USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 584 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= 1.34 K(o=0.67,f=-7!) USER MOD Set 1.2: A 27 SER OG : rot -14:sc= -0.664 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= -0.0621 K(o=-0.062,f=-1.5!) USER MOD Single : A 15 HIS : no HD1:sc= 1.07 K(o=1.1,f=-5.7!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 135:sc= 1.22 (180deg=0.997) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 2.25 (180deg=2.09) 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 74:sc= 1.3 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= -0.116 (180deg=-0.627) USER MOD Single : A 54 LYS NZ :NH3+ 144:sc= 1.19 (180deg=0.644) 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 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc=-0.000665 X(o=-0.00067,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -9.242 -5.297 -9.271 1.00 74.30 N ATOM 35 CA VAL A 3 -8.529 -4.963 -8.033 1.00 22.42 C ATOM 36 C VAL A 3 -7.747 -6.155 -7.478 1.00 72.05 C ATOM 37 O VAL A 3 -6.764 -5.984 -6.758 1.00 24.45 O ATOM 38 CB VAL A 3 -9.506 -4.434 -6.956 1.00 2.51 C ATOM 39 CG1 VAL A 3 -10.443 -5.530 -6.465 1.00 51.51 C ATOM 40 CG2 VAL A 3 -8.750 -3.805 -5.794 1.00 0.53 C ATOM 0 HA VAL A 3 -7.815 -4.180 -8.286 1.00 22.42 H new ATOM 0 HB VAL A 3 -10.118 -3.661 -7.421 1.00 2.51 H new ATOM 0 HG11 VAL A 3 -11.115 -5.123 -5.710 1.00 51.51 H new ATOM 0 HG12 VAL A 3 -11.027 -5.911 -7.302 1.00 51.51 H new ATOM 0 HG13 VAL A 3 -9.858 -6.341 -6.031 1.00 51.51 H new ATOM 0 HG21 VAL A 3 -9.461 -3.442 -5.052 1.00 0.53 H new ATOM 0 HG22 VAL A 3 -8.098 -4.550 -5.338 1.00 0.53 H new ATOM 0 HG23 VAL A 3 -8.149 -2.972 -6.159 1.00 0.53 H new ATOM 50 N ASP A 4 -8.179 -7.353 -7.840 1.00 1.21 N ATOM 51 CA ASP A 4 -7.523 -8.579 -7.402 1.00 34.10 C ATOM 52 C ASP A 4 -6.049 -8.596 -7.814 1.00 33.43 C ATOM 53 O ASP A 4 -5.201 -9.110 -7.085 1.00 33.11 O ATOM 54 CB ASP A 4 -8.246 -9.795 -7.983 1.00 32.43 C ATOM 55 CG ASP A 4 -7.800 -11.099 -7.353 1.00 45.53 C ATOM 56 OD1 ASP A 4 -8.252 -11.399 -6.223 1.00 15.15 O ATOM 57 OD2 ASP A 4 -7.026 -11.846 -7.994 1.00 44.10 O ATOM 0 H ASP A 4 -8.989 -7.505 -8.442 1.00 1.21 H new ATOM 0 HA ASP A 4 -7.569 -8.619 -6.314 1.00 34.10 H new ATOM 0 HB2 ASP A 4 -9.320 -9.676 -7.840 1.00 32.43 H new ATOM 0 HB3 ASP A 4 -8.070 -9.837 -9.058 1.00 32.43 H new ATOM 62 N HIS A 5 -5.740 -8.011 -8.972 1.00 33.33 N ATOM 63 CA HIS A 5 -4.368 -7.978 -9.457 1.00 34.51 C ATOM 64 C HIS A 5 -3.629 -6.831 -8.794 1.00 1.23 C ATOM 65 O HIS A 5 -2.444 -6.925 -8.471 1.00 50.13 O ATOM 66 CB HIS A 5 -4.333 -7.822 -10.982 1.00 35.33 C ATOM 67 CG HIS A 5 -2.944 -7.756 -11.545 1.00 63.51 C ATOM 68 ND1 HIS A 5 -2.156 -8.869 -11.729 1.00 24.23 N ATOM 69 CD2 HIS A 5 -2.199 -6.701 -11.954 1.00 2.33 C ATOM 70 CE1 HIS A 5 -0.988 -8.504 -12.223 1.00 61.11 C ATOM 71 NE2 HIS A 5 -0.990 -7.196 -12.370 1.00 4.44 N ATOM 0 H HIS A 5 -6.418 -7.558 -9.584 1.00 33.33 H new ATOM 0 HA HIS A 5 -3.880 -8.919 -9.204 1.00 34.51 H new ATOM 0 HB2 HIS A 5 -4.862 -8.660 -11.437 1.00 35.33 H new ATOM 0 HB3 HIS A 5 -4.872 -6.916 -11.259 1.00 35.33 H new ATOM 0 HD2 HIS A 5 -2.501 -5.664 -11.953 1.00 2.33 H new ATOM 0 HE1 HIS A 5 -0.170 -9.166 -12.465 1.00 61.11 H new ATOM 0 HE2 HIS A 5 -0.217 -6.640 -12.735 1.00 4.44 H new ATOM 80 N GLU A 6 -4.363 -5.755 -8.600 1.00 72.13 N ATOM 81 CA GLU A 6 -3.837 -4.529 -8.035 1.00 1.12 C ATOM 82 C GLU A 6 -3.299 -4.753 -6.632 1.00 3.42 C ATOM 83 O GLU A 6 -2.284 -4.176 -6.248 1.00 23.31 O ATOM 84 CB GLU A 6 -4.936 -3.474 -8.020 1.00 41.44 C ATOM 85 CG GLU A 6 -5.138 -2.766 -9.352 1.00 52.54 C ATOM 86 CD GLU A 6 -5.443 -3.675 -10.530 1.00 63.24 C ATOM 87 OE1 GLU A 6 -4.535 -4.399 -10.992 1.00 54.21 O ATOM 88 OE2 GLU A 6 -6.578 -3.629 -11.037 1.00 64.12 O ATOM 0 H GLU A 6 -5.355 -5.706 -8.833 1.00 72.13 H new ATOM 0 HA GLU A 6 -3.007 -4.187 -8.653 1.00 1.12 H new ATOM 0 HB2 GLU A 6 -5.874 -3.946 -7.726 1.00 41.44 H new ATOM 0 HB3 GLU A 6 -4.701 -2.731 -7.258 1.00 41.44 H new ATOM 0 HG2 GLU A 6 -5.954 -2.051 -9.245 1.00 52.54 H new ATOM 0 HG3 GLU A 6 -4.240 -2.192 -9.580 1.00 52.54 H new ATOM 95 N VAL A 7 -3.986 -5.592 -5.874 1.00 42.53 N ATOM 96 CA VAL A 7 -3.541 -5.957 -4.533 1.00 52.15 C ATOM 97 C VAL A 7 -2.123 -6.534 -4.565 1.00 12.23 C ATOM 98 O VAL A 7 -1.262 -6.133 -3.781 1.00 1.05 O ATOM 99 CB VAL A 7 -4.498 -6.976 -3.877 1.00 44.21 C ATOM 100 CG1 VAL A 7 -4.006 -7.375 -2.495 1.00 3.24 C ATOM 101 CG2 VAL A 7 -5.904 -6.407 -3.795 1.00 53.52 C ATOM 0 H VAL A 7 -4.858 -6.036 -6.163 1.00 42.53 H new ATOM 0 HA VAL A 7 -3.543 -5.045 -3.936 1.00 52.15 H new ATOM 0 HB VAL A 7 -4.519 -7.870 -4.500 1.00 44.21 H new ATOM 0 HG11 VAL A 7 -4.698 -8.093 -2.056 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -3.018 -7.827 -2.577 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -3.949 -6.491 -1.860 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -6.566 -7.138 -3.330 1.00 53.52 H new ATOM 0 HG22 VAL A 7 -5.893 -5.495 -3.197 1.00 53.52 H new ATOM 0 HG23 VAL A 7 -6.263 -6.179 -4.798 1.00 53.52 H new ATOM 111 N ASN A 8 -1.882 -7.460 -5.487 1.00 43.45 N ATOM 112 CA ASN A 8 -0.566 -8.082 -5.615 1.00 45.24 C ATOM 113 C ASN A 8 0.436 -7.114 -6.224 1.00 33.30 C ATOM 114 O ASN A 8 1.622 -7.168 -5.918 1.00 1.44 O ATOM 115 CB ASN A 8 -0.633 -9.375 -6.432 1.00 30.12 C ATOM 116 CG ASN A 8 -1.310 -10.495 -5.664 1.00 5.43 C ATOM 117 OD1 ASN A 8 -1.282 -10.521 -4.432 1.00 31.42 O ATOM 118 ND2 ASN A 8 -1.906 -11.439 -6.375 1.00 62.55 N ATOM 0 H ASN A 8 -2.576 -7.796 -6.155 1.00 43.45 H new ATOM 0 HA ASN A 8 -0.228 -8.340 -4.611 1.00 45.24 H new ATOM 0 HB2 ASN A 8 -1.176 -9.191 -7.359 1.00 30.12 H new ATOM 0 HB3 ASN A 8 0.376 -9.682 -6.709 1.00 30.12 H new ATOM 0 HD21 ASN A 8 -2.362 -12.221 -5.904 1.00 62.55 H new ATOM 0 HD22 ASN A 8 -1.909 -11.385 -7.394 1.00 62.55 H new ATOM 125 N LEU A 9 -0.042 -6.222 -7.081 1.00 54.20 N ATOM 126 CA LEU A 9 0.800 -5.168 -7.622 1.00 72.54 C ATOM 127 C LEU A 9 1.279 -4.268 -6.489 1.00 11.34 C ATOM 128 O LEU A 9 2.452 -3.909 -6.412 1.00 72.40 O ATOM 129 CB LEU A 9 0.025 -4.352 -8.658 1.00 63.23 C ATOM 130 CG LEU A 9 0.761 -3.131 -9.206 1.00 73.32 C ATOM 131 CD1 LEU A 9 1.983 -3.552 -10.009 1.00 53.33 C ATOM 132 CD2 LEU A 9 -0.177 -2.284 -10.048 1.00 51.31 C ATOM 0 H LEU A 9 -1.006 -6.208 -7.415 1.00 54.20 H new ATOM 0 HA LEU A 9 1.665 -5.615 -8.113 1.00 72.54 H new ATOM 0 HB2 LEU A 9 -0.234 -5.005 -9.492 1.00 63.23 H new ATOM 0 HB3 LEU A 9 -0.912 -4.021 -8.210 1.00 63.23 H new ATOM 0 HG LEU A 9 1.105 -2.529 -8.365 1.00 73.32 H new ATOM 0 HD11 LEU A 9 2.491 -2.666 -10.389 1.00 53.33 H new ATOM 0 HD12 LEU A 9 2.663 -4.114 -9.369 1.00 53.33 H new ATOM 0 HD13 LEU A 9 1.671 -4.178 -10.845 1.00 53.33 H new ATOM 0 HD21 LEU A 9 0.361 -1.417 -10.432 1.00 51.31 H new ATOM 0 HD22 LEU A 9 -0.553 -2.877 -10.882 1.00 51.31 H new ATOM 0 HD23 LEU A 9 -1.014 -1.949 -9.435 1.00 51.31 H new ATOM 144 N LEU A 10 0.350 -3.939 -5.598 1.00 21.32 N ATOM 145 CA LEU A 10 0.630 -3.101 -4.441 1.00 71.41 C ATOM 146 C LEU A 10 1.740 -3.703 -3.585 1.00 62.03 C ATOM 147 O LEU A 10 2.716 -3.031 -3.262 1.00 41.42 O ATOM 148 CB LEU A 10 -0.643 -2.933 -3.604 1.00 52.15 C ATOM 149 CG LEU A 10 -0.506 -2.052 -2.360 1.00 20.52 C ATOM 150 CD1 LEU A 10 -0.259 -0.603 -2.755 1.00 53.44 C ATOM 151 CD2 LEU A 10 -1.748 -2.169 -1.487 1.00 5.23 C ATOM 0 H LEU A 10 -0.620 -4.247 -5.659 1.00 21.32 H new ATOM 0 HA LEU A 10 0.965 -2.126 -4.795 1.00 71.41 H new ATOM 0 HB2 LEU A 10 -1.422 -2.513 -4.240 1.00 52.15 H new ATOM 0 HB3 LEU A 10 -0.984 -3.920 -3.292 1.00 52.15 H new ATOM 0 HG LEU A 10 0.352 -2.398 -1.784 1.00 20.52 H new ATOM 0 HD11 LEU A 10 -0.164 0.008 -1.857 1.00 53.44 H new ATOM 0 HD12 LEU A 10 0.660 -0.536 -3.338 1.00 53.44 H new ATOM 0 HD13 LEU A 10 -1.095 -0.241 -3.353 1.00 53.44 H new ATOM 0 HD21 LEU A 10 -1.635 -1.537 -0.607 1.00 5.23 H new ATOM 0 HD22 LEU A 10 -2.622 -1.849 -2.054 1.00 5.23 H new ATOM 0 HD23 LEU A 10 -1.877 -3.205 -1.175 1.00 5.23 H new ATOM 163 N VAL A 11 1.596 -4.978 -3.239 1.00 72.42 N ATOM 164 