USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 699 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 16 THR OG1 : rot 180:sc= 0.827 USER MOD Set 1.2: A 19 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 15 SER OG : rot -70:sc= 0.675 USER MOD Set 2.2: A 78 LYS NZ :NH3+ -174:sc= 0.0649 (180deg=-0.752) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.103 (180deg=-0.0315) USER MOD Single : A 2 HIS : no HD1:sc=-0.00334 X(o=-0.0033,f=-0.31) USER MOD Single : A 3 MET CE :methyl -179:sc= 0 (180deg=-0.00104) USER MOD Single : A 5 THR OG1 : rot 3:sc= 0.779 USER MOD Single : A 10 ASN : amide:sc= -0.054 K(o=-0.054,f=-1) USER MOD Single : A 12 ASN : amide:sc= -0.339 K(o=-0.34,f=-2.7!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 1.84 K(o=1.8,f=-4.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.19) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 44 GLN : amide:sc= -0.0086 X(o=-0.0086,f=-0.0086) USER MOD Single : A 46 ASN : amide:sc= 0.731 K(o=0.73,f=-3.7!) USER MOD Single : A 53 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.16) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -41:sc= 1.36 USER MOD Single : A 61 GLN : amide:sc= -0.415 X(o=-0.42,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.515 K(o=-0.52,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0511 X(o=-0.051,f=-0.37) USER MOD Single : A 70 HIS : no HD1:sc=-0.000994 X(o=-0.00099,f=0) USER MOD Single : A 74 THR OG1 : rot -140:sc= -0.036 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc= 0.882 (180deg=0.742) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.448 10.807 5.056 1.00 2.21 N ATOM 2 CA GLY A 1 7.765 11.300 4.655 1.00 1.34 C ATOM 3 C GLY A 1 7.639 12.160 3.413 1.00 23.32 C ATOM 4 O GLY A 1 6.542 12.590 3.042 1.00 15.32 O ATOM 0 H1 GLY A 1 6.259 11.084 6.040 1.00 2.21 H new ATOM 0 H2 GLY A 1 5.721 11.216 4.435 1.00 2.21 H new ATOM 0 H3 GLY A 1 6.427 9.770 4.978 1.00 2.21 H new ATOM 0 HA2 GLY A 1 8.208 11.879 5.465 1.00 1.34 H new ATOM 0 HA3 GLY A 1 8.433 10.461 4.460 1.00 1.34 H new ATOM 8 N HIS A 2 8.772 12.459 2.787 1.00 61.01 N ATOM 9 CA HIS A 2 8.875 13.326 1.628 1.00 24.12 C ATOM 10 C HIS A 2 10.150 12.904 0.904 1.00 4.32 C ATOM 11 O HIS A 2 11.180 12.763 1.565 1.00 55.33 O ATOM 12 CB HIS A 2 8.989 14.792 2.083 1.00 0.44 C ATOM 13 CG HIS A 2 7.688 15.507 2.380 1.00 23.32 C ATOM 14 ND1 HIS A 2 6.939 15.456 3.539 1.00 60.20 N ATOM 15 CD2 HIS A 2 7.058 16.375 1.533 1.00 0.54 C ATOM 16 CE1 HIS A 2 5.871 16.253 3.371 1.00 14.45 C ATOM 17 NE2 HIS A 2 5.885 16.819 2.152 1.00 63.13 N ATOM 0 H HIS A 2 9.674 12.089 3.087 1.00 61.01 H new ATOM 0 HA HIS A 2 8.001 13.244 0.982 1.00 24.12 H new ATOM 0 HB2 HIS A 2 9.609 14.825 2.979 1.00 0.44 H new ATOM 0 HB3 HIS A 2 9.517 15.350 1.309 1.00 0.44 H new ATOM 0 HD2 HIS A 2 7.406 16.668 0.554 1.00 0.54 H new ATOM 0 HE1 HIS A 2 5.105 16.417 4.114 1.00 14.45 H new ATOM 0 HE2 HIS A 2 5.183 17.445 1.758 1.00 63.13 H new ATOM 25 N MET A 3 10.116 12.783 -0.427 1.00 43.40 N ATOM 26 CA MET A 3 11.069 12.003 -1.236 1.00 11.21 C ATOM 27 C MET A 3 10.802 10.502 -1.085 1.00 1.24 C ATOM 28 O MET A 3 11.699 9.668 -1.196 1.00 24.05 O ATOM 29 CB MET A 3 12.543 12.393 -1.028 1.00 31.03 C ATOM 30 CG MET A 3 12.736 13.906 -1.140 1.00 34.33 C ATOM 31 SD MET A 3 14.427 14.431 -1.525 1.00 34.45 S ATOM 32 CE MET A 3 15.225 13.937 0.018 1.00 2.51 C ATOM 0 H MET A 3 9.401 13.240 -0.994 1.00 43.40 H new ATOM 0 HA MET A 3 10.887 12.265 -2.278 1.00 11.21 H new ATOM 0 HB2 MET A 3 12.877 12.053 -0.048 1.00 31.03 H new ATOM 0 HB3 MET A 3 13.163 11.889 -1.769 1.00 31.03 H new ATOM 0 HG2 MET A 3 12.068 14.287 -1.912 1.00 34.33 H new ATOM 0 HG3 MET A 3 12.433 14.367 -0.200 1.00 34.33 H new ATOM 0 HE1 MET A 3 16.283 14.198 -0.020 1.00 2.51 H new ATOM 0 HE2 MET A 3 14.753 14.454 0.853 1.00 2.51 H new ATOM 0 HE3 MET A 3 15.122 12.860 0.153 1.00 2.51 H new ATOM 42 N ASP A 4 9.540 10.157 -0.853 1.00 71.10 N ATOM 43 CA ASP A 4 9.047 8.821 -0.619 1.00 31.25 C ATOM 44 C ASP A 4 7.518 8.833 -0.753 1.00 4.22 C ATOM 45 O ASP A 4 6.822 9.585 -0.073 1.00 60.12 O ATOM 46 CB ASP A 4 9.512 8.280 0.750 1.00 1.31 C ATOM 47 CG ASP A 4 9.385 9.217 1.955 1.00 1.22 C ATOM 48 OD1 ASP A 4 8.303 9.222 2.576 1.00 75.33 O ATOM 49 OD2 ASP A 4 10.367 9.917 2.307 1.00 54.30 O ATOM 0 H ASP A 4 8.794 10.852 -0.823 1.00 71.10 H new ATOM 0 HA ASP A 4 9.460 8.140 -1.363 1.00 31.25 H new ATOM 0 HB2 ASP A 4 8.945 7.375 0.965 1.00 1.31 H new ATOM 0 HB3 ASP A 4 10.558 7.987 0.659 1.00 1.31 H new ATOM 54 N THR A 5 6.978 8.034 -1.669 1.00 2.33 N ATOM 55 CA THR A 5 5.683 7.361 -1.604 1.00 23.43 C ATOM 56 C THR A 5 5.806 6.007 -2.308 1.00 60.23 C ATOM 57 O THR A 5 6.333 5.921 -3.425 1.00 13.43 O ATOM 58 CB THR A 5 4.559 8.204 -2.228 1.00 32.01 C ATOM 59 OG1 THR A 5 4.473 9.472 -1.611 1.00 61.01 O ATOM 60 CG2 THR A 5 3.173 7.562 -2.129 1.00 31.15 C ATOM 0 H THR A 5 7.469 7.825 -2.538 1.00 2.33 H new ATOM 0 HA THR A 5 5.412 7.218 -0.558 1.00 23.43 H new ATOM 0 HB THR A 5 4.832 8.285 -3.280 1.00 32.01 H new ATOM 0 HG1 THR A 5 5.187 9.561 -0.946 1.00 61.01 H new ATOM 0 HG21 THR A 5 2.435 8.217 -2.591 1.00 31.15 H new ATOM 0 HG22 THR A 5 3.179 6.602 -2.644 1.00 31.15 H new ATOM 0 HG23 THR A 5 2.917 7.409 -1.081 1.00 31.15 H new ATOM 68 N ILE A 6 5.285 4.956 -1.677 1.00 52.41 N ATOM 69 CA ILE A 6 4.992 3.686 -2.334 1.00 1.22 C ATOM 70 C ILE A 6 3.472 3.695 -2.516 1.00 43.32 C ATOM 71 O ILE A 6 2.750 4.091 -1.597 1.00 33.55 O ATOM 72 CB ILE A 6 5.522 2.488 -1.505 1.00 41.20 C ATOM 73 CG1 ILE A 6 7.020 2.672 -1.160 1.00 54.34 C ATOM 74 CG2 ILE A 6 5.275 1.149 -2.224 1.00 73.10 C ATOM 75 CD1 ILE A 6 7.616 1.509 -0.366 1.00 1.32 C ATOM 0 H ILE A 6 5.052 4.964 -0.684 1.00 52.41 H new ATOM 0 HA ILE A 6 5.492 3.571 -3.296 1.00 1.22 H new ATOM 0 HB ILE A 6 4.963 2.462 -0.570 1.00 41.20 H new ATOM 0 HG12 ILE A 6 7.584 2.796 -2.085 1.00 54.34 H new ATOM 0 HG13 ILE A 6 7.141 3.591 -0.587 1.00 54.34 H new ATOM 0 HG21 ILE A 6 5.659 0.332 -1.614 1.00 73.10 H new ATOM 0 HG22 ILE A 6 4.205 1.012 -2.381 1.00 73.10 H new ATOM 0 HG23 ILE A 6 5.785 1.154 -3.187 1.00 73.10 H new ATOM 0 HD11 ILE A 6 8.668 1.709 -0.162 1.00 1.32 H new ATOM 0 HD12 ILE A 6 7.078 1.398 0.575 1.00 1.32 H new ATOM 0 HD13 ILE A 6 7.528 0.590 -0.945 1.00 1.32 H new ATOM 87 N ILE A 7 2.986 3.331 -3.700 1.00 3.34 N ATOM 88 CA ILE A 7 1.559 3.255 -4.017 1.00 31.14 C ATOM 89 C ILE A 7 1.190 1.772 -4.126 1.00 42.43 C ATOM 90 O ILE A 7 1.988 0.958 -4.595 1.00 74.23 O ATOM 91 CB ILE A 7 1.220 4.108 -5.274 1.00 21.34 C ATOM 92 CG1 ILE A 7 1.692 5.562 -5.060 1.00 71.50 C ATOM 93 CG2 ILE A 7 -0.273 4.048 -5.654 1.00 35.52 C ATOM 94 CD1 ILE A 7 1.286 6.552 -6.154 1.00 53.01 C ATOM 0 H ILE A 7 3.585 3.075 -4.485 1.00 3.34 H new ATOM 0 HA ILE A 7 0.945 3.693 -3.230 1.00 31.14 H new ATOM 0 HB ILE A 7 1.758 3.679 -6.120 1.00 21.34 H new ATOM 0 HG12 ILE A 7 1.298 5.917 -4.108 1.00 71.50 H new ATOM 0 HG13 ILE A 7 2.779 5.565 -4.976 1.00 71.50 H new ATOM 0 HG21 ILE A 7 -0.449 4.662 -6.537 1.00 35.52 H new ATOM 0 HG22 ILE A 7 -0.553 3.016 -5.867 1.00 35.52 H new ATOM 0 HG23 ILE