new ATOM 0 HG21 ILE A 77 4.010 -3.332 10.154 1.00 41.41 H new ATOM 0 HG22 ILE A 77 3.555 -4.079 8.604 1.00 41.41 H new ATOM 0 HG23 ILE A 77 5.027 -3.085 8.715 1.00 41.41 H new ATOM 0 HD11 ILE A 77 4.274 0.113 11.294 1.00 35.11 H new ATOM 0 HD12 ILE A 77 2.853 -0.959 11.301 1.00 35.11 H new ATOM 0 HD13 ILE A 77 4.488 -1.650 11.172 1.00 35.11 H new ATOM 1233 N LEU A 78 3.453 -3.752 5.864 1.00 21.20 N ATOM 1234 CA LEU A 78 3.074 -4.999 5.226 1.00 3.42 C ATOM 1235 C LEU A 78 2.979 -6.096 6.281 1.00 13.11 C ATOM 1236 O LEU A 78 3.984 -6.480 6.877 1.00 25.15 O ATOM 1237 CB LEU A 78 4.114 -5.369 4.162 1.00 5.23 C ATOM 1238 CG LEU A 78 3.769 -6.572 3.282 1.00 52.31 C ATOM 1239 CD1 LEU A 78 2.617 -6.242 2.348 1.00 11.41 C ATOM 1240 CD2 LEU A 78 4.984 -7.017 2.487 1.00 62.33 C ATOM 0 H LEU A 78 4.444 -3.525 5.776 1.00 21.20 H new ATOM 0 HA LEU A 78 2.104 -4.887 4.742 1.00 3.42 H new ATOM 0 HB2 LEU A 78 4.270 -4.504 3.517 1.00 5.23 H new ATOM 0 HB3 LEU A 78 5.062 -5.569 4.662 1.00 5.23 H new ATOM 0 HG LEU A 78 3.461 -7.391 3.931 1.00 52.31 H new ATOM 0 HD11 LEU A 78 2.388 -7.111 1.731 1.00 11.41 H new ATOM 0 HD12 LEU A 78 1.739 -5.972 2.935 1.00 11.41 H new ATOM 0 HD13 LEU A 78 2.896 -5.406 1.707 1.00 11.41 H new ATOM 0 HD21 LEU A 78 4.719 -7.874 1.867 1.00 62.33 H new ATOM 0 HD22 LEU A 78 5.322 -6.199 1.851 1.00 62.33 H new ATOM 0 HD23 LEU A 78 5.784 -7.298 3.172 1.00 62.33 H new ATOM 1252 N LEU A 79 1.771 -6.579 6.522 1.00 1.41 N ATOM 1253 CA LEU A 79 1.539 -7.584 7.551 1.00 31.50 C ATOM 1254 C LEU A 79 1.791 -8.982 7.009 1.00 14.31 C ATOM 1255 O LEU A 79 2.283 -9.857 7.723 1.00 64.14 O ATOM 1256 CB LEU A 79 0.108 -7.487 8.083 1.00 3.03 C ATOM 1257 CG LEU A 79 -0.260 -6.154 8.734 1.00 52.25 C ATOM 1258 CD1 LEU A 79 -1.687 -6.202 9.254 1.00 2.53 C ATOM 1259 CD2 LEU A 79 0.708 -5.819 9.861 1.00 71.41 C ATOM 0 H LEU A 79 0.932 -6.291 6.018 1.00 1.41 H new ATOM 0 HA LEU A 79 2.236 -7.394 8.367 1.00 31.50 H new ATOM 0 HB2 LEU A 79 -0.581 -7.672 7.259 1.00 3.03 H new ATOM 0 HB3 LEU A 79 -0.045 -8.283 8.812 1.00 3.03 H new ATOM 0 HG LEU A 79 -0.188 -5.369 7.981 1.00 52.25 H new ATOM 0 HD11 LEU A 79 -1.938 -5.247 9.716 1.00 2.53 H new ATOM 0 HD12 LEU A 79 -2.369 -6.396 8.426 1.00 2.53 H new ATOM 0 HD13 LEU A 79 -1.778 -6.998 9.993 1.00 2.53 H new ATOM 0 HD21 LEU A 79 0.428 -4.866 10.310 1.00 71.41 H new ATOM 0 HD22 LEU A 79 0.670 -6.602 10.618 1.00 71.41 H new ATOM 0 HD23 LEU A 79 1.720 -5.748 9.462 1.00 71.41 H new ATOM 1271 N GLN A 80 1.443 -9.187 5.751 1.00 35.15 N ATOM 1272 CA GLN A 80 1.635 -10.474 5.106 1.00 3.34 C ATOM 1273 C GLN A 80 2.610 -10.328 3.951 1.00 24.25 C ATOM 1274 O GLN A 80 2.453 -9.441 3.112 1.00 