CA VAL A 11 2.558 -5.635 -2.358 1.00 50.34 C ATOM 165 C VAL A 11 3.941 -5.730 -3.005 1.00 75.32 C ATOM 166 O VAL A 11 4.961 -5.715 -2.311 1.00 43.45 O ATOM 167 CB VAL A 11 2.083 -7.034 -1.901 1.00 34.40 C ATOM 168 CG1 VAL A 11 0.739 -6.934 -1.201 1.00 0.33 C ATOM 169 CG2 VAL A 11 2.008 -8.013 -3.059 1.00 70.44 C ATOM 0 H VAL A 11 0.829 -5.574 -3.552 1.00 72.42 H new ATOM 0 HA VAL A 11 2.633 -5.007 -1.470 1.00 50.34 H new ATOM 0 HB VAL A 11 2.822 -7.418 -1.197 1.00 34.40 H new ATOM 0 HG11 VAL A 11 0.418 -7.927 -0.885 1.00 0.33 H new ATOM 0 HG12 VAL A 11 0.831 -6.288 -0.328 1.00 0.33 H new ATOM 0 HG13 VAL A 11 0.002 -6.516 -1.886 1.00 0.33 H new ATOM 0 HG21 VAL A 11 1.670 -8.983 -2.694 1.00 70.44 H new ATOM 0 HG22 VAL A 11 1.305 -7.641 -3.805 1.00 70.44 H new ATOM 0 HG23 VAL A 11 2.994 -8.119 -3.511 1.00 70.44 H new ATOM 179 N GLU A 12 3.977 -5.818 -4.333 1.00 4.51 N ATOM 180 CA GLU A 12 5.242 -5.816 -5.054 1.00 71.34 C ATOM 181 C GLU A 12 5.888 -4.435 -4.974 1.00 11.45 C ATOM 182 O GLU A 12 7.068 -4.309 -4.640 1.00 11.54 O ATOM 183 CB GLU A 12 5.049 -6.229 -6.519 1.00 65.24 C ATOM 184 CG GLU A 12 4.583 -7.667 -6.696 1.00 72.50 C ATOM 185 CD GLU A 12 4.720 -8.165 -8.120 1.00 21.51 C ATOM 186 OE1 GLU A 12 3.809 -7.920 -8.936 1.00 71.11 O ATOM 187 OE2 GLU A 12 5.748 -8.813 -8.431 1.00 45.51 O ATOM 0 H GLU A 12 3.150 -5.891 -4.925 1.00 4.51 H new ATOM 0 HA GLU A 12 5.901 -6.547 -4.585 1.00 71.34 H new ATOM 0 HB2 GLU A 12 4.322 -5.562 -6.982 1.00 65.24 H new ATOM 0 HB3 GLU A 12 5.990 -6.094 -7.052 1.00 65.24 H new ATOM 0 HG2 GLU A 12 5.159 -8.313 -6.034 1.00 72.50 H new ATOM 0 HG3 GLU A 12 3.540 -7.745 -6.389 1.00 72.50 H new ATOM 194 N GLU A 13 5.101 -3.401 -5.250 1.00 44.01 N ATOM 195 CA GLU A 13 5.589 -2.026 -5.186 1.00 71.34 C ATOM 196 C GLU A 13 6.070 -1.687 -3.777 1.00 71.32 C ATOM 197 O GLU A 13 7.102 -1.037 -3.603 1.00 65.31 O ATOM 198 CB GLU A 13 4.497 -1.047 -5.629 1.00 60.34 C ATOM 199 CG GLU A 13 4.012 -1.279 -7.052 1.00 44.54 C ATOM 200 CD GLU A 13 5.111 -1.111 -8.084 1.00 24.54 C ATOM 201 OE1 GLU A 13 6.010 -1.973 -8.154 1.00 74.34 O ATOM 202 OE2 GLU A 13 5.080 -0.117 -8.831 1.00 50.11 O ATOM 0 H GLU A 13 4.121 -3.488 -5.521 1.00 44.01 H new ATOM 0 HA GLU A 13 6.435 -1.933 -5.867 1.00 71.34 H new ATOM 0 HB2 GLU A 13 3.650 -1.128 -4.948 1.00 60.34 H new ATOM 0 HB3 GLU A 13 4.878 -0.029 -5.545 1.00 60.34 H new ATOM 0 HG2 GLU A 13 3.598 -2.284 -7.130 1.00 44.54 H new ATOM 0 HG3 GLU A 13 3.203 -0.583 -7.273 1.00 44.54 H new ATOM 209 N ILE A 14 5.327 -2.150 -2.778 1.00 55.34 N ATOM 210 CA ILE A 14 5.711 -1.972 -1.379 1.00 30.11 C ATOM 211 C ILE A 14 7.022 -2.702 -1.084 1.00 41.14 C ATOM 212 O ILE A 14 7.824 -2.250 -0.274 1.00 2.35 O ATOM 213 CB ILE A 14 4.605 -2.467 -0.415 1.00 53.44 C ATOM 214 CG1 ILE A 14 3.329 -1.641 -0.611 1.00 70.24 C ATOM 215 CG2 ILE A 14 5.073 -2.379 1.035 1.00 64.41 C ATOM 216 CD1 ILE A 14 2.157 -2.130 0.211 1.00 12.24 C ATOM 0 H ILE A 14 4.450 -2.654 -2.910 1.00 55.34 H new ATOM 0 HA ILE A 14 5.850 -0.904 -1.214 1.00 30.11 H new ATOM 0 HB ILE A 14 4.390 -3.511 -0.642 1.00 53.44 H new ATOM 0 HG12 ILE A 14 3.535 -0.603 -0.352 1.00 70.24 H new ATOM 0 HG13 ILE A 14 3.054 -1.658 -1.666 1.00 70.24 H new ATOM 0 HG21 ILE A 14 4.281 -2.732 1.695 1.00 64.41 H new ATOM 0 HG22 ILE A 14 5.960 -2.998 1.169 1.00 64.41 H new ATOM 0 HG23 ILE A 14 5.313 -1.344 1.278 1.00 64.41 H new ATOM 0 HD11 ILE A 14 1.290 -1.497 0.021 1.00 12.24 H new ATOM 0 HD12 ILE A 14 1.923 -3.158 -0.064 1.00 12.24 H new ATOM 0 HD13 ILE A 14 2.412 -2.087 1.270 1.00 12.24 H new ATOM 228 N HIS A 15 7.241 -3.825 -1.753 1.00 42.24 N ATOM 229 CA HIS A 15 8.475 -4.582 -1.575 1.00 34.31 C ATOM 230 C HIS A 15 9.686 -3.786 -2.054 1.00 64.53 C ATOM 231 O HIS A 15 10.770 -3.893 -1.480 1.00 61.03 O ATOM 232 CB HIS A 15 8.412 -5.923 -2.307 1.00 72.43 C ATOM 233 CG HIS A 15 8.300 -7.100 -1.387 1.00 21.44 C ATOM 234 ND1 HIS A 15 9.398 -7.766 -0.882 1.00 14.24 N ATOM 235 CD2 HIS A 15 7.217 -7.733 -0.877 1.00 4.10 C ATOM 236 CE1 HIS A 15 8.995 -8.752 -0.106 1.00 54.10 C ATOM 237 NE2 HIS A 15 7.678 -8.755 -0.084 1.00 62.34 N ATOM 0 H HIS A 15 6.586 -4.231 -2.421 1.00 42.24 H new ATOM 0 HA HIS A 15 8.584 -4.773 -0.507 1.00 34.31 H new ATOM 0 HB2 HIS A 15 7.558 -5.919 -2.984 1.00 72.43 H new ATOM 0 HB3 HIS A 15 9.306 -6.035 -2.921 1.00 72.43 H new ATOM 0 HD2 HIS A 15 6.183 -7.481 -1.060 1.00 4.10 H new ATOM 0 HE1 HIS A 15 9.636 -9.441 0.423 1.00 54.10 H new ATOM 0 HE2 HIS A 15 7.095 -9.410 0.437 1.00 62.34 H new ATOM 246 N ARG A 16 9.509 -2.995 -3.107 1.00 72.20 N ATOM 247 CA ARG A 16 10.602 -2.175 -3.626 1.00 45.34 C ATOM 248 C ARG A 16 10.695 -0.820 -2.919 1.00 3.31 C ATOM 249 O ARG A 16 11.784 -0.384 -2.552 1.00 72.34 O ATOM 250 CB ARG A 16 10.476 -1.965 -5.139 1.00 20.31 C ATOM 251 CG ARG A 16 10.980 -3.136 -5.974 1.00 33.51 C ATOM 252 CD ARG A 16 9.946 -4.245 -6.107 1.00 14.41 C ATOM 253 NE ARG A 16 8.832 -3.854 -6.971 1.00 33.40 N ATOM 254 CZ ARG A 16 8.234 -4.674 -7.839 1.00 41.12 C ATOM 255 NH1 ARG A 16 8.633 -5.936 -7.952 1.00 21.05 N ATOM 256 NH2 ARG A 16 7.221 -4.235 -8.574 1.00 72.33 N ATOM 0 H ARG A 16 8.629 -2.903 -3.615 1.00 72.20 H new ATOM 0 HA ARG A 16 11.521 -2.725 -3.423 1.00 45.34 H new ATOM 0 HB2 ARG A 16 9.430 -1.782 -5.384 1.00 20.31 H new ATOM 0 HB3 ARG A 16 11.030 -1.069 -5.418 1.00 20.31 H new ATOM 0 HG2 ARG A 16 11.254 -2.779 -6.967 1.00 33.51 H new ATOM 0 HG3 ARG A 16 11.885 -3.540 -5.519 1.00 33.51 H new ATOM 0 HD2 ARG A 16 10.422 -5.138 -6.511 1.00 14.41 H new ATOM 0 HD3 ARG A 16 9.565 -4.506 -5.120 1.00 14.41 H new ATOM 0 HE ARG A 16 8.491 -2.895 -6.906 1.00 33.40 H new ATOM 0 HH11 ARG A 16 9.399 -6.282 -7.374 1.00 21.05 H new ATOM 0 HH12 ARG A 16 8.173 -6.559 -8.616 1.00 21.05 H new ATOM 0 HH21 ARG A 16 6.899 -3.272 -8.476 1.00 72.33 H new ATOM 0 HH22 ARG A 16 6.764 -4.860 -9.237 1.00 72.33 H new ATOM 270 N LEU A 17 9.563 -0.152 -2.736 1.00 34.30 N ATOM 271 CA LEU A 17 9.551 1.191 -2.150 1.00 71.31 C ATOM 272 C LEU A 17 9.631 1.151 -0.626 1.00 71.21 C ATOM 273 O LEU A 17 10.060 2.115 0.006 1.00 40.05 O ATOM 274 CB LEU A 17 8.285 1.951 -2.564 1.00 23.15 C ATOM 275 CG LEU A 17 8.167 2.281 -4.052 1.00 24.05 C ATOM 276 CD1 LEU A 17 6.864 3.016 -4.325 1.00 63.03 C ATOM 277 CD2 LEU A 17 9.354 3.114 -4.507 1.00 63.53 C ATOM 0 H LEU A 17 8.642 -0.513 -2.983 1.00 34.30 H new ATOM 0 HA LEU A 17 10.433 1.707 -2.529 1.00 71.31 H new ATOM 0 HB2 LEU A 17 7.417 1.360 -2.272 1.00 23.15 H new ATOM 0 HB3 LEU A 17 8.242 2.882 -1.999 1.00 23.15 H new ATOM 0 HG LEU A 17 8.165 1.349 -4.617 1.00 24.05 H new ATOM 0 HD11 LEU A 17 6.792 3.246 -5.388 1.00 63.03 H new ATOM 0 HD12 LEU A 17 6.023 2.387 -4.031 1.00 63.03 H new ATOM 0 HD13 LEU A 17 6.842 3.943 -3.751 1.00 63.03 H new ATOM 0 HD21 LEU A 17 9.254 3.340 -5.569 1.00 63.53 H new ATOM 0 HD22 LEU A 17 9.385 4.044 -3.939 1.00 63.53 H new ATOM 0 HD23 LEU A 17 10.275 2.556 -4.340 1.00 63.53 H new ATOM 289 N GLY A 18 9.219 0.039 -0.043 1.00 64.35 N ATOM 290 CA GLY A 18 9.115 -0.055 1.395 1.00 30.25 C ATOM 291 C GLY A 18 10.431 -0.362 2.068 1.00 42.21 C ATOM 292 O GLY A 18 11.310 -0.997 1.489 1.00 31.23 O ATOM 0 H GLY A 18 8.952 -0.808 -0.546 1.00 64.35 H new ATOM 0 HA2 GLY A 18 8.725 0.884 1.787 1.00 30.25 H new ATOM 0 HA3 GLY A 18 8.394 -0.831 1.651 1.00 30.25 H new ATOM 296 N SER A 19 10.552 0.097 3.295 1.00 34.04 N ATOM 297 CA SER A 19 11.729 -0.140 4.110 1.00 44.13 C ATOM 298 C SER A 19 11.311 -0.853 5.394 1.00 2.50 C ATOM 299 O SER A 19 10.177 -0.707 5.838 1.00 34.44 O ATOM 300 CB SER A 19 12.402 1.195 4.424 1.00 22.43 C ATOM 301 OG SER A 19 12.621 1.938 3.236 1.00 22.20 O ATOM 0 H SER A 19 9.832 0.650 3.761 1.00 34.04 H new ATOM 0 HA SER A 19 12.440 -0.769 3.575 1.00 44.13 H new ATOM 0 HB2 SER A 19 11.779 1.770 5.109 1.00 22.43 H new ATOM 0 HB3 SER A 19 13.352 1.019 4.929 1.00 22.43 H new ATOM 0 HG SER A 19 13.051 2.790 3.458 1.00 22.20 H new ATOM 307 N LYS A 20 12.211 -1.621 5.992 1.00 54.14 N ATOM 308 CA LYS A 20 11.851 -2.430 7.153 1.00 74.41 C ATOM 309 C LYS A 20 11.765 -1.596 8.418 1.00 