A 7 -0.875 4.423 -4.826 1.00 35.52 H new ATOM 0 HD11 ILE A 7 1.667 7.543 -5.907 1.00 53.01 H new ATOM 0 HD12 ILE A 7 1.703 6.230 -7.109 1.00 53.01 H new ATOM 0 HD13 ILE A 7 0.199 6.589 -6.226 1.00 53.01 H new ATOM 106 N LEU A 8 -0.021 1.419 -3.697 1.00 44.13 N ATOM 107 CA LEU A 8 -0.602 0.089 -3.830 1.00 31.42 C ATOM 108 C LEU A 8 -1.749 0.178 -4.822 1.00 61.32 C ATOM 109 O LEU A 8 -2.406 1.219 -4.911 1.00 43.30 O ATOM 110 CB LEU A 8 -1.215 -0.414 -2.516 1.00 63.54 C ATOM 111 CG LEU A 8 -0.277 -0.763 -1.360 1.00 53.10 C ATOM 112 CD1 LEU A 8 0.340 0.488 -0.738 1.00 1.12 C ATOM 113 CD2 LEU A 8 -1.099 -1.459 -0.268 1.00 34.22 C ATOM 0 H LEU A 8 -0.645 2.077 -3.231 1.00 44.13 H new ATOM 0 HA LEU A 8 0.194 -0.588 -4.140 1.00 31.42 H new ATOM 0 HB2 LEU A 8 -1.909 0.348 -2.161 1.00 63.54 H new ATOM 0 HB3 LEU A 8 -1.805 -1.302 -2.744 1.00 63.54 H new ATOM 0 HG LEU A 8 0.520 -1.397 -1.748 1.00 53.10 H new ATOM 0 HD11 LEU A 8 1.000 0.200 0.080 1.00 1.12 H new ATOM 0 HD12 LEU A 8 0.912 1.026 -1.494 1.00 1.12 H new ATOM 0 HD13 LEU A 8 -0.452 1.132 -0.355 1.00 1.12 H new ATOM 0 HD21 LEU A 8 -0.449 -1.717 0.568 1.00 34.22 H new ATOM 0 HD22 LEU A 8 -1.886 -0.789 0.078 1.00 34.22 H new ATOM 0 HD23 LEU A 8 -1.547 -2.366 -0.673 1.00 34.22 H new ATOM 125 N ARG A 9 -2.082 -0.941 -5.462 1.00 3.23 N ATOM 126 CA ARG A 9 -3.258 -1.091 -6.317 1.00 10.31 C ATOM 127 C ARG A 9 -3.921 -2.428 -6.012 1.00 1.45 C ATOM 128 O ARG A 9 -3.368 -3.234 -5.259 1.00 32.23 O ATOM 129 CB ARG A 9 -2.841 -0.995 -7.792 1.00 73.50 C ATOM 130 CG ARG A 9 -2.283 0.373 -8.185 1.00 0.21 C ATOM 131 CD ARG A 9 -1.746 0.299 -9.622 1.00 2.33 C ATOM 132 NE ARG A 9 -2.703 0.919 -10.563 1.00 2.14 N ATOM 133 CZ ARG A 9 -3.036 2.220 -10.549 1.00 2.42 C ATOM 134 NH1 ARG A 9 -2.271 3.096 -9.894 1.00 35.33 N ATOM 135 NH2 ARG A 9 -4.133 2.648 -11.159 1.00 54.12 N ATOM 0 H ARG A 9 -1.525 -1.793 -5.398 1.00 3.23 H new ATOM 0 HA ARG A 9 -3.975 -0.294 -6.121 1.00 10.31 H new ATOM 0 HB2 ARG A 9 -2.089 -1.757 -7.998 1.00 73.50 H new ATOM 0 HB3 ARG A 9 -3.703 -1.220 -8.420 1.00 73.50 H new ATOM 0 HG2 ARG A 9 -3.062 1.132 -8.113 1.00 0.21 H new ATOM 0 HG3 ARG A 9 -1.487 0.666 -7.500 1.00 0.21 H new ATOM 0 HD2 ARG A 9 -0.784 0.808 -9.684 1.00 2.33 H new ATOM 0 HD3 ARG A 9 -1.575 -0.741 -9.900 1.00 2.33 H new ATOM 0 HE ARG A 9 -3.137 0.322 -11.266 1.00 2.14 H new ATOM 0 HH11 ARG A 9 -1.435 2.777 -9.405 1.00 35.33 H new ATOM 0 HH12 ARG A 9 -2.523 4.084 -9.883 1.00 35.33 H new ATOM 0 HH21 ARG A 9 -4.736 1.986 -11.647 1.00 54.12 H new ATOM 0 HH22 ARG A 9 -4.373 3.639 -11.140 1.00 54.12 H new ATOM 149 N ASN A 10 -5.090 -2.649 -6.611 1.00 70.53 N ATOM 150 CA ASN A 10 -5.936 -3.827 -6.444 1.00 74.32 C ATOM 151 C ASN A 10 -6.416 -4.028 -5.002 1.00 70.41 C ATOM 152 O ASN A 10 -6.697 -5.140 -4.565 1.00 71.51 O ATOM 153 CB ASN A 10 -5.283 -5.076 -7.056 1.00 45.30 C ATOM 154 CG ASN A 10 -6.311 -6.183 -7.261 1.00 53.03 C ATOM 155 OD1 ASN A 10 -7.444 -5.923 -7.667 1.00 31.43 O ATOM 156 ND2 ASN A 10 -5.956 -7.419 -6.972 1.00 62.40 N ATOM 0 H ASN A 10 -5.493 -1.974 -7.261 1.00 70.53 H new ATOM 0 HA ASN A 10 -6.850 -3.646 -7.010 1.00 74.32 H new ATOM 0 HB2 ASN A 10 -4.823 -4.820 -8.011 1.00 45.30 H new ATOM 0 HB3 ASN A 10 -4.486 -5.431 -6.403 1.00 45.30 H new ATOM 0 HD21 ASN A 10 -6.625 -8.181 -7.083 1.00 62.40 H new ATOM 0 HD22 ASN A 10 -5.012 -7.614 -6.637 1.00 62.40 H new ATOM 163 N LEU A 11 -6.536 -2.959 -4.214 1.00 53.14 N ATOM 164 CA LEU A 11 -7.254 -3.007 -2.957 1.00 23.31 C ATOM 165 C LEU A 11 -8.724 -3.250 -3.313 1.00 44.01 C ATOM 166 O LEU A 11 -9.330 -2.400 -3.965 1.00 71.14 O ATOM 167 CB LEU A 11 -7.118 -1.654 -2.246 1.00 0.25 C ATOM 168 CG LEU A 11 -5.716 -1.147 -1.861 1.00 75.14 C ATOM 169 CD1 LEU A 11 -5.053 -1.924 -0.732 1.00 42.24 C ATOM 170 CD2 LEU A 11 -4.705 -1.005 -2.988 1.00 60.11 C ATOM 0 H LEU A 11 -6.139 -2.046 -4.434 1.00 53.14 H new ATOM 0 HA LEU A 11 -6.867 -3.786 -2.301 1.00 23.31 H new ATOM 0 HB2 LEU A 11 -7.576 -0.899 -2.886 1.00 0.25 H new ATOM 0 HB3 LEU A 11 -7.712 -1.701 -1.333 1.00 0.25 H new ATOM 0 HG LEU A 11 -5.972 -0.142 -1.525 1.00 75.14 H new ATOM 0 HD11 LEU A 11 -4.070 -1.500 -0.526 1.00 42.24 H new ATOM 0 HD12 LEU A 11 -5.670 -1.861 0.164 1.00 42.24 H new ATOM 0 HD13 LEU A 11 -4.943 -2.968 -1.024 1.00 42.24 H new ATOM 0 HD21 LEU A 11 -3.760 -0.640 -2.585 1.00 60.11 H new ATOM 0 HD22 LEU A 11 -4.548 -1.975 -3.460 1.00 60.11 H new ATOM 0 HD23 LEU A 11 -5.081 -0.298 -3.727 1.00 60.11 H new ATOM 182 N ASN A 12 -9.297 -4.389 -2.913 1.00 31.21 N ATOM 183 CA ASN A 12 -10.712 -4.668 -3.174 1.00 22.32 C ATOM 184 C ASN A 12 -11.584 -3.582 -2.552 1.00 13.22 C ATOM 185 O ASN A 12 -11.188 -2.964 -1.558 1.00 62.40 O ATOM 186 CB ASN A 12 -11.150 -6.058 -2.653 1.00 52.30 C ATOM 187 CG ASN A 12 -11.413 -7.058 -3.774 1.00 52.33 C ATOM 188 OD1 ASN A 12 -10.951 -6.892 -4.903 1.00 70.24 O ATOM 189 ND2 ASN A 12 -12.153 -8.104 -3.480 1.00 72.40 N ATOM 0 H ASN A 12 -8.806 -5.129 -2.410 1.00 31.21 H new ATOM 0 HA ASN A 12 -10.842 -4.673 -4.256 1.00 22.32 H new ATOM 0 HB2 ASN A 12 -10.377 -6.454 -1.995 1.00 52.30 H new ATOM 0 HB3 ASN A 12 -12.053 -5.947 -2.053 1.00 52.30 H new ATOM 0 HD21 ASN A 12 -12.357 -8.802 -4.195 1.00 72.40 H new ATOM 0 HD22 ASN A 12 -12.524 -8.218 -2.537 1.00 72.40 H new ATOM 196 N PRO A 13 -12.807 -3.395 -3.066 1.00 42.03 N ATOM 197 CA PRO A 13 -13.679 -2.299 -2.668 1.00 42.11 C ATOM 198 C PRO A 13 -14.000 -2.338 -1.168 1.00 2.32 C ATOM 199 O PRO A 13 -13.978 -1.299 -0.498 1.00 64.53 O ATOM 200 CB PRO A 13 -14.908 -2.441 -3.576 1.00 23.45 C ATOM 201 CG PRO A 13 -14.891 -3.882 -4.067 1.00 61.11 C ATOM 202 CD PRO A 13 -13.407 -4.168 -4.144 1.00 53.24 C ATOM 0 HA PRO A 13 -13.217 -1.320 -2.795 1.00 42.11 H new ATOM 0 HB2 PRO A 13 -15.826 -2.224 -3.030 1.00 23.45 H new ATOM 0 HB3 PRO A 13 -14.861 -1.742 -4.411 1.00 23.45 H new ATOM 0 HG2 PRO A 13 -15.401 -4.554 -3.377 1.00 61.11 H new ATOM 0 HG3 PRO A 13 -15.378 -3.989 -5.036 1.00 61.11 H new ATOM 0 HD2 PRO A 13 -13.205 -5.232 -4.023 1.00 53.24 H new ATOM 0 HD3 PRO A 13 -13.000 -3.874 -5.112 1.00 53.24 H new ATOM 210 N HIS A 14 -14.226 -3.543 -0.633 1.00 45.20 N ATOM 211 CA HIS A 14 -14.570 -3.769 0.767 1.00 72.50 C ATOM 212 C HIS A 14 -13.370 -4.229 1.613 1.00 23.31 C ATOM 213 O HIS A 14 -13.547 -4.672 2.751 1.00 34.53 O ATOM 214 CB HIS A 14 -15.709 -4.796 0.809 1.00 62.33 C ATOM 215 CG HIS A 14 -17.047 -4.252 0.380 1.00 61.20 C ATOM 216 ND1 HIS A 14 -17.752 -3.272 1.037 1.00 34.21 N ATOM 217 CD2 HIS A 14 -17.822 -4.699 -0.656 1.00 64.33 C ATOM 218 CE1 HIS A 14 -18.929 -3.123 0.414 1.00 11.21 C ATOM 219 NE2 HIS A 14 -19.022 -3.981 -0.619 1.00 12.41 N ATOM 0 H HIS A 14 -14.173 -4.404 -1.177 1.00 45.20 H new ATOM 0 HA HIS A 14 -14.887 -2.825 1.210 1.00 72.50 H new ATOM 0 HB2 HIS A 14 -15.449 -5.637 0.167 1.00 62.33 H new ATOM 0 HB3 HIS A 14 -15.796 -5.185 1.824 1.00 62.33 H new ATOM 0 HD2 HIS A 14 -17.556 -5.464 -1.370 1.00 64.33 H new ATOM 0 HE1 HIS A 14 -19.694 -2.416 0.700 1.00 11.21 H new ATOM 0 HE2 HIS A 14 -19.814 -4.087 -1.252 1.00 12.41 H new ATOM 227 N SER A 15 -12.140 -4.102 1.105 