52.01 O ATOM 1275 CB GLN A 80 0.296 -10.996 4.585 1.00 60.31 C ATOM 1276 CG GLN A 80 0.381 -12.360 3.924 1.00 53.44 C ATOM 1277 CD GLN A 80 -0.903 -12.750 3.215 1.00 12.44 C ATOM 1278 OE1 GLN A 80 -2.032 -12.262 3.708 1.00 65.01 O flip ATOM 1279 NE2 GLN A 80 -0.877 -13.481 2.223 1.00 73.04 N flip ATOM 0 H GLN A 80 1.024 -8.475 5.153 1.00 35.15 H new ATOM 0 HA GLN A 80 2.039 -11.181 5.831 1.00 3.34 H new ATOM 0 HB2 GLN A 80 -0.409 -11.049 5.414 1.00 60.31 H new ATOM 0 HB3 GLN A 80 -0.107 -10.281 3.868 1.00 60.31 H new ATOM 0 HG2 GLN A 80 1.202 -12.361 3.207 1.00 53.44 H new ATOM 0 HG3 GLN A 80 0.617 -13.110 4.679 1.00 53.44 H new ATOM 0 HE21 GLN A 80 0.013 -13.836 1.874 1.00 73.04 H new ATOM 0 HE22 GLN A 80 -1.746 -13.731 1.751 1.00 73.04 H new ATOM 1288 N ASP A 81 3.596 -11.204 3.886 1.00 33.14 N ATOM 1289 CA ASP A 81 4.569 -11.143 2.813 1.00 23.45 C ATOM 1290 C ASP A 81 4.206 -12.125 1.716 1.00 72.25 C ATOM 1291 O ASP A 81 4.315 -13.341 1.883 1.00 74.32 O ATOM 1292 CB ASP A 81 5.981 -11.414 3.318 1.00 30.54 C ATOM 1293 CG ASP A 81 7.012 -11.179 2.235 1.00 61.54 C ATOM 1294 OD1 ASP A 81 6.743 -10.366 1.323 1.00 62.11 O ATOM 1295 OD2 ASP A 81 8.097 -11.797 2.294 1.00 33.53 O ATOM 0 H ASP A 81 3.743 -11.959 4.556 1.00 33.14 H new ATOM 0 HA ASP A 81 4.550 -10.132 2.407 1.00 23.45 H new ATOM 0 HB2 ASP A 81 6.194 -10.769 4.170 1.00 30.54 H new ATOM 0 HB3 ASP A 81 6.051 -12.443 3.671 1.00 30.54 H new ATOM 1300 N LEU A 82 3.737 -11.584 0.609 1.00 3.20 N ATOM 1301 CA LEU A 82 3.340 -12.383 -0.539 1.00 64.22 C ATOM 1302 C LEU A 82 4.345 -12.226 -1.672 1.00 41.04 C ATOM 1303 O LEU A 82 4.300 -12.943 -2.672 1.00 44.45 O ATOM 1304 CB LEU A 82 1.953 -11.941 -1.017 1.00 63.22 C ATOM 1305 CG LEU A 82 1.503 -12.531 -2.353 1.00 71.01 C ATOM 1306 CD1 LEU A 82 1.242 -14.022 -2.229 1.00 2.42 C ATOM 1307 CD2 LEU A 82 0.280 -11.800 -2.873 1.00 61.32 C ATOM 0 H LEU A 82 3.620 -10.579 0.478 1.00 3.20 H new ATOM 0 HA LEU A 82 3.309 -13.431 -0.242 1.00 64.22 H new ATOM 0 HB2 LEU A 82 1.222 -12.210 -0.255 1.00 63.22 H new ATOM 0 HB3 LEU A 82 1.944 -10.854 -1.097 1.00 63.22 H new ATOM 0 HG LEU A 82 2.308 -12.397 -3.075 1.00 71.01 H new ATOM 0 HD11 LEU A 82 0.923 -14.417 -3.194 1.00 2.42 H new ATOM 0 HD12 LEU A 82 2.156 -14.526 -1.914 1.00 2.42 H new ATOM 0 HD13 LEU A 82 0.460 -14.194 -1.490 1.00 2.42 H new ATOM 0 HD21 LEU A 82 -0.026 -12.234 -3.825 1.00 61.32 H new ATOM 0 HD22 LEU A 82 -0.533 -11.894 -2.153 1.00 61.32 H new ATOM 0 HD23 LEU A 82 0.519 -10.746 -3.015 1.00 61.32 H new ATOM 1319 N GLU A 83 5.264 -11.299 -1.509 1.00 34.45 N ATOM 1320 CA GLU A 83 6.121 -10.908 -2.606 1.00 45.14 C ATOM 1321 C GLU A 83 7.448 -11.672 -2.556 1.00 20.21 C ATOM 1322 O GLU A 83 7.917 -12.047 -1.482 1.00 75.11 O ATOM 1323 CB GLU A 83 6.351 -9.398 -2.545 1.00 53.43 C ATOM 1324 CG GLU A 83 6.415 -8.718 -3.901 1.00 33.43 C ATOM 1325 CD GLU A 83 7.600 -9.162 -4.718 1.00 72.12 C ATOM 1326 OE1 GLU A 83 8.713 -8.684 -4.449 1.00 11.51 O ATOM 1327 OE2 GLU A 83 7.422 -10.012 -5.621 1.00 41.22 O ATOM 0 H GLU A 83 5.436 -10.805 -0.633 1.00 34.45 H new ATOM 0 HA GLU A 83 5.639 -11.157 -3.551 1.00 45.14 H new ATOM 0 HB2 GLU A 83 5.550 -8.944 -1.962 1.00 53.43 H new ATOM 0 HB3 GLU A 83 7.282 -9.206 -2.011 1.00 53.43 H new ATOM 0 HG2 GLU A 83 5.499 -8.929 -4.453 1.00 33.43 H new ATOM 0 HG3 GLU A 83 6.460 -7.638 -3.760 1.00 33.43 H new ATOM 1334 N HIS A 84 8.047 -11.892 -3.719 1.00 74.35 N ATOM 1335 CA HIS A 84 9.281 -12.664 -3.818 1.00 23.23 C ATOM 1336 C HIS A 84 10.326 -11.942 -4.666 1.00 24.23 C ATOM 1337 O HIS A 84 11.516 -11.976 -4.350 1.00 13.44 O ATOM 1338 CB HIS A 84 8.992 -14.042 -4.434 1.00 61.41 C ATOM 1339 CG HIS A 84 10.215 -14.889 -4.661 1.00 53.31 C ATOM 1340 ND1 HIS A 84 11.004 -14.795 -5.792 1.00 74.03 N ATOM 1341 CD2 HIS A 84 10.782 -15.849 -3.895 1.00 1.44 C ATOM 1342 CE1 HIS A 84 11.994 -15.661 -5.709 1.00 55.44 C ATOM 1343 NE2 HIS A 84 11.885 -16.313 -4.570 1.00 23.21 N ATOM 0 H HIS A 84 7.697 -11.545 -4.612 1.00 74.35 H new ATOM 0 HA HIS A 84 9.678 -12.783 -2.810 1.00 23.23 H new ATOM 0 HB2 HIS A 84 8.307 -14.582 -3.781 1.00 61.41 H new ATOM 0 HB3 HIS A 84 8.480 -13.901 -5.386 1.00 61.41 H new ATOM 0 HD1 HIS A 84 10.845 -14.155 -6.570 1.00 74.03 H new ATOM 0 HD2 HIS A 84 10.432 -16.188 -2.931 1.00 1.44 H new ATOM 0 HE1 HIS A 84 12.765 -15.811 -6.450 1.00 55.44 H new ATOM 1352 N HIS A 85 9.868 -11.278 -5.726 1.00 1.45 N ATOM 1353 CA HIS A 85 10.753 -10.810 -6.790 1.00 23.55 C ATOM 1354 C HIS A 85 11.567 -11.978 -7.315 1.00 71.11 C ATOM 1355 O HIS A 85 10.951 -12.987 -7.721 1.00 62.33 O ATOM 1356 CB HIS A 85 11.687 -9.688 -6.316 1.00 35.25 C ATOM 1357 CG HIS A 85 11.080 -8.321 -6.362 1.00 20.23 C ATOM 1358 ND1 HIS A 85 11.141 -7.435 -5.310 1.00 42.05 N ATOM 1359 CD2 HIS A 85 10.418 -7.676 -7.352 1.00 62.04 C ATOM 1360 CE1 HIS A 85 10.544 -6.310 -5.646 1.00 4.23 C ATOM 1361 NE2 HIS A 85 10.099 -6.427 -6.880 1.00 43.01 N ATOM 0 H HIS A 85 8.884 -11.051 -5.871 1.00 1.45 H new ATOM 0 HA HIS A 85 10.133 -10.397 -7.585 1.00 23.55 H new ATOM 0 HB2 HIS A 85 12.000 -9.900 -5.294 1.00 35.25 H new ATOM 0 HB3 HIS A 85 12.586 -9.695 -6.933 1.00 35.25 H new ATOM 0 HD2 HIS A 85 10.185 -8.071 -8.330 1.00 62.04 H new ATOM 0 HE1 HIS A 85 10.437 -5.439 -5.016 1.00 4.23 H new ATOM 0 HE2 HIS A 85 9.599 -5.707 -7.401 1.00 43.01 H new TER 1370 HIS A 85