53.15 C ATOM 310 O LYS A 20 12.661 -0.811 8.728 1.00 43.44 O ATOM 311 CB LYS A 20 12.839 -3.575 7.363 1.00 5.20 C ATOM 312 CG LYS A 20 12.689 -4.693 6.349 1.00 53.54 C ATOM 313 CD LYS A 20 13.660 -5.833 6.620 1.00 14.20 C ATOM 314 CE LYS A 20 15.106 -5.375 6.539 1.00 2.53 C ATOM 315 NZ LYS A 20 16.044 -6.452 6.941 1.00 73.41 N ATOM 0 H LYS A 20 13.185 -1.702 5.699 1.00 54.14 H new ATOM 0 HA LYS A 20 10.865 -2.847 6.946 1.00 74.41 H new ATOM 0 HB2 LYS A 20 13.855 -3.183 7.313 1.00 5.20 H new ATOM 0 HB3 LYS A 20 12.704 -3.983 8.365 1.00 5.20 H new ATOM 0 HG2 LYS A 20 11.667 -5.072 6.373 1.00 53.54 H new ATOM 0 HG3 LYS A 20 12.859 -4.300 5.347 1.00 53.54 H new ATOM 0 HD2 LYS A 20 13.465 -6.249 7.609 1.00 14.20 H new ATOM 0 HD3 LYS A 20 13.491 -6.633 5.899 1.00 14.20 H new ATOM 0 HE2 LYS A 20 15.331 -5.057 5.521 1.00 2.53 H new ATOM 0 HE3 LYS A 20 15.250 -4.507 7.183 1.00 2.53 H new ATOM 0 HZ1 LYS A 20 17.022 -6.104 6.874 1.00 73.41 H new ATOM 0 HZ2 LYS A 20 15.845 -6.738 7.921 1.00 73.41 H new ATOM 0 HZ3 LYS A 20 15.924 -7.270 6.311 1.00 73.41 H new ATOM 329 N ASN A 21 10.671 -1.771 9.138 1.00 61.32 N ATOM 330 CA ASN A 21 10.485 -1.111 10.423 1.00 33.14 C ATOM 331 C ASN A 21 11.060 -1.985 11.534 1.00 14.23 C ATOM 332 O ASN A 21 11.667 -3.021 11.259 1.00 60.33 O ATOM 333 CB ASN A 21 9.001 -0.794 10.677 1.00 65.13 C ATOM 334 CG ASN A 21 8.157 -2.010 11.017 1.00 4.21 C ATOM 335 OD1 ASN A 21 8.046 -2.395 12.179 1.00 64.10 O ATOM 336 ND2 ASN A 21 7.527 -2.603 10.018 1.00 3.01 N ATOM 0 H ASN A 21 9.893 -2.367 8.855 1.00 61.32 H new ATOM 0 HA ASN A 21 11.018 -0.160 10.410 1.00 33.14 H new ATOM 0 HB2 ASN A 21 8.929 -0.075 11.493 1.00 65.13 H new ATOM 0 HB3 ASN A 21 8.586 -0.313 9.791 1.00 65.13 H new ATOM 0 HD21 ASN A 21 6.926 -3.407 10.200 1.00 3.01 H new ATOM 0 HD22 ASN A 21 7.642 -2.257 9.065 1.00 3.01 H new ATOM 343 N ALA A 22 10.854 -1.576 12.780 1.00 2.31 N ATOM 344 CA ALA A 22 11.429 -2.265 13.933 1.00 53.53 C ATOM 345 C ALA A 22 10.970 -3.719 14.031 1.00 3.12 C ATOM 346 O ALA A 22 11.688 -4.573 14.549 1.00 44.43 O ATOM 347 CB ALA A 22 11.070 -1.517 15.204 1.00 42.15 C ATOM 0 H ALA A 22 10.288 -0.763 13.021 1.00 2.31 H new ATOM 0 HA ALA A 22 12.511 -2.280 13.802 1.00 53.53 H new ATOM 0 HB1 ALA A 22 11.500 -2.032 16.063 1.00 42.15 H new ATOM 0 HB2 ALA A 22 11.466 -0.503 15.154 1.00 42.15 H new ATOM 0 HB3 ALA A 22 9.986 -1.478 15.309 1.00 42.15 H new ATOM 353 N ASP A 23 9.780 -3.994 13.520 1.00 31.03 N ATOM 354 CA ASP A 23 9.203 -5.334 13.578 1.00 3.15 C ATOM 355 C ASP A 23 9.803 -6.237 12.495 1.00 73.11 C ATOM 356 O ASP A 23 9.468 -7.413 12.390 1.00 24.51 O ATOM 357 CB ASP A 23 7.678 -5.243 13.427 1.00 1.04 C ATOM 358 CG ASP A 23 6.972 -6.562 13.661 1.00 32.32 C ATOM 359 OD1 ASP A 23 7.052 -7.099 14.787 1.00 21.53 O ATOM 360 OD2 ASP A 23 6.310 -7.058 12.728 1.00 51.13 O ATOM 0 H ASP A 23 9.189 -3.304 13.057 1.00 31.03 H new ATOM 0 HA ASP A 23 9.440 -5.778 14.545 1.00 3.15 H new ATOM 0 HB2 ASP A 23 7.294 -4.504 14.130 1.00 1.04 H new ATOM 0 HB3 ASP A 23 7.440 -4.884 12.426 1.00 1.04 H new ATOM 365 N GLY A 24 10.692 -5.672 11.683 1.00 20.21 N ATOM 366 CA GLY A 24 11.388 -6.451 10.673 1.00 70.42 C ATOM 367 C GLY A 24 10.611 -6.566 9.377 1.00 45.40 C ATOM 368 O GLY A 24 11.082 -7.162 8.412 1.00 2.11 O ATOM 0 H GLY A 24 10.944 -4.684 11.707 1.00 20.21 H new ATOM 0 HA2 GLY A 24 12.356 -5.992 10.471 1.00 70.42 H new ATOM 0 HA3 GLY A 24 11.584 -7.450 11.063 1.00 70.42 H new ATOM 372 N LYS A 25 9.425 -5.978 9.348 1.00 40.32 N ATOM 373 CA LYS A 25 8.571 -6.051 8.173 1.00 14.44 C ATOM 374 C LYS A 25 8.703 -4.793 7.328 1.00 70.05 C ATOM 375 O LYS A 25 9.037 -3.719 7.839 1.00 54.03 O ATOM 376 CB LYS A 25 7.112 -6.259 8.588 1.00 32.10 C ATOM 377 CG LYS A 25 6.855 -7.602 9.254 1.00 31.41 C ATOM 378 CD LYS A 25 5.404 -7.737 9.688 1.00 12.24 C ATOM 379 CE LYS A 25 5.121 -9.098 10.308 1.00 23.34 C ATOM 380 NZ LYS A 25 5.995 -9.370 11.482 1.00 22.21 N ATOM 0 H LYS A 25 9.032 -5.445 10.124 1.00 40.32 H new ATOM 0 HA LYS A 25 8.891 -6.902 7.572 1.00 14.44 H new ATOM 0 HB2 LYS A 25 6.820 -5.462 9.272 1.00 32.10 H new ATOM 0 HB3 LYS A 25 6.476 -6.172 7.707 1.00 32.10 H new ATOM 0 HG2 LYS A 25 7.106 -8.407 8.563 1.00 31.41 H new ATOM 0 HG3 LYS A 25 7.507 -7.711 10.120 1.00 31.41 H new ATOM 0 HD2 LYS A 25 5.166 -6.954 10.408 1.00 12.24 H new ATOM 0 HD3 LYS A 25 4.752 -7.588 8.827 1.00 12.24 H new ATOM 0 HE2 LYS A 25 4.076 -9.146 10.615 1.00 23.34 H new ATOM 0 HE3 LYS A 25 5.269 -9.875 9.558 1.00 23.34 H new ATOM 0 HZ1 LYS A 25 5.423 -9.762 12.257 1.00 22.21 H new ATOM 0 HZ2 LYS A 25 6.732 -10.054 11.215 1.00 22.21 H new ATOM 0 HZ3 LYS A 25 6.441 -8.484 11.795 1.00 22.21 H new ATOM 394 N LEU A 26 8.447 -4.931 6.036 1.00 11.11 N ATOM 395 CA LEU A 26 8.534 -3.812 5.110 1.00 10.32 C ATOM 396 C LEU A 26 7.372 -2.851 5.306 1.00 45.44 C ATOM 397 O LEU A 26 6.225 -3.262 5.482 1.00 11.15 O ATOM 398 CB LEU A 26 8.557 -4.310 3.664 1.00 42.44 C ATOM 399 CG LEU A 26 9.815 -5.079 3.259 1.00 3.02 C ATOM 400 CD1 LEU A 26 9.634 -5.701 1.886 1.00 34.14 C ATOM 401 CD2 LEU A 26 11.027 -4.161 3.266 1.00 15.55 C ATOM 0 H LEU A 26 8.175 -5.814 5.603 1.00 11.11 H new ATOM 0 HA LEU A 26 9.463 -3.281 5.317 1.00 10.32 H new ATOM 0 HB2 LEU A 26 7.691 -4.952 3.504 1.00 42.44 H new ATOM 0 HB3 LEU A 26 8.445 -3.453 3.000 1.00 42.44 H new ATOM 0 HG LEU A 26 9.980 -5.875 3.985 1.00 3.02 H new ATOM 0 HD11 LEU A 26 10.538 -6.245 1.611 1.00 34.14 H new ATOM 0 HD12 LEU A 26 8.788 -6.389 1.907 1.00 34.14 H new ATOM 0 HD13 LEU A 26 9.446 -4.916 1.153 1.00 34.14 H new ATOM 0 HD21 LEU A 26 11.913 -4.726 2.975 1.00 15.55 H new ATOM 0 HD22 LEU A 26 10.869 -3.345 2.561 1.00 15.55 H new ATOM 0 HD23 LEU A 26 11.169 -3.753 4.267 1.00 15.55 H new ATOM 413 N SER A 27 7.685 -1.572 5.314 1.00 43.22 N ATOM 414 CA SER A 27 6.682 -0.537 5.434 1.00 62.33 C ATOM 415 C SER A 27 7.073 0.662 4.580 1.00 30.15 C ATOM 416 O SER A 27 8.251 1.007 4.490 1.00 14.32 O ATOM 417 CB SER A 27 6.554 -0.127 6.899 1.00 11.33 C ATOM 418 OG SER A 27 6.396 -1.269 7.723 1.00 75.12 O ATOM 0 H SER A 27 8.640 -1.222 5.238 1.00 43.22 H new ATOM 0 HA SER A 27 5.721 -0.914 5.084 1.00 62.33 H new ATOM 0 HB2 SER A 27 7.440 0.430 7.205 1.00 11.33 H new ATOM 0 HB3 SER A 27 5.700 0.539 7.023 1.00 11.33 H new ATOM 0 HG SER A 27 6.173 -2.045 7.167 1.00 75.12 H new ATOM 424 N VAL A 28 6.096 1.293 3.954 1.00 51.22 N ATOM 425 CA VAL A 28 6.357 2.471 3.143 1.00 30.12 C ATOM 426 C VAL A 28 5.351 3.564 3.475 1.00 45.14 C ATOM 427 O VAL A 28 4.164 3.293 3.630 1.00 11.21 O ATOM 428 CB VAL A 28 6.307 2.140 1.628 1.00 51.24 C ATOM 429 CG1 VAL A 28 4.958 1.556 1.232 1.00 32.14 C ATOM 430 CG2 VAL A 28 6.628 3.367 0.787 1.00 20.23 C ATOM 0 H VAL A 28 5.116 1.011 3.991 1.00 51.22 H new ATOM 0 HA VAL A 28 7.362 2.823 3.374 1.00 30.12 H new ATOM 0 HB VAL A 28 7.070 1.386 1.434 1.00 51.24 H new ATOM 0 HG11 VAL A 28 4.956 1.335 0.165 1.00 32.14 H new ATOM 0 HG12 VAL A 28 4.780 0.638 1.793 1.00 32.14 H new ATOM 0 HG13 VAL A 28 4.170 2.276 1.455 1.00 32.14 H new ATOM 0 HG21 VAL A 28 6.585 3.105 -0.270 1.00 20.23 H new ATOM 0 HG22 VAL A 28 5.901 4.152 0.996 1.00 20.23 H new ATOM 0 HG23 VAL A 28 7.628 3.725 1.032 1.00 20.23 H new ATOM 440 N LYS A 29 5.826 4.791 3.600 1.00 64.35 N ATOM 441 CA LYS A 29 4.951 5.906 3.924 1.00 43.14 C ATOM 442 C LYS A 29 4.046 6.243 2.746 1.00 0.13 C ATOM 443 O LYS A 29 4.472 6.195 1.589 1.00 63.41 O ATOM 444 CB LYS A 29 5.769 7.128 4.344 1.00 62.33 C ATOM 445 CG LYS A 29 6.515 6.930 5.651 1.00 2.13 C ATOM 446 CD LYS A 29 7.297 8.168 6.042 1.00 63.31 C ATOM 447 CE LYS A 29 8.009 7.980 7.376 1.00 0.53 C ATOM 448 NZ LYS A 29 7.055 7.820 8.509 1.00 51.43 N ATOM 0 H LYS A 29 6.808 5.041 3.483 1.00 64.35 H new ATOM 0 HA LYS A 29 4.320 5.611 4.763 1.00 43.14 H new ATOM 0 HB2 LYS A 29 6.485 7.365 3.557 1.00 62.33 H new ATOM 0 HB3 LYS A 29 5.104 7.986 4.439 1.00 62.33 H new ATOM 0 HG2 LYS A 29 5.806 6.683 6.441 1.00 2.13 H new ATOM 0 HG3 LYS A 29 7.196 6.084 5.557 1.00 2.13 H new ATOM 0 HD2 LYS A 29 8.028 8.398 5.267 1.00 63.31 H new ATOM 0 