1.00 31.23 N ATOM 228 CA SER A 15 -10.951 -4.249 1.934 1.00 32.22 C ATOM 229 C SER A 15 -10.748 -3.018 2.819 1.00 22.35 C ATOM 230 O SER A 15 -11.361 -1.976 2.585 1.00 32.24 O ATOM 231 CB SER A 15 -9.739 -4.490 1.034 1.00 31.54 C ATOM 232 OG SER A 15 -9.887 -5.724 0.352 1.00 51.21 O ATOM 0 H SER A 15 -11.947 -3.898 0.124 1.00 31.23 H new ATOM 0 HA SER A 15 -11.076 -5.105 2.597 1.00 32.22 H new ATOM 0 HB2 SER A 15 -9.640 -3.676 0.316 1.00 31.54 H new ATOM 0 HB3 SER A 15 -8.827 -4.501 1.631 1.00 31.54 H new ATOM 0 HG SER A 15 -9.795 -6.463 0.989 1.00 51.21 H new ATOM 238 N THR A 16 -9.847 -3.108 3.796 1.00 33.15 N ATOM 239 CA THR A 16 -9.558 -2.032 4.745 1.00 15.01 C ATOM 240 C THR A 16 -8.058 -1.731 4.698 1.00 63.40 C ATOM 241 O THR A 16 -7.395 -2.087 3.718 1.00 12.44 O ATOM 242 CB THR A 16 -10.121 -2.353 6.147 1.00 2.25 C ATOM 243 OG1 THR A 16 -9.231 -3.136 6.899 1.00 0.15 O ATOM 244 CG2 THR A 16 -11.455 -3.095 6.104 1.00 60.50 C ATOM 0 H THR A 16 -9.287 -3.946 3.954 1.00 33.15 H new ATOM 0 HA THR A 16 -10.073 -1.113 4.464 1.00 15.01 H new ATOM 0 HB THR A 16 -10.267 -1.379 6.613 1.00 2.25 H new ATOM 0 HG1 THR A 16 -9.620 -3.318 7.780 1.00 0.15 H new ATOM 0 HG21 THR A 16 -11.796 -3.290 7.121 1.00 60.50 H new ATOM 0 HG22 THR A 16 -12.194 -2.485 5.584 1.00 60.50 H new ATOM 0 HG23 THR A 16 -11.329 -4.040 5.576 1.00 60.50 H new ATOM 252 N MET A 17 -7.518 -1.017 5.690 1.00 32.34 N ATOM 253 CA MET A 17 -6.077 -1.001 5.911 1.00 64.11 C ATOM 254 C MET A 17 -5.744 -2.162 6.829 1.00 71.24 C ATOM 255 O MET A 17 -5.074 -3.085 6.392 1.00 24.13 O ATOM 256 CB MET A 17 -5.610 0.353 6.443 1.00 32.42 C ATOM 257 CG MET A 17 -6.078 0.781 7.839 1.00 4.25 C ATOM 258 SD MET A 17 -5.753 2.513 8.254 1.00 54.11 S ATOM 259 CE MET A 17 -4.004 2.414 8.711 1.00 24.42 C ATOM 0 H MET A 17 -8.055 -0.449 6.345 1.00 32.34 H new ATOM 0 HA MET A 17 -5.535 -1.130 4.974 1.00 64.11 H new ATOM 0 HB2 MET A 17 -4.520 0.354 6.442 1.00 32.42 H new ATOM 0 HB3 MET A 17 -5.930 1.118 5.735 1.00 32.42 H new ATOM 0 HG2 MET A 17 -7.150 0.598 7.919 1.00 4.25 H new ATOM 0 HG3 MET A 17 -5.590 0.147 8.580 1.00 4.25 H new ATOM 0 HE1 MET A 17 -3.646 3.403 8.995 1.00 24.42 H new ATOM 0 HE2 MET A 17 -3.886 1.730 9.551 1.00 24.42 H new ATOM 0 HE3 MET A 17 -3.426 2.049 7.862 1.00 24.42 H new ATOM 269 N ASP A 18 -6.313 -2.176 8.035 1.00 53.03 N ATOM 270 CA ASP A 18 -6.132 -3.163 9.093 1.00 3.23 C ATOM 271 C ASP A 18 -6.176 -4.596 8.584 1.00 4.41 C ATOM 272 O ASP A 18 -5.335 -5.420 8.943 1.00 4.23 O ATOM 273 CB ASP A 18 -7.242 -2.916 10.128 1.00 54.13 C ATOM 274 CG ASP A 18 -7.472 -4.085 11.092 1.00 61.33 C ATOM 275 OD1 ASP A 18 -6.509 -4.616 11.685 1.00 44.23 O ATOM 276 OD2 ASP A 18 -8.657 -4.487 11.194 1.00 3.21 O ATOM 0 H ASP A 18 -6.961 -1.440 8.316 1.00 53.03 H new ATOM 0 HA ASP A 18 -5.141 -3.045 9.531 1.00 3.23 H new ATOM 0 HB2 ASP A 18 -6.993 -2.026 10.706 1.00 54.13 H new ATOM 0 HB3 ASP A 18 -8.173 -2.704 9.602 1.00 54.13 H new ATOM 281 N SER A 19 -7.131 -4.897 7.724 1.00 43.14 N ATOM 282 CA SER A 19 -7.353 -6.266 7.261 1.00 12.41 C ATOM 283 C SER A 19 -6.291 -6.731 6.263 1.00 5.44 C ATOM 284 O SER A 19 -6.099 -7.932 6.092 1.00 41.01 O ATOM 285 CB SER A 19 -8.778 -6.447 6.762 1.00 30.34 C ATOM 286 OG SER A 19 -9.688 -6.386 7.843 1.00 64.40 O ATOM 0 H SER A 19 -7.773 -4.211 7.326 1.00 43.14 H new ATOM 0 HA SER A 19 -7.235 -6.929 8.118 1.00 12.41 H new ATOM 0 HB2 SER A 19 -9.016 -5.673 6.033 1.00 30.34 H new ATOM 0 HB3 SER A 19 -8.873 -7.405 6.252 1.00 30.34 H new ATOM 0 HG SER A 19 -10.602 -6.502 7.508 1.00 64.40 H new ATOM 292 N ILE A 20 -5.632 -5.799 5.576 1.00 70.42 N ATOM 293 CA ILE A 20 -4.453 -6.078 4.770 1.00 64.32 C ATOM 294 C ILE A 20 -3.223 -6.039 5.682 1.00 62.10 C ATOM 295 O ILE A 20 -2.382 -6.927 5.604 1.00 62.10 O ATOM 296 CB ILE A 20 -4.367 -5.067 3.603 1.00 74.13 C ATOM 297 CG1 ILE A 20 -5.685 -5.101 2.790 1.00 65.53 C ATOM 298 CG2 ILE A 20 -3.138 -5.345 2.715 1.00 11.42 C ATOM 299 CD1 ILE A 20 -5.674 -4.177 1.578 1.00 74.41 C ATOM 0 H ILE A 20 -5.909 -4.817 5.566 1.00 70.42 H new ATOM 0 HA ILE A 20 -4.508 -7.070 4.321 1.00 64.32 H new ATOM 0 HB ILE A 20 -4.239 -4.064 4.009 1.00 74.13 H new ATOM 0 HG12 ILE A 20 -5.871 -6.122 2.457 1.00 65.53 H new ATOM 0 HG13 ILE A 20 -6.513 -4.822 3.442 1.00 65.53 H new ATOM 0 HG21 ILE A 20 -3.104 -4.619 1.903 1.00 11.42 H new ATOM 0 HG22 ILE A 20 -2.231 -5.263 3.313 1.00 11.42 H new ATOM 0 HG23 ILE A 20 -3.209 -6.350 2.300 1.00 11.42 H new ATOM 0 HD11 ILE A 20 -6.628 -4.251 1.055 1.00 74.41 H new ATOM 0 HD12 ILE A 20 -5.519 -3.149 1.906 1.00 74.41 H new ATOM 0 HD13 ILE A 20 -4.868 -4.469 0.905 1.00 74.41 H new ATOM 311 N LEU A 21 -3.101 -5.026 6.543 1.00 11.35 N ATOM 312 CA LEU A 21 -1.935 -4.796 7.392 1.00 42.04 C ATOM 313 C LEU A 21 -1.678 -5.986 8.311 1.00 2.22 C ATOM 314 O LEU A 21 -0.523 -6.355 8.500 1.00 10.12 O ATOM 315 CB LEU A 21 -2.109 -3.500 8.212 1.00 62.42 C ATOM 316 CG LEU A 21 -1.939 -2.205 7.390 1.00 22.53 C ATOM 317 CD1 LEU A 21 -2.307 -0.974 8.219 1.00 0.22 C ATOM 318 CD2 LEU A 21 -0.499 -2.029 6.901 1.00 62.52 C ATOM 0 H LEU A 21 -3.831 -4.326 6.671 1.00 11.35 H new ATOM 0 HA LEU A 21 -1.065 -4.681 6.745 1.00 42.04 H new ATOM 0 HB2 LEU A 21 -3.100 -3.501 8.667 1.00 62.42 H new ATOM 0 HB3 LEU A 21 -1.384 -3.498 9.026 1.00 62.42 H new ATOM 0 HG LEU A 21 -2.607 -2.297 6.534 1.00 22.53 H new ATOM 0 HD11 LEU A 21 -2.178 -0.076 7.614 1.00 0.22 H new ATOM 0 HD12 LEU A 21 -3.346 -1.049 8.540 1.00 0.22 H new ATOM 0 HD13 LEU A 21 -1.660 -0.918 9.094 1.00 0.22 H new ATOM 0 HD21 LEU A 21 -0.420 -1.106 6.326 1.00 62.52 H new ATOM 0 HD22 LEU A 21 0.173 -1.982 7.758 1.00 62.52 H new ATOM 0 HD23 LEU A 21 -0.223 -2.874 6.270 1.00 62.52 H new ATOM 330 N GLY A 22 -2.730 -6.619 8.831 1.00 14.33 N ATOM 331 CA GLY A 22 -2.609 -7.773 9.707 1.00 71.41 C ATOM 332 C GLY A 22 -2.483 -9.104 8.966 1.00 61.12 C ATOM 333 O GLY A 22 -2.654 -10.146 9.597 1.00 72.11 O ATOM 0 H GLY A 22 -3.694 -6.339 8.652 1.00 14.33 H new ATOM 0 HA2 GLY A 22 -1.737 -7.641 10.347 1.00 71.41 H new ATOM 0 HA3 GLY A 22 -3.480 -7.813 10.360 1.00 71.41 H new ATOM 337 N ALA A 23 -2.199 -9.092 7.659 1.00 3.25 N ATOM 338 CA ALA A 23 -2.080 -10.294 6.839 1.00 64.50 C ATOM 339 C ALA A 23 -0.946 -10.207 5.806 1.00 14.21 C ATOM 340 O ALA A 23 -0.399 -11.233 5.404 1.00 10.43 O ATOM 341 CB ALA A 23 -3.428 -10.538 6.162 1.00 25.35 C ATOM 0 H ALA A 23 -2.043 -8.230 7.136 1.00 3.25 H new ATOM 0 HA ALA A 23 -1.817 -11.133 7.484 1.00 64.50 H new ATOM 0 HB1 ALA A 23 -3.367 -11.432 5.542 1.00 25.35 H new ATOM 0 HB2 ALA A 23 -4.197 -10.675 6.922 1.00 25.35 H new ATOM 0 HB3 ALA A 23 -3.683 -9.681 5.539 1.00 25.35 H new ATOM 347 N LEU A 24 -0.562 -9.000 5.391 1.00 11.41 N ATOM 348 CA LEU A 24 0.421 -8.702 4.354 1.00 70.54 C ATOM 349 C LEU A 24 1.641 -8.029 5.008 1.00 43.43 C ATOM 350 O LEU A 24 2.268 -7.138 4.427 1.00 72.41 O ATOM 351 CB LEU A 24 -0.276 -7.876 3.245 1.00 3.33 C ATOM 352 CG LEU A 24 0.255 -8.099 1.812 1.00 51.33 C ATOM 353 CD1 LEU A 24 -0.710 -7.483 0.787 1.00 74.20 C ATOM 354 CD2 LEU A 24 1.634 -7.492 1.568 1.00 44.32 C ATOM 0 H