HD3 LYS A 29 6.622 9.021 6.106 1.00 63.31 H new ATOM 0 HE2 LYS A 29 8.654 7.103 7.321 1.00 0.53 H new ATOM 0 HE3 LYS A 29 8.654 8.838 7.565 1.00 0.53 H new ATOM 0 HZ1 LYS A 29 7.584 7.628 9.384 1.00 51.43 H new ATOM 0 HZ2 LYS A 29 6.502 8.694 8.624 1.00 51.43 H new ATOM 0 HZ3 LYS A 29 6.412 7.027 8.312 1.00 51.43 H new ATOM 462 N PHE A 30 2.796 6.576 3.059 1.00 75.54 N ATOM 463 CA PHE A 30 1.793 6.904 2.056 1.00 3.33 C ATOM 464 C PHE A 30 2.301 7.970 1.093 1.00 73.24 C ATOM 465 O PHE A 30 2.091 7.876 -0.112 1.00 11.10 O ATOM 466 CB PHE A 30 0.513 7.387 2.745 1.00 35.25 C ATOM 467 CG PHE A 30 -0.595 7.740 1.793 1.00 43.02 C ATOM 468 CD1 PHE A 30 -1.320 6.745 1.162 1.00 75.10 C ATOM 469 CD2 PHE A 30 -0.913 9.064 1.534 1.00 72.50 C ATOM 470 CE1 PHE A 30 -2.340 7.061 0.285 1.00 21.12 C ATOM 471 CE2 PHE A 30 -1.931 9.387 0.659 1.00 54.30 C ATOM 472 CZ PHE A 30 -2.645 8.385 0.033 1.00 5.42 C ATOM 0 H PHE A 30 2.452 6.625 4.018 1.00 75.54 H new ATOM 0 HA PHE A 30 1.580 6.004 1.479 1.00 3.33 H new ATOM 0 HB2 PHE A 30 0.162 6.610 3.424 1.00 35.25 H new ATOM 0 HB3 PHE A 30 0.747 8.260 3.354 1.00 35.25 H new ATOM 0 HD1 PHE A 30 -1.086 5.709 1.357 1.00 75.10 H new ATOM 0 HD2 PHE A 30 -0.358 9.852 2.022 1.00 72.50 H new ATOM 0 HE1 PHE A 30 -2.898 6.275 -0.202 1.00 21.12 H new ATOM 0 HE2 PHE A 30 -2.168 10.422 0.465 1.00 54.30 H new ATOM 0 HZ PHE A 30 -3.441 8.636 -0.653 1.00 5.42 H new ATOM 482 N GLY A 31 2.992 8.966 1.636 1.00 52.41 N ATOM 483 CA GLY A 31 3.500 10.055 0.821 1.00 4.33 C ATOM 484 C GLY A 31 4.485 9.588 -0.232 1.00 72.21 C ATOM 485 O GLY A 31 4.525 10.128 -1.335 1.00 13.05 O ATOM 0 H GLY A 31 3.210 9.039 2.630 1.00 52.41 H new ATOM 0 HA2 GLY A 31 2.665 10.559 0.334 1.00 4.33 H new ATOM 0 HA3 GLY A 31 3.984 10.790 1.465 1.00 4.33 H new ATOM 489 N VAL A 32 5.264 8.569 0.101 1.00 71.02 N ATOM 490 CA VAL A 32 6.270 8.046 -0.812 1.00 54.25 C ATOM 491 C VAL A 32 5.608 7.286 -1.956 1.00 25.01 C ATOM 492 O VAL A 32 5.928 7.499 -3.127 1.00 61.31 O ATOM 493 CB VAL A 32 7.263 7.116 -0.083 1.00 13.01 C ATOM 494 CG1 VAL A 32 8.336 6.601 -1.035 1.00 32.14 C ATOM 495 CG2 VAL A 32 7.896 7.836 1.098 1.00 71.13 C ATOM 0 H VAL A 32 5.218 8.087 0.999 1.00 71.02 H new ATOM 0 HA VAL A 32 6.822 8.896 -1.212 1.00 54.25 H new ATOM 0 HB VAL A 32 6.707 6.256 0.291 1.00 13.01 H new ATOM 0 HG11 VAL A 32 9.021 5.949 -0.493 1.00 32.14 H new ATOM 0 HG12 VAL A 32 7.866 6.042 -1.844 1.00 32.14 H new ATOM 0 HG13 VAL A 32 8.889 7.444 -1.450 1.00 32.14 H new ATOM 0 HG21 VAL A 32 8.593 7.166 1.601 1.00 71.13 H new ATOM 0 HG22 VAL A 32 8.431 8.717 0.743 1.00 71.13 H new ATOM 0 HG23 VAL A 32 7.118 8.141 1.797 1.00 71.13 H new ATOM 505 N LEU A 33 4.668 6.416 -1.609 1.00 74.51 N ATOM 506 CA LEU A 33 3.954 5.622 -2.602 1.00 12.42 C ATOM 507 C LEU A 33 3.082 6.535 -3.464 1.00 61.54 C ATOM 508 O LEU A 33 3.060 6.413 -4.688 1.00 31.14 O ATOM 509 CB LEU A 33 3.103 4.553 -1.896 1.00 12.44 C ATOM 510 CG LEU A 33 2.770 3.298 -2.719 1.00 43.12 C ATOM 511 CD1 LEU A 33 2.201 2.212 -1.819 1.00 53.24 C ATOM 512 CD2 LEU A 33 1.782 3.616 -3.833 1.00 72.13 C ATOM 0 H LEU A 33 4.382 6.242 -0.646 1.00 74.51 H new ATOM 0 HA LEU A 33 4.669 5.118 -3.252 1.00 12.42 H new ATOM 0 HB2 LEU A 33 3.626 4.241 -0.992 1.00 12.44 H new ATOM 0 HB3 LEU A 33 2.167 5.014 -1.580 1.00 12.44 H new ATOM 0 HG LEU A 33 3.695 2.941 -3.172 1.00 43.12 H new ATOM 0 HD11 LEU A 33 1.970 1.329 -2.415 1.00 53.24 H new ATOM 0 HD12 LEU A 33 2.933 1.952 -1.055 1.00 53.24 H new ATOM 0 HD13 LEU A 33 1.291 2.575 -1.341 1.00 53.24 H new ATOM 0 HD21 LEU A 33 1.566 2.709 -4.398 1.00 72.13 H new ATOM 0 HD22 LEU A 33 0.859 4.003 -3.401 1.00 72.13 H new ATOM 0 HD23 LEU A 33 2.213 4.364 -4.499 1.00 72.13 H new ATOM 524 N PHE A 34 2.391 7.467 -2.814 1.00 31.02 N ATOM 525 CA PHE A 34 1.518 8.408 -3.507 1.00 62.32 C ATOM 526 C PHE A 34 2.321 9.259 -4.487 1.00 73.20 C ATOM 527 O PHE A 34 1.859 9.555 -5.585 1.00 64.25 O ATOM 528 CB PHE A 34 0.797 9.295 -2.487 1.00 24.21 C ATOM 529 CG PHE A 34 -0.291 10.153 -3.068 1.00 74.40 C ATOM 530 CD1 PHE A 34 -1.448 9.580 -3.573 1.00 42.33 C ATOM 531 CD2 PHE A 34 -0.162 11.534 -3.092 1.00 74.43 C ATOM 532 CE1 PHE A 34 -2.457 10.367 -4.093 1.00 22.24 C ATOM 533 CE2 PHE A 34 -1.168 12.325 -3.613 1.00 12.54 C ATOM 534 CZ PHE A 34 -2.317 11.739 -4.114 1.00 11.31 C ATOM 0 H PHE A 34 2.420 7.591 -1.802 1.00 31.02 H new ATOM 0 HA PHE A 34 0.774 7.849 -4.074 1.00 62.32 H new ATOM 0 HB2 PHE A 34 0.367 8.660 -1.712 1.00 24.21 H new ATOM 0 HB3 PHE A 34 1.530 9.939 -2.002 1.00 24.21 H new ATOM 0 HD1 PHE A 34 -1.562 8.506 -3.560 1.00 42.33 H new ATOM 0 HD2 PHE A 34 0.733 11.995 -2.700 1.00 74.43 H new ATOM 0 HE1 PHE A 34 -3.354 9.909 -4.483 1.00 22.24 H new ATOM 0 HE2 PHE A 34 -1.058 13.399 -3.629 1.00 12.54 H new ATOM 0 HZ PHE A 34 -3.104 12.356 -4.522 1.00 11.31 H new ATOM 544 N ARG A 35 3.533 9.629 -4.084 1.00 23.21 N ATOM 545 CA ARG A 35 4.432 10.405 -4.934 1.00 0.04 C ATOM 546 C ARG A 35 4.676 9.688 -6.262 1.00 41.41 C ATOM 547 O ARG A 35 4.585 10.292 -7.332 1.00 12.35 O ATOM 548 CB ARG A 35 5.767 10.618 -4.223 1.00 53.52 C ATOM 549 CG ARG A 35 6.784 11.393 -5.044 1.00 52.21 C ATOM 550 CD ARG A 35 8.199 11.076 -4.593 1.00 34.23 C ATOM 551 NE ARG A 35 8.524 9.663 -4.806 1.00 33.33 N ATOM 552 CZ ARG A 35 9.338 8.951 -4.026 1.00 73.33 C ATOM 553 NH1 ARG A 35 9.883 9.500 -2.947 1.00 54.22 N ATOM 554 NH2 ARG A 35 9.580 7.680 -4.312 1.00 62.14 N ATOM 0 H ARG A 35 3.918 9.402 -3.167 1.00 23.21 H new ATOM 0 HA ARG A 35 3.964 11.369 -5.134 1.00 0.04 H new ATOM 0 HB2 ARG A 35 5.589 11.149 -3.288 1.00 53.52 H new ATOM 0 HB3 ARG A 35 6.188 9.647 -3.963 1.00 53.52 H new ATOM 0 HG2 ARG A 35 6.670 11.145 -6.099 1.00 52.21 H new ATOM 0 HG3 ARG A 35 6.598 12.462 -4.946 1.00 52.21 H new ATOM 0 HD2 ARG A 35 8.905 11.700 -5.141 1.00 34.23 H new ATOM 0 HD3 ARG A 35 8.309 11.321 -3.537 1.00 34.23 H new ATOM 0 HE ARG A 35 8.099 9.192 -5.605 1.00 33.33 H new ATOM 0 HH11 ARG A 35 9.680 10.471 -2.711 1.00 54.22 H new ATOM 0 HH12 ARG A 35 10.505 8.950 -2.354 1.00 54.22 H new ATOM 0 HH21 ARG A 35 9.144 7.249 -5.127 1.00 62.14 H new ATOM 0 HH22 ARG A 35 10.202 7.133 -3.717 1.00 62.14 H new ATOM 568 N ASP A 36 4.989 8.399 -6.179 1.00 12.53 N ATOM 569 CA ASP A 36 5.265 7.594 -7.365 1.00 40.41 C ATOM 570 C ASP A 36 4.006 7.413 -8.202 1.00 23.54 C ATOM 571 O ASP A 36 4.045 7.507 -9.433 1.00 0.23 O ATOM 572 CB ASP A 36 5.839 6.229 -6.969 1.00 15.25 C ATOM 573 CG ASP A 36 7.342 6.155 -7.155 1.00 35.41 C ATOM 574 OD1 ASP A 36 8.088 6.651 -6.285 1.00 45.42 O ATOM 575 OD2 ASP A 36 7.785 5.589 -8.179 1.00 75.24 O ATOM 0 H ASP A 36 5.058 7.887 -5.299 1.00 12.53 H new ATOM 0 HA ASP A 36 6.005 8.122 -7.966 1.00 40.41 H new ATOM 0 HB2 ASP A 36 5.595 6.024 -5.927 1.00 15.25 H new ATOM 0 HB3 ASP A 36 5.363 5.451 -7.567 1.00 15.25 H new ATOM 580 N ASP A 37 2.883 7.180 -7.534 1.00 10.00 N ATOM 581 CA ASP A 37 1.612 6.986 -8.227 1.00 34.45 C ATOM 582 C ASP A 37 1.171 8.261 -8.939 1.00 74.14 C ATOM 583 O ASP A 37 0.563 8.204 -9.994 1.00 2.31 O ATOM 584 CB ASP A 37 0.518 6.520 -7.265 1.00 73.04 C ATOM 585 CG ASP A 37 -0.787 6.238 -7.987 1.00 22.01 C ATOM 586 OD1 ASP A 37 -0.907 5.153 -8.603 1.00 44.22 O ATOM 587 OD2 ASP A 37 -1.687 7.101 -7.951 1.00 43.55 O ATOM 0 H ASP A 37 2.824 7.121 -6.517 1.00 10.00 H new ATOM 0 HA ASP A 37 1.769 6.207 -8.974 1.00 34.45 H new ATOM 0 HB2 ASP A 37 0.849 5.619 -6.748 1.00 73.04 H new ATOM 0 HB3 ASP A 37 0.354 7.283 -6.504 1.00 73.04 H new ATOM 592 N LYS A 38 1.501 9.416 -8.381 1.00 11.54 N ATOM 593 CA LYS A 38 1.153 10.681 -9.020 1.00 52.13 C ATOM 594 C LYS A 38 1.862 10.844 -10.366 1.00 71.44 C ATOM 595 O LYS A 38 1.427 11.625 -11.213 1.00 11.43 O ATOM 596 CB LYS A 38 1.484 11.864 -8.109 1.00 25.41 C ATOM 597 CG LYS A 38 0.551 12.002 -6.914 1.00 4.05 C ATOM 598 CD LYS A 38 -0.907 12.114 -7.342 1.00 31.43 C ATOM 599 CE LYS A 38 -1.132 13.301 -8.264 1.00 53.32 C ATOM 600 NZ LYS A 38 -2.564 13.456 -8.628 1.00 41.31 N ATOM 0 H LYS A 38 2.003 9.506 -7.498 1.00 11.54 H new ATOM 0 HA LYS A 38 0.078 10.666 -9.200 1.00 52.13 H new ATOM 0 HB2 LYS A 38 2.507 11.757 -7.748 1.00 25.41 H new ATOM 0 HB3 LYS A 38 1.447 12.783 -8.695 1.00 25.41 H new ATOM 0 HG2 LYS A 38 0.672 11.140 -6.258 1.00 4.05 H new ATOM 0 HG3 LYS A 38 0.829 12.884 -6.336 1.00 4.05 H new ATOM 0 HD2 LYS A 38 -1.209 11.197 -7.848 1.00 31.43 H new ATOM 0 HD3 LYS A 38 -1.539 12.214 -6.459 1.00 31.43 H new ATOM 0 HE2 LYS A 38 -0.781 14.211 -7.777 1.00 53.32 H new ATOM 0 HE3 LYS A 38 -0.539 13.175 -9.170 1.00 53.32 H new ATOM 0 HZ1 LYS A 38 -2.675 14.276 -9.258 1.00 41.31 H new ATOM 0 HZ2 LYS A 38 -2.893 12.598 -9.115 1.00 41.31 H new ATOM 0 HZ3 LYS A 38 -3.127 13.602 -7.766 1.00 41.31 H new ATOM 614 N SER A 39 2.952 10.112 -10.561 1.00 15.45 N ATOM 615 CA SER A 39 3.688 10.176 -11.813 1.00 23.13 C ATOM 616 C SER A 39 3.132 9.181 -12.839 1.00 61.23 C ATOM 617 O SER A 39 2.865 9.542 -13.984 1.00 2.24 O ATOM 618 CB SER A 39 5.172 9.895 -11.564 1.00 60.51 C ATOM 619 OG SER A 39 5.697 10.748 -10.557 1.00 62.22 O ATOM 0 H SER A 39 3.343 9.471 -9.871 1.00 15.45 H new ATOM 0 HA SER A 39 3.573 11.181 -12.220 1.00 23.13 H new ATOM 0 HB2 SER A 39 5.302 8.855 -11.266 1.00 60.51 H new ATOM 0 HB3 SER A 39 5.731 10.034 -12.489 1.00 60.51 H new ATOM 0 HG SER A 39 6.646 10.545 -10.418 1.00 62.22 H new ATOM 625 N ALA A 40 2.933 7.935 -12.416 1.00 22.34 N ATOM 626 CA ALA A 40 2.560 6.862 -13.341 1.00 55.14 C ATOM 627 C ALA A 40 1.070 6.549 -13.295 1.00 60.21 C ATOM 628 O ALA A 40 0.495 6.079 -14.277 1.00 2.14 O ATOM 629 CB ALA A 40 3.357 5.607 -13.024 1.00 44.12 C ATOM 0 H ALA A 40 3.023 7.642 -11.443 1.00 22.34 H new ATOM 0 HA ALA A 40 2.791 7.208 -14.349 1.00 55.14 H new ATOM 0 HB1 ALA A 40 3.075 4.813 -13.715 1.00 44.12 H new ATOM 0 HB2 ALA A 40 4.422 5.817 -13.127 1.00 44.12 H new ATOM 0 HB3 ALA A 40 3.146 5.291 -12.002 1.00 44.12 H new ATOM 635 N ASN A 41 0.458 6.826 -12.156 1.00 24.11 N ATOM 636 CA ASN A 41 -0.921 6.443 -11.874 1.00 64.12 C ATOM 637 C ASN A 41 -1.103 4.950 -12.083 1.00 74.10 C ATOM 638 O ASN A 41 -1.765 4.502 -13.021 1.00 24.43 O ATOM 639 CB ASN A 41 -1.923 7.245 -12.707 1.00 64.24 C ATOM 640 CG ASN A 41 -1.854 8.730 -12.405 1.00 73.12 C ATOM 641 OD1 ASN A 41 -1.222 9.497 -13.137 1.00 64.52 O ATOM 642 ND2 ASN A 41 -2.465 9.139 -11.304 1.00 52.24 N ATOM 0 H ASN A 41 0.907 7.329 -11.391 1.00 24.11 H new ATOM 0 HA ASN A 41 -1.125 6.678 -10.829 1.00 64.12 H new ATOM 0 HB2 ASN A 41 -1.727 7.081 -13.767 1.00 64.24 H new ATOM 0 HB3 ASN A 41 -2.931 6.881 -12.510 1.00 64.24 H new ATOM 0 HD21 ASN A 41 -2.424 10.121 -11.033 1.00 52.24 H new ATOM 0 HD22 ASN A 41 -2.977 8.472 -10.727 1.00 52.24 H new ATOM 649 N LEU A 42 -0.471 4.190 -11.206 1.00 55.31 N ATOM 650 CA LEU A 42 -0.494 2.744 -11.271 1.00 52.03 C ATOM 651 C LEU A 42 -1.781 2.225 -10.662 1.00 15.13 C ATOM 652 O LEU A 42 -2.406 1.297 -11.176 1.00 73.00 O ATOM 653 CB LEU A 42 0.709 2.174 -10.522 1.00 14.52 C ATOM 654 CG LEU A 42 2.067 2.657 -11.031 1.00 50.23 C ATOM 655 CD1 LEU A 42 3.178 2.179 -10.112 1.00 34.41 C ATOM 656 CD2 LEU A 42 2.304 2.174 -12.454 1.00 23.42 C ATOM 0 H LEU A 42 0.073 4.562 -10.428 1.00 55.31 H new ATOM 0 HA LEU A 42 -0.443 2.429 -12.313 1.00 52.03 H new ATOM 0 HB2 LEU A 42 0.619 2.433 -9.467 1.00 14.52 H new ATOM 0 HB3 LEU A 42 0.678 1.086 -10.587 1.00 14.52 H new ATOM 0 HG LEU A 42 2.068 3.747 -11.034 1.00 50.23 H new ATOM 0 HD11 LEU A 42 4.138 2.531 -10.488 1.00 34.41 H new ATOM 0 HD12 LEU A 42 3.015 2.573 -9.109 1.00 34.41 H new ATOM 0 HD13 LEU A 42 3.179 1.090 -10.079 1.00 34.41 H new ATOM 0 HD21 LEU A 42 3.275 2.527 -12.801 1.00 23.42 H new ATOM 0 HD22 LEU A 42 2.284 1.084 -12.476 1.00 23.42 H new ATOM 0 HD23 LEU A 42 1.522 2.564 -13.106 1.00 23.42 H new ATOM 668 N PHE A 43 -2.175 2.853 -9.568 1.00 30.31 N ATOM 669 CA PHE A 43 -3.377 2.473 -8.861 1.00 13.54 C ATOM 670 C PHE A 43 -4.444 3.535 -9.073 1.00 53.23 C ATOM 671 O PHE A 43 -4.417 4.589 -8.437 1.00 33.53 O ATOM 672 CB PHE A 43 -3.086 2.306 -7.366 1.00 24.20 C ATOM 673 CG PHE A 43 -1.879 1.456 -7.069 1.00 21.53 C ATOM 674 CD1 PHE A 43 -1.955 0.073 -7.114 1.00 70.35 C ATOM 675 CD2 PHE A 43 -0.669 2.046 -6.738 1.00 43.13 C ATOM 676 CE1 PHE A 43 -0.846 -0.705 -6.833 1.00 73.44 C ATOM 677 CE2 PHE A 43 0.442 1.274 -6.459 1.00 55.14 C ATOM 678 CZ PHE A 43 0.353 -0.103 -6.507 1.00 41.23 C ATOM 0 H PHE A 43 -1.672 3.635 -9.150 1.00 30.31 H new ATOM 0 HA PHE A 43 -3.735 1.519 -9.249 1.00 13.54 H new ATOM 0 HB2 PHE A 43 -2.942 3.291 -6.922 1.00 24.20 H new ATOM 0 HB3 PHE A 43 -3.957 1.863 -6.884 1.00 24.20 H new ATOM 0 HD1 PHE A 43 -2.890 -0.403 -7.371 1.00 70.35 H new ATOM 0 HD2 PHE A 43 -0.594 3.123 -6.698 1.00 43.13 H new ATOM 0 HE1 PHE A 43 -0.918 -1.782 -6.869 1.00 73.44 H new ATOM 0 HE2 PHE A 43 1.379 1.747 -6.204 1.00 55.14 H new ATOM 0 HZ PHE A 43 1.220 -0.709 -6.290 1.00 41.23 H new ATOM 688 N GLU A 44 -5.368 3.266 -9.990 1.00 61.44 N ATOM 689 CA GLU A 44 -6.439 4.209 -10.299 1.00 72.12 C ATOM 690 C GLU A 44 -7.258 4.514 -9.047 1.00 54.03 C ATOM 691 O GLU A 44 -7.796 5.614 -8.889 1.00 24.42 O ATOM 692 CB GLU A 44 -7.333 3.653 -11.413 1.00 4.34 C ATOM 693 CG GLU A 44 -8.383 4.639 -11.899 1.00 14.14 C ATOM 694 CD GLU A 44 -9.155 4.126 -13.094 1.00 53.44 C ATOM 695 OE1 GLU A 44 -10.150 3.401 -12.897 1.00 72.23 O ATOM 696 OE2 GLU A 44 -8.772 4.455 -14.237 1.00 65.45 O ATOM 0 H GLU A 44 -5.397 2.403 -10.533 1.00 61.44 H new ATOM 0 HA GLU A 44 -5.994 5.140 -10.650 1.00 72.12 H new ATOM 0 HB2 GLU A 44 -6.708 3.356 -12.255 1.00 4.34 H new ATOM 0 HB3 GLU A 44 -7.831 2.753 -11.053 1.00 4.34 H new ATOM 0 HG2 GLU A 44 -9.078 4.853 -11.087 1.00 14.14 H new ATOM 0 HG3 GLU A 44 -7.899 5.580 -12.161 1.00 14.14 H new ATOM 703 N ALA A 45 -7.338 3.533 -8.159 1.00 2.02 N ATOM 704 CA ALA A 45 -7.943 3.722 -6.853 1.00 42.40 C ATOM 705 C ALA A 45 -6.983 3.241 -5.770 1.00 31.32 C ATOM 706 O ALA A 45 -7.057 2.095 -5.325 1.00 73.31 O ATOM 707 CB ALA A 45 -9.270 2.986 -6.761 1.00 11.20 C ATOM 0 H ALA A 45 -6.987 2.590 -8.324 1.00 2.02 H new ATOM 0 HA ALA A 45 -8.141 4.784 -6.706 1.00 42.40 H new ATOM 0 HB1 ALA A 45 -9.705 3.142 -5.774 1.00 11.20 H new ATOM 0 HB2 ALA A 45 -9.951 3.367 -7.522 1.00 11.20 H new ATOM 0 HB3 ALA A 45 -9.107 1.920 -6.921 1.00 11.20 H new ATOM 713 N LEU A 46 -6.065 4.114 -5.371 1.00 34.12 N ATOM 714 CA LEU A 46 -5.032 3.758 -4.407 1.00 0.44 C ATOM 715 C LEU A 46 -5.641 3.431 -3.051 1.00 20.32 C ATOM 716 O LEU A 46 -5.281 2.436 -2.424 1.00 24.31 O ATOM 717 CB LEU A 46 -4.012 4.895 -4.274 1.00 42.15 C ATOM 718 CG LEU A 46 -2.875 4.643 -3.277 1.00 72.50 C ATOM 719 CD1 LEU A 46 -2.091 3.394 -3.653 1.00 72.34 C ATOM 720 CD2 LEU A 46 -1.950 5.847 -3.212 1.00 63.35 C ATOM 0 H LEU A 46 -6.016 5.077 -5.702 1.00 34.12 H new ATOM 0 HA LEU A 46 -4.520 2.868 -4.772 1.00 0.44 H new ATOM 0 HB2 LEU A 46 -3.577 5.087 -5.255 1.00 42.15 H new ATOM 0 HB3 LEU A 46 -4.540 5.801 -3.976 1.00 42.15 H new ATOM 0 HG LEU A 46 -3.315 4.486 -2.292 1.00 72.50 H new ATOM 0 HD11 LEU A 46 -1.290 3.236 -2.931 1.00 72.34 H new ATOM 0 HD12 LEU A 46 -2.757 2.531 -3.650 1.00 72.34 H new ATOM 0 HD13 LEU A 46 -1.663 3.519 -4.648 1.00 72.34 H new ATOM 0 HD21 LEU A 46 -1.148 5.652 -2.500 1.00 63.35 H new ATOM 0 HD22 LEU A 46 -1.523 6.031 -4.198 1.00 63.35 H new ATOM 0 HD23 LEU A 46 -2.515 6.723 -2.892 1.00 63.35 H new ATOM 732 N VAL A 47 -6.581 4.261 -2.615 1.00 23.00 N ATOM 733 CA VAL A 47 -7.243 4.058 -1.332 1.00 4.41 C ATOM 734 C VAL A 47 -7.965 2.712 -1.312 1.00 42.33 C ATOM 735 O VAL A 47 -7.854 1.952 -0.352 1.00 55.10 O ATOM 736 CB VAL A 47 -8.251 5.189 -1.027 1.00 70.44 C ATOM 737 CG1 VAL A 47 -8.900 4.988 0.337 1.00 41.44 C ATOM 738 CG2 VAL A 47 -7.568 6.547 -1.104 1.00 13.43 C ATOM 0 H VAL A 47 -6.902 5.081 -3.131 1.00 23.00 H new ATOM 0 HA VAL A 47 -6.472 4.070 -0.562 1.00 4.41 H new ATOM 0 HB VAL A 47 -9.037 5.156 -1.781 1.00 70.44 H new ATOM 0 HG11 VAL A 47 -9.605 5.797 0.527 1.00 41.44 H new ATOM 0 HG12 VAL A 47 -9.429 4.035 0.351 1.00 41.44 H new ATOM 0 HG13 VAL A 47 -8.131 4.988 1.109 1.00 41.44 H new ATOM 0 HG21 VAL A 47 -8.293 7.332 -0.886 1.00 13.43 H new ATOM 0 HG22 