LEU A 24 -0.955 -8.151 5.797 1.00 11.41 H new ATOM 0 HA LEU A 24 0.807 -9.596 3.865 1.00 70.54 H new ATOM 0 HB2 LEU A 24 -1.341 -8.109 3.259 1.00 3.33 H new ATOM 0 HB3 LEU A 24 -0.178 -6.818 3.489 1.00 3.33 H new ATOM 0 HG LEU A 24 0.333 -9.180 1.696 1.00 51.33 H new ATOM 0 HD11 LEU A 24 -0.325 -7.647 -0.219 1.00 74.20 H new ATOM 0 HD12 LEU A 24 -1.689 -7.952 0.882 1.00 74.20 H new ATOM 0 HD13 LEU A 24 -0.801 -6.413 0.971 1.00 74.20 H new ATOM 0 HD21 LEU A 24 1.941 -7.688 0.541 1.00 44.32 H new ATOM 0 HD22 LEU A 24 1.592 -6.416 1.735 1.00 44.32 H new ATOM 0 HD23 LEU A 24 2.354 -7.938 2.254 1.00 44.32 H new ATOM 366 N ALA A 25 2.022 -8.461 6.218 1.00 73.44 N ATOM 367 CA ALA A 25 3.233 -7.987 6.883 1.00 1.33 C ATOM 368 C ALA A 25 4.307 -9.079 7.129 1.00 43.10 C ATOM 369 O ALA A 25 4.785 -9.225 8.257 1.00 5.11 O ATOM 370 CB ALA A 25 2.788 -7.321 8.171 1.00 33.13 C ATOM 0 H ALA A 25 1.497 -9.148 6.759 1.00 73.44 H new ATOM 0 HA ALA A 25 3.745 -7.285 6.225 1.00 1.33 H new ATOM 0 HB1 ALA A 25 3.660 -6.948 8.708 1.00 33.13 H new ATOM 0 HB2 ALA A 25 2.122 -6.490 7.940 1.00 33.13 H new ATOM 0 HB3 ALA A 25 2.262 -8.046 8.792 1.00 33.13 H new ATOM 376 N PRO A 26 4.753 -9.834 6.104 1.00 4.21 N ATOM 377 CA PRO A 26 5.827 -10.818 6.231 1.00 51.41 C ATOM 378 C PRO A 26 7.251 -10.253 6.113 1.00 65.01 C ATOM 379 O PRO A 26 8.185 -10.978 6.471 1.00 24.25 O ATOM 380 CB PRO A 26 5.582 -11.824 5.104 1.00 1.33 C ATOM 381 CG PRO A 26 4.869 -11.017 4.027 1.00 33.12 C ATOM 382 CD PRO A 26 4.094 -9.981 4.822 1.00 14.22 C ATOM 0 HA PRO A 26 5.791 -11.245 7.233 1.00 51.41 H new ATOM 0 HB2 PRO A 26 6.518 -12.242 4.734 1.00 1.33 H new ATOM 0 HB3 PRO A 26 4.972 -12.661 5.444 1.00 1.33 H new ATOM 0 HG2 PRO A 26 5.575 -10.551 3.340 1.00 33.12 H new ATOM 0 HG3 PRO A 26 4.207 -11.642 3.428 1.00 33.12 H new ATOM 0 HD2 PRO A 26 4.071 -9.029 4.291 1.00 14.22 H new ATOM 0 HD3 PRO A 26 3.059 -10.296 4.957 1.00 14.22 H new ATOM 390 N TYR A 27 7.452 -9.031 5.593 1.00 53.32 N ATOM 391 CA TYR A 27 8.798 -8.470 5.374 1.00 73.03 C ATOM 392 C TYR A 27 8.952 -7.035 5.876 1.00 42.21 C ATOM 393 O TYR A 27 10.069 -6.637 6.215 1.00 72.12 O ATOM 394 CB TYR A 27 9.189 -8.534 3.889 1.00 61.02 C ATOM 395 CG TYR A 27 9.162 -9.935 3.317 1.00 10.15 C ATOM 396 CD1 TYR A 27 10.238 -10.814 3.527 1.00 41.40 C ATOM 397 CD2 TYR A 27 8.031 -10.374 2.613 1.00 21.32 C ATOM 398 CE1 TYR A 27 10.163 -12.137 3.064 1.00 62.42 C ATOM 399 CE2 TYR A 27 7.928 -11.706 2.178 1.00 3.23 C ATOM 400 CZ TYR A 27 8.995 -12.601 2.417 1.00 33.21 C ATOM 401 OH TYR A 27 8.889 -13.909 2.052 1.00 43.13 O ATOM 0 H TYR A 27 6.694 -8.408 5.314 1.00 53.32 H new ATOM 0 HA TYR A 27 9.470 -9.093 5.964 1.00 73.03 H new ATOM 0 HB2 TYR A 27 8.510 -7.903 3.315 1.00 61.02 H new ATOM 0 HB3 TYR A 27 10.190 -8.120 3.767 1.00 61.02 H new ATOM 0 HD1 TYR A 27 11.122 -10.472 4.044 1.00 41.40 H new ATOM 0 HD2 TYR A 27 7.230 -9.680 2.403 1.00 21.32 H new ATOM 0 HE1 TYR A 27 11.001 -12.803 3.203 1.00 62.42 H new ATOM 0 HE2 TYR A 27 7.040 -12.043 1.665 1.00 3.23 H new ATOM 0 HH TYR A 27 8.022 -14.059 1.620 1.00 43.13 H new ATOM 411 N ALA A 28 7.866 -6.266 5.930 1.00 4.22 N ATOM 412 CA ALA A 28 7.763 -4.960 6.568 1.00 13.41 C ATOM 413 C ALA A 28 6.401 -4.914 7.255 1.00 53.12 C ATOM 414 O ALA A 28 5.487 -5.635 6.838 1.00 62.43 O ATOM 415 CB ALA A 28 7.885 -3.847 5.522 1.00 3.13 C ATOM 0 H ALA A 28 6.986 -6.557 5.505 1.00 4.22 H new ATOM 0 HA ALA A 28 8.564 -4.809 7.292 1.00 13.41 H new ATOM 0 HB1 ALA A 28 7.806 -2.877 6.012 1.00 3.13 H new ATOM 0 HB2 ALA A 28 8.850 -3.923 5.021 1.00 3.13 H new ATOM 0 HB3 ALA A 28 7.086 -3.948 4.788 1.00 3.13 H new ATOM 421 N VAL A 29 6.256 -4.079 8.280 1.00 45.34 N ATOM 422 CA VAL A 29 5.129 -4.100 9.200 1.00 64.30 C ATOM 423 C VAL A 29 4.769 -2.642 9.484 1.00 22.41 C ATOM 424 O VAL A 29 5.213 -2.048 10.466 1.00 4.32 O ATOM 425 CB VAL A 29 5.484 -4.913 10.468 1.00 34.02 C ATOM 426 CG1 VAL A 29 4.210 -5.238 11.254 1.00 51.52 C ATOM 427 CG2 VAL A 29 6.213 -6.235 10.187 1.00 4.51 C ATOM 0 H VAL A 29 6.938 -3.352 8.497 1.00 45.34 H new ATOM 0 HA VAL A 29 4.258 -4.602 8.778 1.00 64.30 H new ATOM 0 HB VAL A 29 6.164 -4.278 11.035 1.00 34.02 H new ATOM 0 HG11 VAL A 29 4.468 -5.810 12.145 1.00 51.52 H new ATOM 0 HG12 VAL A 29 3.718 -4.311 11.548 1.00 51.52 H new ATOM 0 HG13 VAL A 29 3.536 -5.824 10.629 1.00 51.52 H new ATOM 0 HG21 VAL A 29 6.424 -6.741 11.129 1.00 4.51 H new ATOM 0 HG22 VAL A 29 5.584 -6.872 9.565 1.00 4.51 H new ATOM 0 HG23 VAL A 29 7.149 -6.031 9.667 1.00 4.51 H new ATOM 437 N LEU A 30 4.015 -2.035 8.575 1.00 32.03 N ATOM 438 CA LEU A 30 3.794 -0.597 8.551 1.00 3.13 C ATOM 439 C LEU A 30 2.998 -0.170 9.784 1.00 60.43 C ATOM 440 O LEU A 30 2.082 -0.865 10.229 1.00 55.51 O ATOM 441 CB LEU A 30 3.074 -0.217 7.253 1.00 1.22 C ATOM 442 CG LEU A 30 3.893 -0.560 5.989 1.00 54.30 C ATOM 443 CD1 LEU A 30 2.981 -0.615 4.764 1.00 71.43 C ATOM 444 CD2 LEU A 30 5.023 0.451 5.765 1.00 54.21 C ATOM 0 H LEU A 30 3.535 -2.535 7.826 1.00 32.03 H new ATOM 0 HA LEU A 30 4.749 -0.072 8.578 1.00 3.13 H new ATOM 0 HB2 LEU A 30 2.116 -0.734 7.210 1.00 1.22 H new ATOM 0 HB3 LEU A 30 2.859 0.852 7.262 1.00 1.22 H new ATOM 0 HG LEU A 30 4.345 -1.541 6.139 1.00 54.30 H new ATOM 0 HD11 LEU A 30 3.572 -0.858 3.881 1.00 71.43 H new ATOM 0 HD12 LEU A 30 2.219 -1.380 4.912 1.00 71.43 H new ATOM 0 HD13 LEU A 30 2.501 0.353 4.624 1.00 71.43 H new ATOM 0 HD21 LEU A 30 5.580 0.181 4.868 1.00 54.21 H new ATOM 0 HD22 LEU A 30 4.600 1.448 5.643 1.00 54.21 H new ATOM 0 HD23 LEU A 30 5.693 0.444 6.624 1.00 54.21 H new ATOM 456 N SER A 31 3.321 1.001 10.320 1.00 71.40 N ATOM 457 CA SER A 31 2.867 1.498 11.614 1.00 14.32 C ATOM 458 C SER A 31 1.504 2.193 11.507 1.00 73.42 C ATOM 459 O SER A 31 1.289 3.215 12.152 1.00 55.11 O ATOM 460 CB SER A 31 3.940 2.439 12.185 1.00 1.14 C ATOM 461 OG SER A 31 5.209 1.804 12.232 1.00 74.40 O ATOM 0 H SER A 31 3.935 1.661 9.842 1.00 71.40 H new ATOM 0 HA SER A 31 2.727 0.657 12.293 1.00 14.32 H new ATOM 0 HB2 SER A 31 4.003 3.338 11.571 1.00 1.14 H new ATOM 0 HB3 SER A 31 3.652 2.757 13.187 1.00 1.14 H new ATOM 0 HG SER A 31 5.873 2.426 12.598 1.00 74.40 H new ATOM 467 N SER A 32 0.604 1.675 10.662 1.00 21.35 N ATOM 468 CA SER A 32 -0.730 2.193 10.357 1.00 2.11 C ATOM 469 C SER A 32 -0.738 3.607 9.765 1.00 34.12 C ATOM 470 O SER A 32 -1.127 3.747 8.608 1.00 62.52 O ATOM 471 CB SER A 32 -1.632 2.074 11.581 1.00 55.21 C ATOM 472 OG SER A 32 -1.781 0.716 11.937 1.00 73.44 O ATOM 0 H SER A 32 0.806 0.823 10.138 1.00 21.35 H new ATOM 0 HA SER A 32 -1.132 1.567 9.560 1.00 2.11 H new ATOM 0 HB2 SER A 32 -1.205 2.633 12.414 1.00 55.21 H new ATOM 0 HB3 SER A 32 -2.607 2.513 11.369 1.00 55.21 H new ATOM 0 HG SER A 32 -2.360 0.646 12.725 1.00 73.44 H new ATOM 478 N SER A 33 -0.298 4.629 10.498 1.00 52.03 N ATOM 479 CA SER A 33 -0.185 6.020 10.077 1.00 23.42 C ATOM 480 C SER A 33 0.554 6.143 8.742 1.00 3.34 C ATOM 481 O SER A 33 0.165 6.956 7.898 1.00 41.31 O ATOM 482 CB SER A 33 0.520 6.793 11.202 1.00 55.10 C ATOM 483 OG SER A 33 0.621 8.173 10.954 1.00 44.32 O ATOM 0 H SER A 