VAL A 47 -6.758 6.589 -0.376 1.00 13.43 H new ATOM 0 HG23 VAL A 47 -7.163 6.694 -2.105 1.00 13.43 H new ATOM 748 N GLY A 48 -8.689 2.425 -2.386 1.00 11.10 N ATOM 749 CA GLY A 48 -9.388 1.160 -2.501 1.00 2.13 C ATOM 750 C GLY A 48 -8.449 -0.031 -2.517 1.00 72.13 C ATOM 751 O GLY A 48 -8.770 -1.085 -1.967 1.00 45.42 O ATOM 0 H GLY A 48 -8.805 3.050 -3.184 1.00 11.10 H new ATOM 0 HA2 GLY A 48 -10.083 1.057 -1.668 1.00 2.13 H new ATOM 0 HA3 GLY A 48 -9.983 1.160 -3.415 1.00 2.13 H new ATOM 755 N THR A 49 -7.288 0.134 -3.140 1.00 42.41 N ATOM 756 CA THR A 49 -6.287 -0.925 -3.181 1.00 41.44 C ATOM 757 C THR A 49 -5.722 -1.172 -1.782 1.00 52.31 C ATOM 758 O THR A 49 -5.541 -2.319 -1.363 1.00 33.50 O ATOM 759 CB THR A 49 -5.140 -0.573 -4.151 1.00 11.02 C ATOM 760 OG1 THR A 49 -5.678 -0.211 -5.431 1.00 14.33 O ATOM 761 CG2 THR A 49 -4.184 -1.746 -4.324 1.00 11.45 C ATOM 0 H THR A 49 -7.017 0.990 -3.623 1.00 42.41 H new ATOM 0 HA THR A 49 -6.774 -1.831 -3.540 1.00 41.44 H new ATOM 0 HB THR A 49 -4.588 0.266 -3.727 1.00 11.02 H new ATOM 0 HG1 THR A 49 -6.077 0.683 -5.377 1.00 14.33 H new ATOM 0 HG21 THR A 49 -3.387 -1.467 -5.013 1.00 11.45 H new ATOM 0 HG22 THR A 49 -3.753 -2.010 -3.358 1.00 11.45 H new ATOM 0 HG23 THR A 49 -4.727 -2.602 -4.725 1.00 11.45 H new ATOM 769 N LEU A 50 -5.462 -0.086 -1.059 1.00 15.14 N ATOM 770 CA LEU A 50 -4.998 -0.172 0.320 1.00 33.42 C ATOM 771 C LEU A 50 -6.034 -0.877 1.190 1.00 33.21 C ATOM 772 O LEU A 50 -5.697 -1.750 1.990 1.00 42.41 O ATOM 773 CB LEU A 50 -4.715 1.227 0.876 1.00 24.40 C ATOM 774 CG LEU A 50 -3.558 1.977 0.212 1.00 60.44 C ATOM 775 CD1 LEU A 50 -3.426 3.372 0.802 1.00 33.24 C ATOM 776 CD2 LEU A 50 -2.257 1.203 0.374 1.00 53.40 C ATOM 0 H LEU A 50 -5.566 0.867 -1.408 1.00 15.14 H new ATOM 0 HA LEU A 50 -4.075 -0.751 0.335 1.00 33.42 H new ATOM 0 HB2 LEU A 50 -5.619 1.828 0.778 1.00 24.40 H new ATOM 0 HB3 LEU A 50 -4.505 1.140 1.942 1.00 24.40 H new ATOM 0 HG LEU A 50 -3.771 2.070 -0.853 1.00 60.44 H new ATOM 0 HD11 LEU A 50 -2.599 3.894 0.320 1.00 33.24 H new ATOM 0 HD12 LEU A 50 -4.350 3.926 0.637 1.00 33.24 H new ATOM 0 HD13 LEU A 50 -3.234 3.298 1.872 1.00 33.24 H new ATOM 0 HD21 LEU A 50 -1.445 1.751 -0.104 1.00 53.40 H new ATOM 0 HD22 LEU A 50 -2.036 1.080 1.434 1.00 53.40 H new ATOM 0 HD23 LEU A 50 -2.356 0.223 -0.092 1.00 53.40 H new ATOM 788 N LYS A 51 -7.296 -0.495 1.014 1.00 21.11 N ATOM 789 CA LYS A 51 -8.403 -1.115 1.735 1.00 53.51 C ATOM 790 C LYS A 51 -8.461 -2.612 1.467 1.00 73.13 C ATOM 791 O LYS A 51 -8.600 -3.409 2.392 1.00 33.51 O ATOM 792 CB LYS A 51 -9.731 -0.471 1.334 1.00 3.12 C ATOM 793 CG LYS A 51 -9.948 0.913 1.921 1.00 15.52 C ATOM 794 CD LYS A 51 -10.019 0.866 3.439 1.00 61.41 C ATOM 795 CE LYS A 51 -10.518 2.179 4.019 1.00 1.41 C ATOM 796 NZ LYS A 51 -11.879 2.521 3.525 1.00 13.12 N ATOM 0 H LYS A 51 -7.578 0.247 0.373 1.00 21.11 H new ATOM 0 HA LYS A 51 -8.234 -0.958 2.800 1.00 53.51 H new ATOM 0 HB2 LYS A 51 -9.777 -0.405 0.247 1.00 3.12 H new ATOM 0 HB3 LYS A 51 -10.548 -1.120 1.649 1.00 3.12 H new ATOM 0 HG2 LYS A 51 -9.136 1.572 1.613 1.00 15.52 H new ATOM 0 HG3 LYS A 51 -10.871 1.337 1.525 1.00 15.52 H new ATOM 0 HD2 LYS A 51 -10.681 0.057 3.748 1.00 61.41 H new ATOM 0 HD3 LYS A 51 -9.032 0.642 3.843 1.00 61.41 H new ATOM 0 HE2 LYS A 51 -10.532 2.113 5.107 1.00 1.41 H new ATOM 0 HE3 LYS A 51 -9.825 2.978 3.757 1.00 1.41 H new ATOM 0 HZ1 LYS A 51 -12.333 3.182 4.187 1.00 13.12 H new ATOM 0 HZ2 LYS A 51 -11.807 2.966 2.588 1.00 13.12 H new ATOM 0 HZ3 LYS A 51 -12.450 1.655 3.454 1.00 13.12 H new ATOM 810 N ALA A 52 -8.343 -2.982 0.195 1.00 1.44 N ATOM 811 CA ALA A 52 -8.400 -4.379 -0.217 1.00 64.12 C ATOM 812 C ALA A 52 -7.355 -5.215 0.516 1.00 22.50 C ATOM 813 O ALA A 52 -7.654 -6.288 1.041 1.00 11.21 O ATOM 814 CB ALA A 52 -8.199 -4.491 -1.722 1.00 73.52 C ATOM 0 H ALA A 52 -8.206 -2.326 -0.574 1.00 1.44 H new ATOM 0 HA ALA A 52 -9.385 -4.767 0.042 1.00 64.12 H new ATOM 0 HB1 ALA A 52 -8.244 -5.539 -2.018 1.00 73.52 H new ATOM 0 HB2 ALA A 52 -8.983 -3.935 -2.236 1.00 73.52 H new ATOM 0 HB3 ALA A 52 -7.226 -4.079 -1.991 1.00 73.52 H new ATOM 820 N ALA A 53 -6.134 -4.705 0.571 1.00 25.32 N ATOM 821 CA ALA A 53 -5.041 -5.425 1.203 1.00 15.15 C ATOM 822 C ALA A 53 -5.147 -5.367 2.725 1.00 42.12 C ATOM 823 O ALA A 53 -4.674 -6.266 3.420 1.00 2.23 O ATOM 824 CB ALA A 53 -3.707 -4.875 0.723 1.00 52.20 C ATOM 0 H ALA A 53 -5.876 -3.796 0.186 1.00 25.32 H new ATOM 0 HA ALA A 53 -5.106 -6.474 0.914 1.00 15.15 H new ATOM 0 HB1 ALA A 53 -2.895 -5.421 1.202 1.00 52.20 H new ATOM 0 HB2 ALA A 53 -3.634 -4.991 -0.358 1.00 52.20 H new ATOM 0 HB3 ALA A 53 -3.635 -3.818 0.980 1.00 52.20 H new ATOM 830 N LYS A 54 -5.774 -4.317 3.243 1.00 20.12 N ATOM 831 CA LYS A 54 -5.980 -4.192 4.684 1.00 2.12 C ATOM 832 C LYS A 54 -7.073 -5.159 5.139 1.00 51.44 C ATOM 833 O LYS A 54 -7.031 -5.683 6.250 1.00 32.10 O ATOM 834 CB LYS A 54 -6.341 -2.745 5.058 1.00 54.14 C ATOM 835 CG LYS A 54 -6.348 -2.479 6.559 1.00 24.42 C ATOM 836 CD LYS A 54 -6.551 -1.002 6.875 1.00 60.42 C ATOM 837 CE LYS A 54 -6.506 -0.740 8.376 1.00 54.42 C ATOM 838 NZ LYS A 54 -6.623 0.710 8.707 1.00 11.42 N ATOM 0 H LYS A 54 -6.147 -3.544 2.692 1.00 20.12 H new ATOM 0 HA LYS A 54 -5.052 -4.448 5.195 1.00 2.12 H new ATOM 0 HB2 LYS A 54 -5.630 -2.069 4.582 1.00 54.14 H new ATOM 0 HB3 LYS A 54 -7.325 -2.510 4.653 1.00 54.14 H new ATOM 0 HG2 LYS A 54 -7.141 -3.062 7.027 1.00 24.42 H new ATOM 0 HG3 LYS A 54 -5.406 -2.816 6.992 1.00 24.42 H new ATOM 0 HD2 LYS A 54 -5.779 -0.413 6.379 1.00 60.42 H new ATOM 0 HD3 LYS A 54 -7.510 -0.672 6.476 1.00 60.42 H new ATOM 0 HE2 LYS A 54 -7.315 -1.286 8.861 1.00 54.42 H new ATOM 0 HE3 LYS A 54 -5.571 -1.128 8.781 1.00 54.42 H new ATOM 0 HZ1 LYS A 54 -7.172 0.823 9.583 1.00 11.42 H new ATOM 0 HZ2 LYS A 54 -5.674 1.114 8.839 1.00 11.42 H new ATOM 0 HZ3 LYS A 54 -7.105 1.206 7.930 1.00 11.42 H new ATOM 852 N ARG A 55 -8.042 -5.404 4.262 1.00 54.45 N ATOM 853 CA ARG A 55 -9.108 -6.367 4.533 1.00 45.44 C ATOM 854 C ARG A 55 -8.585 -7.796 4.441 1.00 63.12 C ATOM 855 O ARG A 55 -9.082 -8.695 5.117 1.00 33.12 O ATOM 856 CB ARG A 55 -10.270 -6.170 3.557 1.00 51.30 C ATOM 857 CG ARG A 55 -11.030 -4.864 3.751 1.00 11.23 C ATOM 858 CD ARG A 55 -11.933 -4.899 4.978 1.00 3.24 C ATOM 859 NE ARG A 55 -11.192 -5.012 6.239 1.00 44.33 N ATOM 860 CZ ARG A 55 -11.740 -5.434 7.381 1.00 14.01 C ATOM 861 NH1 ARG A 55 -12.991 -5.872 7.392 1.00 3.44 N ATOM 862 NH2 ARG A 55 -11.026 -5.452 8.502 1.00 61.43 N ATOM 0 H ARG A 55 -8.112 -4.947 3.353 1.00 54.45 H new ATOM 0 HA ARG A 55 -9.467 -6.195 5.548 1.00 45.44 H new ATOM 0 HB2 ARG A 55 -9.885 -6.206 2.538 1.00 51.30 H new ATOM 0 HB3 ARG A 55 -10.966 -7.002 3.664 1.00 51.30 H new ATOM 0 HG2 ARG A 55 -10.319 -4.043 3.849 1.00 11.23 H new ATOM 0 HG3 ARG A 55 -11.632 -4.661 2.865 1.00 11.23 H new ATOM 0 HD2 ARG A 55 -12.539 -3.994 5.001 1.00 3.24 H new ATOM 0 HD3 ARG A 55 -12.620 -5.741 4.891 1.00 3.24 H new ATOM 0 HE ARG A 55 -10.205 -4.754 6.244 1.00 44.33 H new ATOM 0 HH11 ARG A 55 -13.534 -5.886 6.529 1.00 3.44 H new ATOM 0 HH12 ARG A 55 -13.411 -6.195 8.264 1.00 3.44 H new ATOM 0 HH21 ARG A 55 -10.054 -5.142 8.493 1.00 61.43 H new ATOM 0 HH22 ARG A 55 -11.450 -5.775 9.372 1.00 61.43 H new ATOM 876 N ARG A 56 -7.578 -7.997 3.598 1.00 62.04 N ATOM 877 CA ARG A 56 -6.919 -9.293 3.483 1.00 24.43 C ATOM 878 C ARG A 56 -5.834 -9.447 4.545 1.00 75.04 C ATOM 879 O ARG A 56 -5.151 -10.470 4.605 1.00 53.15 O ATOM 880 CB ARG A 56 -6.310 -9.474 2.090 1.00 1.33 C ATOM 881 CG ARG A 56 -7.266 -10.053 1.056 1.00 1.30 C ATOM 882 CD ARG A 56 -6.568 -10.250 -0.282 1.00 4.14 C ATOM 883 NE ARG A 56 -7.372 -11.017 -1.236 1.00 63.32 N ATOM 884 CZ ARG A 56 -7.439 -10.743 -2.540 1.00 53.42 C ATOM 885 NH1 ARG A 56 -6.793 -9.695 -3.032 1.00 52.33 N ATOM 886 NH2 ARG A 56 -8.142 -11.523 -3.353 1.00 1.22 N ATOM 0 H ARG A 56 -7.199 -7.277 2.983 1.00 62.04 H new ATOM 0 HA ARG A 56 -7.675 -10.063 3.638 1.00 24.43 H new ATOM 0 HB2 ARG A 56 -5.952 -8.508 1.735 1.00 1.33 H new ATOM 0 HB3 ARG A 56 -5.441 -10.127 2.169 1.00 1.33 H new ATOM 0 HG2 ARG A 56 -7.656 -11.007 1.410 1.00 1.30 H new ATOM 0 HG3 ARG A 56 -8.119 -9.386 0.931 1.00 1.30 H new ATOM 0 HD2 ARG A 56 -6.335 -9.276 -0.712 1.00 4.14 H new ATOM 0 HD3 ARG A 56 -5.619 -10.762 -0.120 1.00 4.14 H new ATOM 0 HE ARG A 56 -7.912 -11.807 -0.883 1.00 63.32 H new ATOM 0 HH11 ARG A 56 -6.244 -9.098 -2.413 1.00 52.33 H new ATOM 0 HH12 ARG A 56 -6.845 -9.486 -4.029 1.00 52.33 H new ATOM 0 HH21 ARG A 56 -8.634 -12.336 -2.981 1.00 1.22 H new ATOM 0 HH22 ARG A 56 -8.190 -11.309 -4.349 1.00 1.22 H new ATOM 900 N LYS A 57 -5.688 -8.418 5.382 1.00 12.23 N ATOM 901 CA LYS A 57 -4.698 -8.398 6.459 1.00 63.54 C ATOM 902 C LYS A 57 -3.293 -8.576 5.898 1.00 20.33 C ATOM 903 O LYS A 57 -2.405 -9.116 6.559 1.00 65.22 O ATOM 904 CB LYS A 57 -4.995 -9.470 7.520 1.00 64.13 C ATOM 905 CG LYS A 57 -6.391 -9.381 8.132 1.00 4.54 C ATOM 906 CD LYS A 57 -7.380 -10.286 7.411 1.00 23.22 C ATOM 907 CE LYS A 57 -6.954 -11.744 7.494 1.00 5.40 C ATOM 908 NZ LYS A 57 -7.866 -12.642 6.737 1.00 65.51 N ATOM 0 H LYS A 57 -6.256 -7.572 5.331 1.00 12.23 H new ATOM 0 HA LYS A 57 -4.760 -7.425 6.946 1.00 63.54 H new ATOM 0 HB2 LYS A 57 -4.871 -10.455 7.069 1.00 64.13 H new ATOM 0 HB3 LYS A 57 -4.256 -9.389 8.317 1.00 64.13 H new ATOM 0 HG2 LYS A 57 -6.345 -9.658 9.185 1.00 4.54 H new ATOM 0 HG3 LYS A 57 -6.742 -8.350 8.089 1.00 4.54 H new ATOM 0 HD2 LYS A 57 -8.371 -10.169 7.850 1.00 23.22 H new ATOM 0 HD3 LYS A 57 -7.456 -9.986 6.366 1.00 23.22 H new ATOM 0 HE2 LYS A 57 -5.941 -11.847 7.105 1.00 5.40 H new ATOM 0 HE3 LYS A 57 -6.927 -12.054 8.539 1.00 5.40 H new ATOM 0 HZ1 LYS A 57 -7.536 -13.624 6.823 1.00 65.51 H new ATOM 0 HZ2 LYS A 57 -8.828 -12.565 7.124 1.00 65.51 H new ATOM 0 HZ3 LYS A 57 -7.873 -12.365 5.735 1.00 65.51 H new ATOM 922 N ILE A 58 -3.102 -8.108 4.676 1.00 70.24 N ATOM 923 CA ILE A 58 -1.807 -8.155 4.033 1.00 35.54 C ATOM 924 C ILE A 58 -0.983 -6.959 4.469 1.00 73.13 C ATOM 925 O ILE A 58 0.209 -7.075 4.730 1.00 71.24 O ATOM 926 CB ILE A 58 -1.940 -8.161 2.498 1.00 4.22 C ATOM 927 CG1 ILE A 58 -2.790 -9.349 2.051 1.00 73.01 C ATOM 928 CG2 ILE A 58 -0.568 -8.210 1.839 1.00 50.42 C ATOM 929 CD1 ILE A 58 -3.129 -9.329 0.578 1.00 14.10 C ATOM 0 H ILE A 58 -3.838 -7.688 4.108 1.00 70.24 H new ATOM 0 HA ILE A 58 -1.312 -9.079 4.332 1.00 35.54 H new ATOM 0 HB ILE A 58 -2.433 -7.239 2.188 1.00 4.22 H new ATOM 0 HG12 ILE A 58 -2.258 -10.272 2.281 1.00 73.01 H new ATOM 0 HG13 ILE A 58 -3.715 -9.361 2.628 1.00 73.01 H new ATOM 0 HG21 ILE A 58 -0.685 -8.214 0.755 1.00 50.42 H new ATOM 0 HG22 ILE A 58 0.011 -7.337 2.139 1.00 50.42 H new ATOM 0 HG23 ILE A 58 -0.047 -9.115 2.151 1.00 50.42 H new ATOM 0 HD11 ILE A 58 -3.734 -10.202 0.332 1.00 14.10 H new ATOM 0 HD12 ILE A 58 -3.688 -8.423 0.346 1.00 14.10 H new ATOM 0 HD13 ILE A 58 -2.210 -9.348 -0.007 1.00 14.10 H new ATOM 941 N VAL A 59 -1.637 -5.813 4.557 1.00 51.42 N ATOM 942 CA VAL A 59 -0.991 -4.598 5.026 1.00 24.23 C ATOM 943 C VAL A 59 -1.866 -3.911 6.061 1.00 22.31 C ATOM 944 O VAL A 59 -3.080 -4.114 6.093 1.00 60.15 O ATOM 945 CB VAL A 59 -0.709 -3.599 3.878 1.00 52.41 C ATOM 946 CG1 VAL A 59 0.234 -4.198 2.847 1.00 23.41 C ATOM 947 CG2 VAL A 59 -2.005 -3.149 3.221 1.00 63.15 C ATOM 0 H VAL A 59 -2.620 -5.698 4.309 1.00 51.42 H new ATOM 0 HA VAL A 59 -0.037 -4.896 5.462 1.00 24.23 H new ATOM 0 HB VAL A 59 -0.223 -2.725 4.311 1.00 52.41 H new ATOM 0 HG11 VAL A 59 0.413 -3.473 2.053 1.00 23.41 H new ATOM 0 HG12 VAL A 59 1.180 -4.454 3.324 1.00 23.41 H new ATOM 0 HG13 VAL A 59 -0.214 -5.097 2.423 1.00 23.41 H new ATOM 0 HG21 VAL A 59 -1.781 -2.447 2.417 1.00 63.15 H new ATOM 0 HG22 VAL A 59 -2.525 -4.015 2.812 1.00 63.15 H new ATOM 0 HG23 VAL A 59 -2.638 -2.662 3.962 1.00 63.15 H new ATOM 957 N THR A 60 -1.251 -3.115 6.911 1.00 64.01 N ATOM 958 CA THR A 60 -1.993 -2.303 7.845 1.00 31.44 C ATOM 959 C THR A 60 -1.431 -0.894 7.853 1.00 42.30 C ATOM 960 O THR A 60 -0.237 -0.686 7.631 1.00 75.50 O ATOM 961 CB THR A 60 -1.966 -2.885 9.274 1.00 65.04 C ATOM 962 OG1 THR A 60 -2.887 -2.169 10.111 1.00 74.54 O ATOM 963 CG2 THR A 60 -0.568 -2.809 9.876 1.00 22.11 C ATOM 0 H THR A 60 -0.238 -3.015 6.972 1.00 64.01 H new ATOM 0 HA THR A 60 -3.033 -2.290 7.518 1.00 31.44 H new ATOM 0 HB THR A 60 -2.259 -3.933 9.215 1.00 65.04 H new ATOM 0 HG1 THR A 60 -2.866 -2.544 11.016 1.00 74.54 H new ATOM 0 HG21 THR A 60 -0.582 -3.227 10.883 1.00 22.11 H new ATOM 0 HG22 THR A 60 0.126 -3.377 9.257 1.00 22.11 H new ATOM 0 HG23 THR A 60 -0.247 -1.768 9.919 1.00 22.11 H new ATOM 971 N TYR A 61 -2.299 0.069 8.081 1.00 63.34 N ATOM 972 CA TYR A 61 -1.896 1.456 8.150 1.00 54.14 C ATOM 973 C TYR A 61 -2.923 2.241 8.946 1.00 70.11 C ATOM 974 O TYR A 61 -4.128 2.028 8.786 1.00 31.42 O ATOM 975 CB TYR A 61 -1.733 2.045 6.742 1.00 30.22 C ATOM 976 CG TYR A 61 -3.007 2.093 5.921 1.00 63.41 C ATOM 977 CD1 TYR A 61 -3.541 0.942 5.352 1.00 21.04 C ATOM 978 CD2 TYR A 61 -3.673 3.293 5.720 1.00 33.11 C ATOM 979 CE1 TYR A 61 -4.704 0.989 4.606 1.00 33.32 C ATOM 980 CE2 TYR A 61 -4.836 3.350 4.975 1.00 45.21 C ATOM 981 CZ TYR A 61 -5.350 2.194 4.423 1.00 21.44 C ATOM 982 OH TYR A 61 -6.511 2.245 3.682 1.00 2.13 O ATOM 0 H TYR A 61 -3.297 -0.087 8.223 1.00 63.34 H new ATOM 0 HA TYR A 61 -0.930 1.522 8.651 1.00 54.14 H new ATOM 0 HB2 TYR A 61 -1.336 3.056 6.830 1.00 30.22 H new ATOM 0 HB3 TYR A 61 -0.991 1.457 6.201 1.00 30.22 H new ATOM 0 HD1 TYR A 61 -3.039 -0.004 5.495 1.00 21.04 H new ATOM 0 HD2 TYR A 61 -3.276 4.199 6.153 1.00 33.11 H new ATOM 0 HE1 TYR A 61 -5.105 0.087 4.169 1.00 33.32 H new ATOM 0 HE2 TYR A 61 -5.340 4.294 4.826 1.00 45.21 H new ATOM 0 HH TYR A 61 -6.839 3.168 3.651 1.00 2.13 H new ATOM 992 N PRO A 62 -2.463 3.118 9.847 1.00 10.41 N ATOM 993 CA PRO A 62 -3.352 3.982 10.623 1.00 14.51 C ATOM 994 C PRO A 62 -4.205 4.868 9.723 1.00 50.20 C ATOM 995 O PRO A 62 -3.721 5.412 8.729 1.00 52.25 O ATOM 996 CB PRO A 62 -2.390 4.837 11.454 1.00 33.05 C ATOM 997 CG PRO A 62 -1.121 4.059 11.499 1.00 2.13 C ATOM 998 CD PRO A 62 -1.046 3.321 10.194 1.00 1.13 C ATOM 0 HA PRO A 62 -4.057 3.410 11.226 1.00 14.51 H new ATOM 0 HB2 PRO A 62 -2.237 5.815 10.998 1.00 33.05 H new ATOM 0 HB3 PRO A 62 -2.782 5.011 12.456 1.00 33.05 H new ATOM 0 HG2 PRO A 62 -0.262 4.719 11.625 1.00 2.13 H new ATOM 0 HG3 PRO A 62 -1.117 3.366 12.341 1.00 2.13 H new ATOM 0 HD2 PRO A 62 -0.523 3.899 9.433 1.00 1.13 H new ATOM 0 HD3 PRO A 62 -0.516 2.374 10.296 1.00 1.13 H new ATOM 1125 N HIS A 71 -1.874 12.369 5.674 1.00 55.44 N ATOM 1126 CA HIS A 71 -1.603 10.999 6.096 1.00 53.41 C ATOM 1127 C HIS A 71 -0.359 10.470 5.391 1.00 21.21 C ATOM 1128 O HIS A 71 -0.098 9.272 5.387 1.00 55.13 O ATOM 1129 CB HIS A 71 -2.798 10.089 5.789 1.00 73.31 C ATOM 1130 CG HIS A 71 -3.929 10.184 6.773 1.00 33.42 C ATOM 1131 ND1 HIS A 71 -4.848 11.215 6.782 1.00 42.34 N ATOM 1132 CD2 HIS A 71 -4.302 9.348 7.773 1.00 24.14 C ATOM 1133 CE1 HIS A 71 -5.731 11.007 7.741 1.00 75.31 C ATOM 1134 NE2 HIS A 71 -5.424 9.883 8.354 1.00 0.52 N ATOM 0 HA HIS A 71 -1.434 11.001 7.173 1.00 53.41 H new ATOM 0 HB2 HIS A 71 -3.177 10.332 4.796 1.00 73.31 H new ATOM 0 HB3 HIS A 71 -2.451 9.056 5.754 1.00 73.31 H new ATOM 0 HD2 HIS A 71 -3.808 8.431 8.059 1.00 24.14 H new ATOM 0 HE1 HIS A 71 -6.564 11.650 7.982 1.00 75.31 H new ATOM 0 HE2 HIS A 71 -5.938 9.475 9.135 1.00 0.52 H new ATOM 1143 N ASP A 72 0.411 11.379 4.807 1.00 21.42 N ATOM 1144 CA ASP A 72 1.569 11.012 3.993 1.00 30.23 C ATOM 1145 C ASP A 72 2.680 10.392 4.839 1.00 3.45 C ATOM 1146 O ASP A 72 3.526 9.661 4.325 1.00 14.25 O ATOM 1147 CB ASP A 72 2.106 12.238 3.239 1.00 74.32 C ATOM 1148 CG ASP A 72 2.754 13.267 4.148 1.00 0.15 C ATOM 1149 OD1 ASP A 72 2.176 13.582 5.211 1.00 11.13 O ATOM 1150 OD2 ASP A 72 3.844 13.776 3.803 1.00 1.03 O ATOM 0 H ASP A 72 0.255 12.384 4.881 1.00 21.42 H new ATOM 0 HA ASP A 72 1.238 10.264 3.273 1.00 30.23 H new ATOM 0 HB2 ASP A 72 2.834 11.909 2.497 1.00 74.32 H new ATOM 0 HB3 ASP A 72 1.287 12.709 2.695 1.00 74.32 H new ATOM 1155 N ASP