33 0.008 4.496 11.462 1.00 52.03 H new ATOM 0 HA SER A 33 -1.174 6.444 9.906 1.00 23.42 H new ATOM 0 HB2 SER A 33 -0.023 6.638 12.134 1.00 55.10 H new ATOM 0 HB3 SER A 33 1.520 6.383 11.343 1.00 55.10 H new ATOM 0 HG SER A 33 1.076 8.608 11.705 1.00 44.32 H new ATOM 489 N ASN A 34 1.555 5.286 8.492 1.00 21.25 N ATOM 490 CA ASN A 34 2.240 5.210 7.203 1.00 40.12 C ATOM 491 C ASN A 34 1.252 5.094 6.037 1.00 52.14 C ATOM 492 O ASN A 34 1.558 5.578 4.955 1.00 74.12 O ATOM 493 CB ASN A 34 3.192 3.998 7.111 1.00 24.13 C ATOM 494 CG ASN A 34 4.387 3.998 8.056 1.00 34.11 C ATOM 495 OD1 ASN A 34 4.593 3.039 8.793 1.00 53.11 O ATOM 496 ND2 ASN A 34 5.223 5.016 8.024 1.00 52.51 N ATOM 0 H ASN A 34 1.910 4.626 9.184 1.00 21.25 H new ATOM 0 HA ASN A 34 2.809 6.137 7.132 1.00 40.12 H new ATOM 0 HB2 ASN A 34 2.612 3.094 7.295 1.00 24.13 H new ATOM 0 HB3 ASN A 34 3.565 3.935 6.089 1.00 24.13 H new ATOM 0 HD21 ASN A 34 6.053 5.013 8.617 1.00 52.51 H new ATOM 0 HD22 ASN A 34 5.040 5.807 7.407 1.00 52.51 H new ATOM 503 N VAL A 35 0.104 4.436 6.211 1.00 11.34 N ATOM 504 CA VAL A 35 -0.728 3.943 5.119 1.00 73.11 C ATOM 505 C VAL A 35 -2.015 4.760 4.977 1.00 32.23 C ATOM 506 O VAL A 35 -2.713 5.063 5.951 1.00 62.21 O ATOM 507 CB VAL A 35 -0.984 2.432 5.305 1.00 14.22 C ATOM 508 CG1 VAL A 35 -1.691 1.806 4.091 1.00 11.33 C ATOM 509 CG2 VAL A 35 0.350 1.703 5.526 1.00 1.45 C ATOM 0 H VAL A 35 -0.278 4.229 7.134 1.00 11.34 H new ATOM 0 HA VAL A 35 -0.198 4.073 4.175 1.00 73.11 H new ATOM 0 HB VAL A 35 -1.635 2.322 6.172 1.00 14.22 H new ATOM 0 HG11 VAL A 35 -1.849 0.742 4.270 1.00 11.33 H new ATOM 0 HG12 VAL A 35 -2.653 2.295 3.938 1.00 11.33 H new ATOM 0 HG13 VAL A 35 -1.073 1.936 3.203 1.00 11.33 H new ATOM 0 HG21 VAL A 35 0.165 0.637 5.657 1.00 1.45 H new ATOM 0 HG22 VAL A 35 0.996 1.856 4.661 1.00 1.45 H new ATOM 0 HG23 VAL A 35 0.838 2.099 6.417 1.00 1.45 H new ATOM 519 N ARG A 36 -2.382 5.060 3.731 1.00 75.42 N ATOM 520 CA ARG A 36 -3.517 5.888 3.335 1.00 32.14 C ATOM 521 C ARG A 36 -4.335 5.129 2.289 1.00 20.53 C ATOM 522 O ARG A 36 -4.050 5.219 1.097 1.00 54.20 O ATOM 523 CB ARG A 36 -2.979 7.260 2.851 1.00 35.42 C ATOM 524 CG ARG A 36 -3.186 8.367 3.900 1.00 62.24 C ATOM 525 CD ARG A 36 -4.587 8.988 3.781 1.00 52.40 C ATOM 526 NE ARG A 36 -5.284 9.120 5.071 1.00 71.31 N ATOM 527 CZ ARG A 36 -5.196 10.119 5.957 1.00 74.53 C ATOM 528 NH1 ARG A 36 -4.274 11.067 5.828 1.00 71.30 N ATOM 529 NH2 ARG A 36 -6.048 10.162 6.973 1.00 2.25 N ATOM 0 H ARG A 36 -1.863 4.710 2.925 1.00 75.42 H new ATOM 0 HA ARG A 36 -4.193 6.093 4.165 1.00 32.14 H new ATOM 0 HB2 ARG A 36 -1.917 7.172 2.623 1.00 35.42 H new ATOM 0 HB3 ARG A 36 -3.482 7.540 1.925 1.00 35.42 H new ATOM 0 HG2 ARG A 36 -3.052 7.954 4.900 1.00 62.24 H new ATOM 0 HG3 ARG A 36 -2.430 9.141 3.770 1.00 62.24 H new ATOM 0 HD2 ARG A 36 -4.501 9.973 3.321 1.00 52.40 H new ATOM 0 HD3 ARG A 36 -5.191 8.375 3.112 1.00 52.40 H new ATOM 0 HE ARG A 36 -5.912 8.356 5.320 1.00 71.31 H new ATOM 0 HH11 ARG A 36 -3.621 11.040 5.045 1.00 71.30 H new ATOM 0 HH12 ARG A 36 -4.220 11.822 6.512 1.00 71.30 H new ATOM 0 HH21 ARG A 36 -6.760 9.439 7.072 1.00 2.25 H new ATOM 0 HH22 ARG A 36 -5.991 10.918 7.655 1.00 2.25 H new ATOM 543 N VAL A 37 -5.321 4.344 2.728 1.00 52.44 N ATOM 544 CA VAL A 37 -6.432 3.868 1.911 1.00 72.33 C ATOM 545 C VAL A 37 -7.498 4.957 2.000 1.00 4.14 C ATOM 546 O VAL A 37 -8.201 5.025 3.013 1.00 40.03 O ATOM 547 CB VAL A 37 -6.964 2.509 2.432 1.00 63.32 C ATOM 548 CG1 VAL A 37 -8.066 1.959 1.515 1.00 31.52 C ATOM 549 CG2 VAL A 37 -5.861 1.445 2.564 1.00 13.02 C ATOM 0 H VAL A 37 -5.367 4.014 3.692 1.00 52.44 H new ATOM 0 HA VAL A 37 -6.129 3.692 0.879 1.00 72.33 H new ATOM 0 HB VAL A 37 -7.365 2.712 3.425 1.00 63.32 H new ATOM 0 HG11 VAL A 37 -8.421 1.005 1.904 1.00 31.52 H new ATOM 0 HG12 VAL A 37 -8.895 2.666 1.477 1.00 31.52 H new ATOM 0 HG13 VAL A 37 -7.666 1.815 0.511 1.00 31.52 H new ATOM 0 HG21 VAL A 37 -6.294 0.515 2.933 1.00 13.02 H new ATOM 0 HG22 VAL A 37 -5.405 1.271 1.589 1.00 13.02 H new ATOM 0 HG23 VAL A 37 -5.101 1.794 3.263 1.00 13.02 H new ATOM 559 N ILE A 38 -7.578 5.854 1.017 1.00 34.24 N ATOM 560 CA ILE A 38 -8.621 6.875 1.008 1.00 3.33 C ATOM 561 C ILE A 38 -9.908 6.202 0.525 1.00 20.33 C ATOM 562 O ILE A 38 -9.886 5.394 -0.412 1.00 33.33 O ATOM 563 CB ILE A 38 -8.238 8.084 0.123 1.00 61.51 C ATOM 564 CG1 ILE A 38 -6.781 8.557 0.341 1.00 33.25 C ATOM 565 CG2 ILE A 38 -9.204 9.254 0.390 1.00 62.44 C ATOM 566 CD1 ILE A 38 -6.387 9.647 -0.655 1.00 33.23 C ATOM 0 H ILE A 38 -6.938 5.893 0.224 1.00 34.24 H new ATOM 0 HA ILE A 38 -8.759 7.281 2.010 1.00 3.33 H new ATOM 0 HB ILE A 38 -8.316 7.753 -0.913 1.00 61.51 H new ATOM 0 HG12 ILE A 38 -6.669 8.935 1.357 1.00 33.25 H new ATOM 0 HG13 ILE A 38 -6.104 7.709 0.240 1.00 33.25 H new ATOM 0 HG21 ILE A 38 -8.929 10.103 -0.236 1.00 62.44 H new ATOM 0 HG22 ILE A 38 -10.223 8.945 0.156 1.00 62.44 H new ATOM 0 HG23 ILE A 38 -9.144 9.543 1.439 1.00 62.44 H new ATOM 0 HD11 ILE A 38 -5.357 9.954 -0.471 1.00 33.23 H new ATOM 0 HD12 ILE A 38 -6.474 9.261 -1.671 1.00 33.23 H new ATOM 0 HD13 ILE A 38 -7.048 10.505 -0.535 1.00 33.23 H new ATOM 578 N LYS A 39 -11.039 6.516 1.157 1.00 13.03 N ATOM 579 CA LYS A 39 -12.341 6.068 0.718 1.00 24.53 C ATOM 580 C LYS A 39 -12.908 7.012 -0.344 1.00 74.23 C ATOM 581 O LYS A 39 -12.490 8.171 -0.447 1.00 61.24 O ATOM 582 CB LYS A 39 -13.245 5.982 1.950 1.00 34.44 C ATOM 583 CG LYS A 39 -12.745 5.097 3.111 1.00 40.14 C ATOM 584 CD LYS A 39 -12.376 3.677 2.665 1.00 62.24 C ATOM 585 CE LYS A 39 -12.063 2.740 3.839 1.00 35.12 C ATOM 586 NZ LYS A 39 -13.278 2.190 4.483 1.00 75.23 N ATOM 0 H LYS A 39 -11.067 7.095 1.996 1.00 13.03 H new ATOM 0 HA LYS A 39 -12.273 5.086 0.250 1.00 24.53 H new ATOM 0 HB2 LYS A 39 -13.398 6.991 2.332 1.00 34.44 H new ATOM 0 HB3 LYS A 39 -14.219 5.610 1.633 1.00 34.44 H new ATOM 0 HG2 LYS A 39 -11.874 5.566 3.569 1.00 40.14 H new ATOM 0 HG3 LYS A 39 -13.518 5.042 3.878 1.00 40.14 H new ATOM 0 HD2 LYS A 39 -13.199 3.260 2.084 1.00 62.24 H new ATOM 0 HD3 LYS A 39 -11.510 3.723 2.004 1.00 62.24 H new ATOM 0 HE2 LYS A 39 -11.443 1.917 3.484 1.00 35.12 H new ATOM 0 HE3 LYS A 39 -11.478 3.282 4.583 1.00 35.12 H new ATOM 0 HZ1 LYS A 39 -13.003 1.565 5.268 1.00 75.23 H new ATOM 0 HZ2 LYS A 39 -13.860 2.970 4.849 1.00 75.23 H new ATOM 0 HZ3 LYS A 39 -13.826 1.648 3.785 1.00 75.23 H new ATOM 600 N ASP A 40 -13.853 6.534 -1.150 1.00 11.21 N ATOM 601 CA ASP A 40 -14.614 7.341 -2.109 1.00 33.44 C ATOM 602 C ASP A 40 -15.496 8.428 -1.431 1.00 11.43 C ATOM 603 O ASP A 40 -15.451 8.601 -0.205 1.00 1.12 O ATOM 604 CB ASP A 40 -15.433 6.367 -2.963 1.00 11.01 C ATOM 605 CG ASP A 40 -15.790 7.001 -4.298 1.00 15.41 C ATOM 606 OD1 ASP A 40 -14.893 7.108 -5.165 1.00 54.34 O ATOM 607 OD2 ASP A 40 -16.916 7.532 -4.415 1.00 61.15 O ATOM 0 H ASP A 40 -14.120 5.550 -1.157 1.00 11.21 H new ATOM 0 HA ASP A 40 -13.929 7.913 -2.735 1.00 33.44 H new ATOM 0 HB2 ASP A 40 -14.864 5.452 -3.129 1.00 11.01 H new ATOM 0 HB3 ASP A 40 -16.343 6.085 -2.433 1.00 11.01 H new ATOM 612 N LYS A 41 -16.325 9.166 -2.192 1.00 21.32 N ATOM 613 CA LYS A 41 -17.382 10.072 -1.690 1.00 71.42 C ATOM 614 C LYS A 41 -18.787 9.543 -1.941 1.00 64.25 C ATOM 615 O LYS A 41 -19.685 9.857 -1.159 1.00 75.55 O ATOM 616 CB LYS A 41 -17.306 11.434 -2.391 1.00 4.01 C ATOM 617 CG LYS A 41 -16.230 12.370 -1.850 1.00 23.42 C ATOM 618 CD LYS A 41 -16.645 13.087 -0.562 1.00 41.02 C ATOM 619 CE LYS A 41 -15.794 14.345 -0.382 1.00 20.14 C ATOM 620 NZ LYS A 41 -14.378 14.058 -0.085 1.00 22.44 N ATOM 0 H LYS A 41 -16.278 9.149 -3.211 1.00 21.32 H new ATOM 0 HA LYS A 41 -17.204 10.152 -0.618 1.00 71.42 H new ATOM 0 HB2 LYS A 41 -17.126 11.271 -3.454 1.00 4.01 H new ATOM 0 HB3 LYS A 41 -18.274 11.927 -2.304 1.00 4.01 H new ATOM 0 HG2 LYS A 41 -15.321 11.798 -1.663 1.00 23.42 H new ATOM 0 HG3 LYS A 41 -15.989 13.113 -2.610 1.00 23.42 H new ATOM 0 HD2 LYS A 41 -17.701 13.353 -0.605 1.00 41.02 H new ATOM 0 HD3 LYS A 41 -16.518 12.424 0.293 1.00 41.02 H new ATOM 0 HE2 LYS A 41 -15.852 14.947 -1.289 1.00 20.14 H new ATOM 0 HE3 LYS A 41 -16.212 14.945 0.426 1.00 20.14 H new ATOM 0 HZ1 LYS A 41 -13.858 14.952 0.025 1.00 22.44 H new ATOM 0 HZ2 LYS A 41 -14.312 13.509 0.796 1.00 22.44 H new ATOM 0 HZ3 LYS A 41 -13.964 13.511 -0.866 1.00 22.44 H new ATOM 634 N GLN A 42 -18.995 8.771 -3.001 1.00 11.13 N ATOM 635 CA GLN A 42 -20.285 8.200 -3.327 1.00 24.11 C ATOM 636 C GLN A 42 -20.315 6.744 -2.903 1.00 44.13 C ATOM 637 O GLN A 42 -21.274 6.327 -2.257 1.00 35.40 O ATOM 638 CB GLN A 42 -20.592 8.427 -4.811 1.00 44.45 C ATOM 639 CG GLN A 42 -21.444 9.679 -5.102 1.00 61.51 C ATOM 640 CD GLN A 42 -21.161 10.890 -4.205 1.00 14.00 C ATOM 641 OE1 GLN A 42 -20.313 11.735 -4.484 1.00 15.32 O ATOM 642 NE2 GLN A 42 -21.884 11.027 -3.100 1.00 15.11 N ATOM 0 H GLN A 42 -18.260 8.524 -3.663 1.00 11.13 H new ATOM 0 HA GLN A 42 -21.083 8.697 -2.775 1.00 24.11 H new ATOM 0 HB2 GLN A 42 -19.651 8.508 -5.356 1.00 44.45 H new ATOM 0 HB3 GLN A 42 -21.111 7.551 -5.200 1.00 44.45 H new ATOM 0 HG2 GLN A 42 -21.286 9.972 -6.140 1.00 61.51 H new ATOM 0 HG3 GLN A 42 -22.496 9.413 -5.003 1.00 61.51 H new ATOM 0 HE21 GLN A 42 -22.589 10.330 -2.862 1.00 15.11 H new ATOM 0 HE22 GLN A 42 -21.734 11.830 -2.489 1.00 15.11 H new ATOM 651 N THR A 43 -19.282 5.962 -3.211 1.00 73.23 N ATOM 652 CA THR A 43 -19.433 4.521 -3.085 1.00 13.13 C ATOM 653 C THR A 43 -19.224 4.051 -1.636 1.00 14.23 C ATOM 654 O THR A 43 -19.605 2.929 -1.298 1.00 35.32 O ATOM 655 CB THR A 43 -18.542 3.796 -4.105 1.00 51.15 C ATOM 656 OG1 THR A 43 -17.176 4.010 -3.834 1.00 23.40 O ATOM 657 CG2 THR A 43 -18.808 4.257 -5.544 1.00 72.55 C ATOM 0 H THR A 43 -18.371 6.286 -3.535 1.00 73.23 H new ATOM 0 HA THR A 43 -20.462 4.253 -3.326 1.00 13.13 H new ATOM 0 HB THR A 43 -18.789 2.739 -4.012 1.00 51.15 H new ATOM 0 HG1 THR A 43 -16.633 3.536 -4.498 1.00 23.40 H new ATOM 0 HG21 THR A 43 -18.153 3.715 -6.227 1.00 72.55 H new ATOM 0 HG22 THR A 43 -19.848 4.058 -5.804 1.00 72.55 H new ATOM 0 HG23 THR A 43 -18.612 5.326 -5.626 1.00 72.55 H new ATOM 665 N GLN A 44 -18.632 4.880 -0.767 1.00 4.04 N ATOM 666 CA GLN A 44 -18.209 4.588 0.607 1.00 63.21 C ATOM 667 C GLN A 44 -17.084 3.551 0.709 1.00 54.42 C ATOM 668 O GLN A 44 -16.495 3.392 1.782 1.00 71.34 O ATOM 669 CB GLN A 44 -19.399 4.308 1.533 1.00 54.32 C ATOM 670 CG GLN A 44 -20.498 5.387 1.533 1.00 51.25 C ATOM 671 CD GLN A 44 -20.056 6.751 2.072 1.00 3.01 C ATOM 672 OE1 GLN A 44 -19.483 6.860 3.153 1.00 22.32 O ATOM 673 NE2 GLN A 44 -20.306 7.835 1.354 1.00 4.13 N ATOM 0 H GLN A 44 -18.421 5.844 -1.026 1.00 4.04 H new ATOM 0 HA GLN A 44 -17.750 5.505 0.977 1.00 63.21 H new ATOM 0 HB2 GLN A 44 -19.846 3.356 1.246 1.00 54.32 H new ATOM 0 HB3 GLN A 44 -19.027 4.191 2.551 1.00 54.32 H new ATOM 0 HG2 GLN A 44 -20.862 5.515 0.514 1.00 51.25 H new ATOM 0 HG3 GLN A 44 -21.338 5.031 2.129 1.00 51.25 H new ATOM 0 HE21 GLN A 44 -20.781 7.753 0.455 1.00 4.13 H new ATOM 0 HE22 GLN A 44 -20.023 8.752 1.700 1.00 4.13 H new ATOM 682 N LEU A 45 -16.809 2.841 -0.382 1.00 75.22 N ATOM 683 CA LEU A 45 -15.705 1.920 -0.588 1.00 63.22 C ATOM 684 C LEU A 45 -14.373 2.668 -0.563 1.00 75.42 C ATOM 685 O LEU A 45 -14.318 3.889 -0.439 1.00 72.45 O ATOM 686 CB LEU A 45 -15.850 1.276 -1.975 1.00 53.35 C ATOM 687 CG LEU A 45 -17.198 0.608 -2.264 1.00 11.24 C ATOM 688 CD1 LEU A 45 -17.251 0.299 -3.755 1.00 72.12 C ATOM 689 CD2 LEU A 45 -17.441 -0.598 -1.355 1.00 21.12 C ATOM 0 H LEU A 45 -17.403 2.903 -1.209 1.00 75.22 H new ATOM 0 HA LEU A 45 -15.723 1.171 0.204 1.00 63.22 H new ATOM 0 HB2 LEU A 45 -15.677 2.043 -2.730 1.00 53.35 H new ATOM 0 HB3 LEU A 45 -15.064 0.530 -2.092 1.00 53.35 H new ATOM 0 HG LEU A 45 -18.025 1.277 -2.028 1.00 11.24 H new ATOM 0 HD11 LEU A 45 -18.201 -0.179 -3.994 1.00 72.12 H new ATOM 0 HD12 LEU A 45 -17.158 1.225 -4.322 1.00 72.12 H new ATOM 0 HD13 LEU A 45 -16.432 -0.371 -4.017 1.00 72.12 H new ATOM 0 HD21 LEU A 45 -18.407 -1.043 -1.592 1.00 21.12 H new ATOM 0 HD22 LEU A 45 -16.654 -1.336 -1.511 1.00 21.12 H new ATOM 0 HD23 LEU A 45 -17.435 -0.276 -0.314 1.00 21.12 H new ATOM 701 N ASN A 46 -13.288 1.932 -0.760 1.00 61.54 N ATOM 702 CA ASN A 46 -11.959 2.467 -1.014 1.00 13.42 C ATOM 703 C ASN A 46 -11.912 3.105 -2.398 1.00 12.14 C ATOM 704 O ASN A 46 -12.754 2.832 -3.255 1.00 12.05 O ATOM 705 CB ASN A 46 -10.891 1.370 -0.960 1.00 35.22 C ATOM 706 CG ASN A 46 -10.957 0.516 0.281 1.00 73.32 C ATOM 707 OD1 ASN A 46 -11.192 1.010 1.376 1.00 42.34 O ATOM 708 ND2 ASN A 46 -10.775 -0.777 0.153 1.00 55.22 N ATOM 0 H ASN A 46 -13.310 0.912 -0.747 1.00 61.54 H new ATOM 0 HA ASN A 46 -11.753 3.206 -0.239 1.00 13.42 H new ATOM 0 HB2 ASN A 46 -10.996 0.730 -1.836 1.00 35.22 H new ATOM 0 HB3 ASN A 46 -9.906 1.832 -1.020 1.00 35.22 H new ATOM 0 HD21 ASN A 46 -10.829 -1.383 0.972 1.00 55.22 H new ATOM 0 HD22 ASN A 46 -10.580 -1.176 -0.765 1.00 55.22 H new ATOM 715 N ARG A 47 -10.863 3.874 -2.679 1.00 60.34 N ATOM 716 CA ARG A 47 -10.548 4.291 -4.044 1.00 12.35 C ATOM 717 C ARG A 47 -9.965 3.162 -4.901 1.00 15.05 C ATOM 718 O ARG A 47 -9.896 3.330 -6.117 1.00 55.03 O ATOM 719 CB ARG A 47 -9.678 5.557 -4.022 1.00 3.14 C ATOM 720 CG ARG A 47 -10.527 6.775 -3.612 1.00 60.34 C ATOM 721 CD ARG A 47 -10.418 7.932 -4.605 1.00 55.31 C ATOM 722 NE ARG A 47 -10.939 7.609 -5.950 1.00 3.24 N ATOM 723 CZ ARG A 47 -10.980 8.455 -6.991 1.00 21.41 C ATOM 724 NH1 ARG A 47 -10.385 9.643 -6.940 1.00 20.44 N ATOM 725 NH2 ARG A 47 -11.636 8.124 -8.094 1.00 73.51 N ATOM 0 H ARG A 47 -10.213 4.223 -1.975 1.00 60.34 H new ATOM 0 HA ARG A 47 -11.484 4.544 -4.542 1.00 12.35 H new ATOM 0 HB2 ARG A 47 -8.852 5.428 -3.323 1.00 3.14 H new ATOM 0 HB3 ARG A 47 -9.240 5.724 -5.006 1.00 3.14 H new ATOM 0 HG2 ARG A 47 -11.571 6.473 -3.526 1.00 60.34 H new ATOM 0 HG3 ARG A 47 -10.212 7.117 -2.626 1.00 60.34 H new ATOM 0 HD2 ARG A 47 -10.962 8.791 -4.211 1.00 55.31 H new ATOM 0 HD3 ARG A 47 -9.373 8.229 -4.691 1.00 55.31 H new ATOM 0 HE ARG A 47 -11.297 6.666 -6.099 1.00 3.24 H new ATOM 0 HH11 ARG A 47 -9.885 9.927 -6.098 1.00 20.44 H new ATOM 0 HH12 ARG A 47 -10.429 10.270 -7.743 1.00 20.44 H new