A 73 2.666 10.671 6.137 1.00 13.22 N ATOM 1156 CA ASP A 73 3.679 10.142 7.047 1.00 14.40 C ATOM 1157 C ASP A 73 3.280 8.759 7.567 1.00 50.20 C ATOM 1158 O ASP A 73 4.046 8.094 8.263 1.00 51.52 O ATOM 1159 CB ASP A 73 3.899 11.114 8.212 1.00 15.14 C ATOM 1160 CG ASP A 73 4.931 10.623 9.204 1.00 3.41 C ATOM 1161 OD1 ASP A 73 6.107 10.443 8.811 1.00 11.45 O ATOM 1162 OD2 ASP A 73 4.576 10.419 10.384 1.00 41.04 O ATOM 0 H ASP A 73 1.965 11.261 6.585 1.00 13.22 H new ATOM 0 HA ASP A 73 4.614 10.035 6.497 1.00 14.40 H new ATOM 0 HB2 ASP A 73 4.213 12.080 7.817 1.00 15.14 H new ATOM 0 HB3 ASP A 73 2.953 11.273 8.729 1.00 15.14 H new ATOM 1167 N VAL A 74 2.088 8.321 7.191 1.00 12.45 N ATOM 1168 CA VAL A 74 1.582 7.026 7.618 1.00 52.53 C ATOM 1169 C VAL A 74 2.290 5.902 6.874 1.00 54.34 C ATOM 1170 O VAL A 74 2.247 5.832 5.644 1.00 52.55 O ATOM 1171 CB VAL A 74 0.058 6.914 7.392 1.00 2.33 C ATOM 1172 CG1 VAL A 74 -0.423 5.481 7.577 1.00 11.40 C ATOM 1173 CG2 VAL A 74 -0.685 7.849 8.333 1.00 42.21 C ATOM 0 H VAL A 74 1.452 8.845 6.590 1.00 12.45 H new ATOM 0 HA VAL A 74 1.782 6.934 8.686 1.00 52.53 H new ATOM 0 HB VAL A 74 -0.153 7.208 6.364 1.00 2.33 H new ATOM 0 HG11 VAL A 74 -1.499 5.434 7.411 1.00 11.40 H new ATOM 0 HG12 VAL A 74 0.083 4.832 6.862 1.00 11.40 H new ATOM 0 HG13 VAL A 74 -0.197 5.149 8.590 1.00 11.40 H new ATOM 0 HG21 VAL A 74 -1.758 7.760 8.163 1.00 42.21 H new ATOM 0 HG22 VAL A 74 -0.458 7.582 9.365 1.00 42.21 H new ATOM 0 HG23 VAL A 74 -0.372 8.876 8.147 1.00 42.21 H new ATOM 1183 N ASP A 75 2.961 5.049 7.627 1.00 75.13 N ATOM 1184 CA ASP A 75 3.660 3.909 7.056 1.00 41.25 C ATOM 1185 C ASP A 75 2.703 2.751 6.847 1.00 0.14 C ATOM 1186 O ASP A 75 2.025 2.312 7.778 1.00 23.42 O ATOM 1187 CB ASP A 75 4.813 3.458 7.958 1.00 41.23 C ATOM 1188 CG ASP A 75 5.950 4.455 8.005 1.00 70.21 C ATOM 1189 OD1 ASP A 75 5.832 5.463 8.731 1.00 61.14 O ATOM 1190 OD2 ASP A 75 6.977 4.227 7.330 1.00 12.52 O ATOM 0 H ASP A 75 3.037 5.124 8.641 1.00 75.13 H new ATOM 0 HA ASP A 75 4.069 4.221 6.095 1.00 41.25 H new ATOM 0 HB2 ASP A 75 4.436 3.297 8.968 1.00 41.23 H new ATOM 0 HB3 ASP A 75 5.192 2.500 7.603 1.00 41.23 H new ATOM 1195 N ILE A 76 2.646 2.265 5.620 1.00 60.13 N ATOM 1196 CA ILE A 76 1.849 1.101 5.295 1.00 51.32 C ATOM 1197 C ILE A 76 2.679 -0.144 5.588 1.00 34.15 C ATOM 1198 O ILE A 76 3.649 -0.433 4.883 1.00 1.43 O ATOM 1199 CB ILE A 76 1.432 1.099 3.803 1.00 55.22 C ATOM 1200 CG1 ILE A 76 1.072 2.516 3.321 1.00 31.31 C ATOM 1201 CG2 ILE A 76 0.265 0.148 3.582 1.00 34.52 C ATOM 1202 CD1 ILE A 76 -0.124 3.139 4.008 1.00 73.23 C ATOM 0 H ILE A 76 3.148 2.665 4.827 1.00 60.13 H new ATOM 0 HA ILE A 76 0.940 1.116 5.896 1.00 51.32 H new ATOM 0 HB ILE A 76 2.283 0.754 3.216 1.00 55.22 H new ATOM 0 HG12 ILE A 76 1.936 3.164 3.469 1.00 31.31 H new ATOM 0 HG13 ILE A 76 0.879 2.481 2.249 1.00 31.31 H new ATOM 0 HG21 ILE A 76 -0.017 0.157 2.529 1.00 34.52 H new ATOM 0 HG22 ILE A 76 0.558 -0.861 3.870 1.00 34.52 H new ATOM 0 HG23 ILE A 76 -0.583 0.466 4.188 1.00 34.52 H new ATOM 0 HD11 ILE A 76 -0.299 4.135 3.602 1.00 73.23 H new ATOM 0 HD12 ILE A 76 -1.004 2.519 3.840 1.00 73.23 H new ATOM 0 HD13 ILE A 76 0.069 3.213 5.078 1.00 73.23 H new ATOM 1214 N ILE A 77 2.313 -0.859 6.639 1.00 73.51 N ATOM 1215 CA ILE A 77 3.101 -1.987 7.115 1.00 52.32 C ATOM 1216 C ILE A 77 2.625 -3.293 6.491 1.00 62.02 C ATOM 1217 O ILE A 77 1.443 -3.625 6.554 1.00 34.41 O ATOM 1218 CB ILE A 77 3.035 -2.111 8.654 1.00 24.11 C ATOM 1219 CG1 ILE A 77 3.458 -0.793 9.309 1.00 64.22 C ATOM 1220 CG2 ILE A 77 3.920 -3.256 9.135 1.00 72.04 C ATOM 1221 CD1 ILE A 77 3.370 -0.811 10.819 1.00 40.00 C ATOM 0 H ILE A 77 1.469 -0.677 7.183 1.00 73.51 H new ATOM 0 HA ILE A 77 4.132 -1.800 6.816 1.00 52.32 H new ATOM 0 HB ILE A 77 2.007 -2.328 8.943 1.00 24.11 H new ATOM 0 HG12 ILE A 77 4.483 -0.564 9.016 1.00 64.22 H new ATOM 0 HG13 ILE A 77 2.830 0.011 8.926 1.00 64.22 H new ATOM 0 HG21 ILE A 77 3.862 -3.329 10.221 1.00 72.04 H new ATOM 0 HG22 ILE A 77 3.580 -4.191 8.689 1.00 72.04 H new ATOM 0 HG23 ILE A 77 4.952 -3.067 8.839 1.00 72.04 H new ATOM 0 HD11 ILE A 77 3.685 0.155 11.213 1.00 40.00 H new ATOM 0 HD12 ILE A 77 2.342 -1.009 11.121 1.00 40.00 H new ATOM 0 HD13 ILE A 77 4.020 -1.593 11.212 1.00 40.00 H new ATOM 1233 N LEU A 78 3.553 -4.023 5.893 1.00 42.41 N ATOM 1234 CA LEU A 78 3.246 -5.318 5.307 1.00 11.44 C ATOM 1235 C LEU A 78 3.206 -6.379 6.405 1.00 52.40 C ATOM 1236 O LEU A 78 4.237 -6.724 6.979 1.00 12.24 O ATOM 1237 CB LEU A 78 4.305 -5.682 4.256 1.00 65.11 C ATOM 1238 CG LEU A 78 4.026 -6.948 3.442 1.00 64.43 C ATOM 1239 CD1 LEU A 78 2.824 -6.745 2.536 1.00 62.42 C ATOM 1240 CD2 LEU A 78 5.251 -7.333 2.626 1.00 21.24 C ATOM 0 H LEU A 78 4.528 -3.739 5.801 1.00 42.41 H new ATOM 0 HA LEU A 78 2.272 -5.272 4.820 1.00 11.44 H new ATOM 0 HB2 LEU A 78 4.408 -4.844 3.566 1.00 65.11 H new ATOM 0 HB3 LEU A 78 5.264 -5.800 4.760 1.00 65.11 H new ATOM 0 HG LEU A 78 3.801 -7.761 4.132 1.00 64.43 H new ATOM 0 HD11 LEU A 78 2.641 -7.655 1.965 1.00 62.42 H new ATOM 0 HD12 LEU A 78 1.947 -6.513 3.141 1.00 62.42 H new ATOM 0 HD13 LEU A 78 3.020 -5.920 1.851 1.00 62.42 H new ATOM 0 HD21 LEU A 78 5.037 -8.235 2.053 1.00 21.24 H new ATOM 0 HD22 LEU A 78 5.504 -6.521 1.944 1.00 21.24 H new ATOM 0 HD23 LEU A 78 6.091 -7.519 3.296 1.00 21.24 H new ATOM 1252 N LEU A 79 2.015 -6.882 6.695 1.00 32.14 N ATOM 1253 CA LEU A 79 1.833 -7.881 7.742 1.00 22.02 C ATOM 1254 C LEU A 79 2.001 -9.278 7.170 1.00 42.11 C ATOM 1255 O LEU A 79 2.661 -10.133 7.759 1.00 64.53 O ATOM 1256 CB LEU A 79 0.434 -7.761 8.355 1.00 70.23 C ATOM 1257 CG LEU A 79 0.095 -6.409 8.978 1.00 52.33 C ATOM 1258 CD1 LEU A 79 -1.350 -6.407 9.456 1.00 51.35 C ATOM 1259 CD2 LEU A 79 1.038 -6.102 10.131 1.00 13.23 C ATOM 0 H LEU A 79 1.154 -6.614 6.218 1.00 32.14 H new ATOM 0 HA LEU A 79 2.585 -7.707 8.512 1.00 22.02 H new ATOM 0 HB2 LEU A 79 -0.301 -7.977 7.580 1.00 70.23 H new ATOM 0 HB3 LEU A 79 0.326 -8.530 9.120 1.00 70.23 H new ATOM 0 HG LEU A 79 0.217 -5.633 8.223 1.00 52.33 H new ATOM 0 HD11 LEU A 79 -1.585 -5.439 9.899 1.00 51.35 H new ATOM 0 HD12 LEU A 79 -2.013 -6.590 8.610 1.00 51.35 H new ATOM 0 HD13 LEU A 79 -1.488 -7.191 10.201 1.00 51.35 H new ATOM 0 HD21 LEU A 79 0.782 -5.135 10.563 1.00 13.23 H new ATOM 0 HD22 LEU A 79 0.945 -6.876 10.893 1.00 13.23 H new ATOM 0 HD23 LEU A 79 2.064 -6.075 9.764 1.00 13.23 H new ATOM 1271 N GLN A 80 1.412 -9.492 6.008 1.00 31.42 N ATOM 1272 CA GLN A 80 1.444 -10.790 5.366 1.00 61.34 C ATOM 1273 C GLN A 80 2.242 -10.695 4.079 1.00 53.32 C ATOM 1274 O GLN A 80 2.022 -9.795 3.270 1.00 70.33 O ATOM 1275 CB GLN A 80 0.016 -11.260 5.077 1.00 51.31 C ATOM 1276 CG GLN A 80 -0.073 -12.676 4.531 1.00 73.14 C ATOM 1277 CD GLN A 80 -1.505 -13.131 4.317 1.00 54.43 C ATOM 1278 OE1 GLN A 80 -2.391 -12.198 3.996 1.00 71.11 O flip ATOM 1279 NE2 GLN A 80 -1.818 -14.313 4.442 1.00 22.52 N flip ATOM 0 H GLN A 80 0.903 -8.777 5.488 1.00 31.42 H new ATOM 0 HA GLN A 80 1.921 -11.515 6.026 1.00 61.34 H new ATOM 0 HB2 GLN A 80 -0.568 -11.199 5.995 1.00 51.31 H new ATOM 0 HB3 GLN A 80 -0.442 -10.577 4.362 1.00 51.31 H new ATOM 0 HG2 GLN A 80 0.467 -12.731 3.586 1.00 73.14 H new ATOM 0 HG3 GLN A 80 0.422 -13.359 5.221 1.00 73.14 H new ATOM 0 HE21 GLN A 80 -1.110 -15.004 4.690 1.00 22.52 H new ATOM 0 HE22 GLN A 80 -2.785 -14.602 4.298 1.00 22.52 H new ATOM 1288 N ASP A 81 3.157 -11.622 3.883 1.00 11.35 N ATOM 1289 CA ASP A 81 4.016 -11.583 2.717 1.00 42.42 C ATOM 1290 C ASP A 81 3.834 -12.814 1.847 1.00 5.20 C ATOM 1291 O ASP A 81 4.067 -13.946 2.277 1.00 51.12 O ATOM 1292 CB ASP A 81 5.481 -11.438 3.121 1.00 4.24 C ATOM 1293 CG ASP A 81 6.408 -11.597 1.936 1.00 51.52 C ATOM 1294 OD1 ASP A 81 6.401 -10.724 1.043 1.00 2.42 O ATOM 1295 OD2 ASP A 81 7.143 -12.606 1.889 1.00 34.35 O ATOM 0 H ASP A 81 3.325 -12.407 4.512 1.00 11.35 H new ATOM 0 HA ASP A 81 3.726 -10.710 2.133 1.00 42.42 H new ATOM 0 HB2 ASP A 81 5.638 -10.460 3.577 1.00 4.24 H new ATOM 0 HB3 ASP A 81 5.725 -12.185 3.877 1.00 4.24 H new