ATOM 0 HH21 ARG A 47 -12.112 7.224 -8.154 1.00 73.51 H new ATOM 0 HH22 ARG A 47 -11.665 8.770 -8.883 1.00 73.51 H new ATOM 739 N GLY A 48 -9.529 2.041 -4.320 1.00 20.35 N ATOM 740 CA GLY A 48 -9.003 0.890 -5.054 1.00 15.12 C ATOM 741 C GLY A 48 -7.482 0.917 -5.200 1.00 2.42 C ATOM 742 O GLY A 48 -6.884 -0.118 -5.491 1.00 15.31 O ATOM 0 H GLY A 48 -9.532 1.907 -3.309 1.00 20.35 H new ATOM 0 HA2 GLY A 48 -9.297 -0.026 -4.541 1.00 15.12 H new ATOM 0 HA3 GLY A 48 -9.457 0.860 -6.045 1.00 15.12 H new ATOM 746 N PHE A 49 -6.839 2.061 -4.959 1.00 12.25 N ATOM 747 CA PHE A 49 -5.398 2.239 -4.803 1.00 43.41 C ATOM 748 C PHE A 49 -5.160 2.890 -3.439 1.00 64.51 C ATOM 749 O PHE A 49 -6.092 3.448 -2.849 1.00 12.15 O ATOM 750 CB PHE A 49 -4.816 3.068 -5.960 1.00 15.15 C ATOM 751 CG PHE A 49 -5.489 4.410 -6.150 1.00 54.04 C ATOM 752 CD1 PHE A 49 -4.959 5.566 -5.549 1.00 33.41 C ATOM 753 CD2 PHE A 49 -6.682 4.490 -6.891 1.00 44.34 C ATOM 754 CE1 PHE A 49 -5.634 6.789 -5.683 1.00 3.43 C ATOM 755 CE2 PHE A 49 -7.363 5.711 -7.009 1.00 43.30 C ATOM 756 CZ PHE A 49 -6.837 6.863 -6.404 1.00 71.13 C ATOM 0 H PHE A 49 -7.344 2.942 -4.862 1.00 12.25 H new ATOM 0 HA PHE A 49 -4.882 1.279 -4.840 1.00 43.41 H new ATOM 0 HB2 PHE A 49 -3.753 3.228 -5.781 1.00 15.15 H new ATOM 0 HB3 PHE A 49 -4.901 2.495 -6.884 1.00 15.15 H new ATOM 0 HD1 PHE A 49 -4.038 5.513 -4.988 1.00 33.41 H new ATOM 0 HD2 PHE A 49 -7.076 3.607 -7.372 1.00 44.34 H new ATOM 0 HE1 PHE A 49 -5.226 7.680 -5.229 1.00 3.43 H new ATOM 0 HE2 PHE A 49 -8.288 5.764 -7.563 1.00 43.30 H new ATOM 0 HZ PHE A 49 -7.357 7.805 -6.493 1.00 71.13 H new ATOM 766 N ALA A 50 -3.948 2.787 -2.900 1.00 33.41 N ATOM 767 CA ALA A 50 -3.592 3.318 -1.587 1.00 2.11 C ATOM 768 C ALA A 50 -2.146 3.799 -1.610 1.00 52.22 C ATOM 769 O ALA A 50 -1.443 3.592 -2.595 1.00 40.10 O ATOM 770 CB ALA A 50 -3.795 2.241 -0.512 1.00 14.35 C ATOM 0 H ALA A 50 -3.172 2.324 -3.372 1.00 33.41 H new ATOM 0 HA ALA A 50 -4.237 4.163 -1.346 1.00 2.11 H new ATOM 0 HB1 ALA A 50 -3.527 2.646 0.464 1.00 14.35 H new ATOM 0 HB2 ALA A 50 -4.840 1.930 -0.501 1.00 14.35 H new ATOM 0 HB3 ALA A 50 -3.163 1.381 -0.734 1.00 14.35 H new ATOM 776 N PHE A 51 -1.690 4.400 -0.516 1.00 61.21 N ATOM 777 CA PHE A 51 -0.409 5.058 -0.401 1.00 72.12 C ATOM 778 C PHE A 51 0.267 4.588 0.881 1.00 53.30 C ATOM 779 O PHE A 51 -0.408 4.256 1.857 1.00 74.33 O ATOM 780 CB PHE A 51 -0.659 6.571 -0.341 1.00 11.34 C ATOM 781 CG PHE A 51 -1.402 7.152 -1.524 1.00 2.23 C ATOM 782 CD1 PHE A 51 -2.776 7.440 -1.441 1.00 44.40 C ATOM 783 CD2 PHE A 51 -0.706 7.418 -2.712 1.00 32.42 C ATOM 784 CE1 PHE A 51 -3.440 8.007 -2.539 1.00 72.54 C ATOM 785 CE2 PHE A 51 -1.371 7.950 -3.825 1.00 54.11 C ATOM 786 CZ PHE A 51 -2.738 8.261 -3.730 1.00 42.20 C ATOM 0 H PHE A 51 -2.232 4.439 0.347 1.00 61.21 H new ATOM 0 HA PHE A 51 0.233 4.823 -1.250 1.00 72.12 H new ATOM 0 HB2 PHE A 51 -1.222 6.794 0.565 1.00 11.34 H new ATOM 0 HB3 PHE A 51 0.302 7.078 -0.252 1.00 11.34 H new ATOM 0 HD1 PHE A 51 -3.319 7.225 -0.533 1.00 44.40 H new ATOM 0 HD2 PHE A 51 0.352 7.211 -2.770 1.00 32.42 H new ATOM 0 HE1 PHE A 51 -4.490 8.248 -2.469 1.00 72.54 H new ATOM 0 HE2 PHE A 51 -0.837 8.120 -4.748 1.00 54.11 H new ATOM 0 HZ PHE A 51 -3.251 8.697 -4.575 1.00 42.20 H new ATOM 796 N ILE A 52 1.590 4.657 0.898 1.00 21.21 N ATOM 797 CA ILE A 52 2.491 4.468 2.033 1.00 41.23 C ATOM 798 C ILE A 52 3.407 5.695 2.106 1.00 35.33 C ATOM 799 O ILE A 52 3.840 6.203 1.071 1.00 43.33 O ATOM 800 CB ILE A 52 3.307 3.161 1.893 1.00 42.10 C ATOM 801 CG1 ILE A 52 2.420 1.909 1.725 1.00 54.14 C ATOM 802 CG2 ILE A 52 4.285 2.968 3.064 1.00 4.15 C ATOM 803 CD1 ILE A 52 3.193 0.649 1.299 1.00 60.33 C ATOM 0 H ILE A 52 2.109 4.865 0.045 1.00 21.21 H new ATOM 0 HA ILE A 52 1.919 4.372 2.956 1.00 41.23 H new ATOM 0 HB ILE A 52 3.883 3.275 0.975 1.00 42.10 H new ATOM 0 HG12 ILE A 52 1.909 1.709 2.667 1.00 54.14 H new ATOM 0 HG13 ILE A 52 1.650 2.119 0.983 1.00 54.14 H new ATOM 0 HG21 ILE A 52 4.838 2.039 2.927 1.00 4.15 H new ATOM 0 HG22 ILE A 52 4.983 3.804 3.097 1.00 4.15 H new ATOM 0 HG23 ILE A 52 3.728 2.924 4.000 1.00 4.15 H new ATOM 0 HD11 ILE A 52 2.501 -0.187 1.202 1.00 60.33 H new ATOM 0 HD12 ILE A 52 3.682 0.828 0.341 1.00 60.33 H new ATOM 0 HD13 ILE A 52 3.945 0.412 2.051 1.00 60.33 H new ATOM 815 N GLN A 53 3.687 6.165 3.322 1.00 15.51 N ATOM 816 CA GLN A 53 4.528 7.295 3.661 1.00 2.44 C ATOM 817 C GLN A 53 5.557 6.820 4.695 1.00 75.13 C ATOM 818 O GLN A 53 5.274 6.836 5.897 1.00 1.12 O ATOM 819 CB GLN A 53 3.669 8.451 4.219 1.00 3.22 C ATOM 820 CG GLN A 53 2.878 9.272 3.198 1.00 55.33 C ATOM 821 CD GLN A 53 1.512 8.677 2.934 1.00 40.33 C ATOM 822 OE1 GLN A 53 0.544 8.936 3.643 1.00 13.34 O ATOM 823 NE2 GLN A 53 1.389 7.886 1.895 1.00 4.43 N ATOM 0 H GLN A 53 3.297 5.725 4.155 1.00 15.51 H new ATOM 0 HA GLN A 53 5.042 7.671 2.777 1.00 2.44 H new ATOM 0 HB2 GLN A 53 2.965 8.035 4.940 1.00 3.22 H new ATOM 0 HB3 GLN A 53 4.324 9.128 4.767 1.00 3.22 H new ATOM 0 HG2 GLN A 53 2.765 10.293 3.562 1.00 55.33 H new ATOM 0 HG3 GLN A 53 3.437 9.326 2.264 1.00 55.33 H new ATOM 0 HE21 GLN A 53 2.201 7.678 1.313 1.00 4.43 H new ATOM 0 HE22 GLN A 53 0.482 7.479 1.669 1.00 4.43 H new ATOM 832 N LEU A 54 6.714 6.344 4.228 1.00 32.25 N ATOM 833 CA LEU A 54 7.791 5.742 5.029 1.00 11.55 C ATOM 834 C LEU A 54 8.839 6.802 5.412 1.00 71.24 C ATOM 835 O LEU A 54 8.627 7.995 5.191 1.00 4.35 O ATOM 836 CB LEU A 54 8.388 4.542 4.257 1.00 63.30 C ATOM 837 CG LEU A 54 7.740 3.184 4.590 1.00 53.51 C ATOM 838 CD1 LEU A 54 8.197 2.129 3.576 1.00 1.55 C ATOM 839 CD2 LEU A 54 8.076 2.701 6.004 1.00 51.14 C ATOM 0 H LEU A 54 6.939 6.368 3.233 1.00 32.25 H new ATOM 0 HA LEU A 54 7.395 5.361 5.970 1.00 11.55 H new ATOM 0 HB2 LEU A 54 8.286 4.727 3.188 1.00 63.30 H new ATOM 0 HB3 LEU A 54 9.455 4.483 4.470 1.00 63.30 H new ATOM 0 HG LEU A 54 6.660 3.325 4.537 1.00 53.51 H new ATOM 0 HD11 LEU A 54 7.736 1.171 3.815 1.00 1.55 H new ATOM 0 HD12 LEU A 54 7.898 2.435 2.573 1.00 1.55 H new ATOM 0 HD13 LEU A 54 9.282 2.031 3.617 1.00 1.55 H new ATOM 0 HD21 LEU A 54 7.594 1.740 6.185 1.00 51.14 H new ATOM 0 HD22 LEU A 54 9.156 2.589 6.103 1.00 51.14 H new ATOM 0 HD23 LEU A 54 7.718 3.429 6.732 1.00 51.14 H new ATOM 851 N SER A 55 9.950 6.403 6.037 1.00 61.10 N ATOM 852 CA SER A 55 11.187 7.179 5.988 1.00 73.31 C ATOM 853 C SER A 55 11.729 7.073 4.562 1.00 4.34 C ATOM 854 O SER A 55 11.506 6.065 3.893 1.00 44.54 O ATOM 855 CB SER A 55 12.197 6.591 6.979 1.00 12.15 C ATOM 856 OG SER A 55 13.406 7.328 7.016 1.00 12.42 O ATOM 0 H SER A 55 10.016 5.544 6.584 1.00 61.10 H new ATOM 0 HA SER A 55 11.010 8.221 6.255 1.00 73.31 H new ATOM 0 HB2 SER A 55 11.756 6.571 7.975 1.00 12.15 H new ATOM 0 HB3 SER A 55 12.412 5.558 6.705 1.00 12.15 H new ATOM 0 HG SER A 55 14.019 6.919 7.662 1.00 12.42 H new ATOM 862 N THR A 56 12.506 8.055 4.119 1.00 71.01 N ATOM 863 CA THR A 56 13.058 8.109 2.774 1.00 75.02 C ATOM 864 C THR A 56 13.949 6.887 2.485 1.00 1.23 C ATOM 865 O THR A 56 13.799 6.241 1.448 1.00 21.21 O ATOM 866 CB THR A 56 13.775 9.461 2.646 1.00 4.24 C ATOM 867 OG1 THR A 56 12.899 10.507 3.050 1.00 13.34 O ATOM 868 CG2 THR A 56 14.299 9.748 1.241 1.00 14.53 C ATOM 0 H THR A 56 12.774 8.851 4.698 1.00 71.01 H new ATOM 0 HA THR A 56 12.281 8.051 2.012 1.00 75.02 H new ATOM 0 HB THR A 56 14.647 9.411 3.298 1.00 4.24 H new ATOM 0 HG1 THR A 56 11.998 10.329 2.709 1.00 13.34 H new ATOM 0 HG21 THR A 56 14.793 10.720 1.228 1.00 14.53 H new ATOM 0 HG22 THR A 56 15.012 8.975 0.953 1.00 14.53 H new ATOM 0 HG23 THR A 56 13.467 9.755 0.537 1.00 14.53 H new ATOM 876 N ILE A 57 14.847 6.521 3.409 1.00 53.30 N ATOM 877 CA ILE A 57 15.731 5.367 3.232 1.00 31.42 C ATOM 878 C ILE A 57 14.897 4.088 3.168 1.00 53.33 C ATOM 879 O ILE A 57 15.122 3.248 2.295 1.00 20.15 O ATOM 880 CB ILE A 57 16.804 5.293 4.343 1.00 21.13 C ATOM 881 CG1 ILE A 57 17.590 6.624 4.388 1.00 0.31 C ATOM 882 CG2 ILE A 57 17.749 4.103 4.085 1.00 22.05 C ATOM 883 CD1 ILE A 57 18.701 6.687 5.436 1.00 31.15 C ATOM 0 H ILE A 57 14.979 7.013 4.292 1.00 53.30 H new ATOM 0 HA ILE A 57 16.269 5.481 2.291 1.00 31.42 H new ATOM 0 HB ILE A 57 16.322 5.139 5.309 1.00 21.13 H new ATOM 0 HG12 ILE A 57 18.028 6.803 3.406 1.00 0.31 H new ATOM 0 HG13 ILE A 57 16.888 7.436 4.576 1.00 0.31 H new ATOM 0 HG21 ILE A 57 18.501 4.059 4.872 1.00 22.05 H new ATOM 0 HG22 ILE A 57 17.174 3.177 4.079 1.00 22.05 H new ATOM 0 HG23 ILE A 57 18.240 4.231 3.120 1.00 22.05 H new ATOM 0 HD11 ILE A 57 19.192 7.659 5.388 1.00 31.15 H new ATOM 0 HD12 ILE A 57 18.273 6.545 6.429 1.00 31.15 H new ATOM 0 HD13 ILE A 57 19.431 5.902 5.240 1.00 31.15 H new ATOM 895 N GLU A 58 13.947 3.938 4.090 1.00 33.15 N ATOM 896 CA GLU A 58 13.127 2.742 4.198 1.00 32.21 C ATOM 897 C GLU A 58 12.285 2.562 2.942 1.00 44.53 C ATOM 898 O GLU A 58 12.220 1.465 2.399 1.00 44.11 O ATOM 899 CB GLU A 58 12.223 2.826 5.427 1.00 55.13 C ATOM 900 CG GLU A 58 13.031 2.888 6.723 1.00 64.30 C ATOM 901 CD GLU A 58 12.090 2.703 7.910 1.00 42.20 C ATOM 902 OE1 GLU A 58 11.425 3.690 8.302 1.00 14.33 O ATOM 903 OE2 GLU A 58 11.965 1.553 8.387 1.00 60.00 O ATOM 0 H GLU A 58 13.727 4.651 4.786 1.00 33.15 H new ATOM 0 HA GLU A 58 13.786 1.880 4.306 1.00 32.21 H new ATOM 0 HB2 GLU A 58 11.588 3.709 5.352 1.00 55.13 H new ATOM 0 HB3 GLU A 58 11.562 1.960 5.452 1.00 55.13 H new ATOM 0 HG2 GLU A 58 13.796 2.112 6.726 1.00 64.30 H new ATOM 0 HG3 GLU A 58 13.547 3.845 6.798 1.00 64.30 H new ATOM 910 N ALA A 59 11.672 3.648 2.466 1.00 60.43 N ATOM 911 CA ALA A 59 10.847 3.672 1.268 1.00 33.32 C ATOM 912 C ALA A 59 11.626 3.133 0.071 1.00 63.42 C ATOM 913 O ALA A 59 11.091 2.334 -0.694 1.00 11.51 O ATOM 914 CB ALA A 59 10.343 5.097 1.014 1.00 60.03 C ATOM 0 H ALA A 59 11.741 4.559 2.920 1.00 60.43 H new ATOM 0 HA ALA A 59 9.982 3.025 1.414 1.00 33.32 H new ATOM 0 HB1 ALA A 59 9.726 5.110 0.116 1.00 60.03 H new ATOM 0 HB2 ALA A 59 9.751 5.431 1.866 1.00 60.03 H new ATOM 0 HB3 ALA A 59 11.194 5.765 0.879 1.00 60.03 H new ATOM 920 N ALA A 60 12.887 3.543 -0.080 1.00 11.15 N ATOM 921 CA ALA A 60 13.769 2.997 -1.093 1.00 20.11 C ATOM 922 C ALA A 60 14.054 1.516 -0.823 1.00 43.34 C ATOM 923 O ALA A 60 13.719 0.674 -1.655 1.00 4.34 O ATOM 924 CB ALA A 60 15.055 3.828 -1.153 1.00 22.42 C ATOM 0 H ALA A 60 13.318 4.263 0.500 1.00 11.15 H new ATOM 0 HA ALA A 60 13.283 3.053 -2.067 1.00 20.11 H new ATOM 0 HB1 ALA A 60 15.718 3.418 -1.914 1.00 22.42 H new ATOM 0 HB2 ALA A 60 14.810 4.860 -1.403 1.00 22.42 H new ATOM 0 HB3 ALA A 60 15.553 3.798 -0.184 1.00 22.42 H new ATOM 930 N GLN A 61 14.684 1.194 0.314 1.00 73.10 N ATOM 931 CA GLN A 61 15.186 -0.145 0.629 1.00 60.44 C ATOM 932 C GLN A 61 14.092 -1.201 0.478 1.00 43.52 C ATOM 933 O GLN A 61 14.291 -2.203 -0.207 1.00 71.42 O ATOM 934 CB GLN A 61 15.706 -0.209 2.072 1.00 51.53 C ATOM 935 CG GLN A 61 17.065 0.459 2.316 1.00 41.50 C ATOM 936 CD GLN A 61 17.586 0.196 3.730 1.00 43.31 C ATOM 937 OE1 GLN A 61 18.791 0.073 3.951 1.00 62.24 O ATOM 938 NE2 GLN A 61 16.718 0.104 4.722 1.00 4.51 N ATOM 0 H GLN A 61 14.861 1.873 1.054 1.00 73.10 H new ATOM 0 HA GLN A 61 15.994 -0.349 -0.074 1.00 60.44 H new ATOM 0 HB2 GLN A 61 14.969 0.257 2.726 1.00 51.53 H new ATOM 0 HB3 GLN A 61 15.777 -1.256 2.368 1.00 51.53 H new ATOM 0 HG2 GLN A 61 17.787 0.088 1.589 1.00 41.50 H new ATOM 0 HG3 GLN A 61 16.975 1.534 2.157 1.00 41.50 H new ATOM 0 HE21 GLN A 61 15.720 0.206 4.538 1.00 4.51 H new ATOM 0 HE22 GLN A 61 17.046 -0.069 5.672 1.00 4.51 H new ATOM 947 N LEU A 62 12.955 -0.983 1.135 1.00 52.20 N ATOM 948 CA LEU A 62 11.827 -1.895 1.154 1.00 72.42 C ATOM 949 C LEU A 62 11.326 -2.126 -0.262 1.00 51.32 C ATOM 950 O LEU A 62 11.073 -3.268 -0.640 1.00 25.42 O ATOM 951 CB LEU A 62 10.746 -1.294 2.062 1.00 63.10 C ATOM 952 CG LEU A 62 9.427 -2.068 2.187 1.00 33.45 C ATOM 953 CD1 LEU A 62 8.424 -1.741 1.084 1.00 40.13 C ATOM 954 CD2 LEU A 62 9.593 -3.583 2.372 1.00 33.05 C ATOM 0 H LEU A 62 12.794 -0.139 1.684 1.00 52.20 H new ATOM 0 HA LEU A 62 12.115 -2.869 1.550 1.00 72.42 H new ATOM 0 HB2 LEU A 62 11.168 -1.181 3.061 1.00 63.10 H new ATOM 0 HB3 LEU A 62 10.517 -0.292 1.698 1.00 63.10 H new ATOM 0 HG LEU A 62 9.002 -1.701 3.122 1.00 33.45 H new ATOM 0 HD11 LEU A 62 7.515 -2.324 1.234 1.00 40.13 H new ATOM 0 HD12 LEU A 62 8.183 -0.678 1.115 1.00 40.13 H new ATOM 0 HD13 LEU A 62 8.856 -1.987 0.114 1.00 40.13 H new ATOM 0 HD21 LEU A 62 8.611 -4.050 2.451 1.00 33.05 H new ATOM 0 HD22 LEU A 62 10.124 -3.998 1.515 1.00 33.05 H new ATOM 0 HD23 LEU A 62 10.162 -3.778 3.281 1.00 33.05 H new ATOM 966 N LEU A 63 11.207 -1.065 -1.063 1.00 55.44 N ATOM 967 CA LEU A 63 10.715 -1.185 -2.427 1.00 13.25 C ATOM 968 C LEU A 63 11.612 -2.132 -3.226 1.00 30.05 C ATOM 969 O LEU A 63 11.103 -2.929 -4.008 1.00 24.32 O ATOM 970 CB LEU A 63 10.652 0.193 -3.102 1.00 20.15 C ATOM 971 CG LEU A 63 9.998 0.137 -4.497 1.00 42.32 C ATOM 972 CD1 LEU A 63 8.508 0.480 -4.413 1.00 75.04 C ATOM 973 CD2 LEU A 63 10.736 1.064 -5.466 1.00 74.44 C ATOM 0 H LEU A 63 11.447 -0.113 -0.785 1.00 55.44 H new ATOM 0 HA LEU A 63 9.706 -1.597 -2.399 1.00 13.25 H new ATOM 0 HB2 LEU A 63 10.090 0.879 -2.468 1.00 20.15 H new ATOM 0 HB3 LEU A 63 11.661 0.596 -3.193 1.00 20.15 H new ATOM 0 HG LEU A 63 10.076 -0.880 -4.881 1.00 42.32 H new ATOM 0 HD11 LEU A 63 8.067 0.434 -5.409 1.00 75.04 H new ATOM 0 HD12 LEU A 63 8.006 -0.235 -3.761 1.00 75.04 H new ATOM 0 HD13 LEU A 63 8.388 1.485 -4.009 1.00 75.04 H new ATOM 0 HD21 LEU A 63 10.264 1.015 -6.447 1.00 74.44 H new ATOM 0 HD22 LEU A 63 10.694 2.088 -5.094 1.00 74.44 H new ATOM 0 HD23 LEU A 63 11.777 0.751 -5.548 1.00 74.44 H new ATOM 985 N GLN A 64 12.935 -2.068 -3.034 1.00 73.21 N ATOM 986 CA GLN A 64 13.845 -2.954 -3.751 1.00 71.04 C ATOM 987 C GLN A 64 13.589 -4.417 -3.372 1.00 72.32 C ATOM 988 O GLN A 64 13.614 -5.286 -4.244 1.00 74.03 O ATOM 989 CB GLN A 64 15.313 -2.608 -3.448 1.00 33.15 C ATOM 990 CG GLN A 64 15.787 -1.165 -3.671 1.00 64.41 C ATOM 991 CD GLN A 64 15.574 -0.611 -5.076 1.00 12.25 C ATOM 992 OE1 GLN A 64 16.532 -0.308 -5.778 1.00 32.35 O ATOM 993 NE2 GLN A 64 14.332 -0.394 -5.484 1.00 12.41 N ATOM 0 H GLN A 64 13.391 -1.417 -2.394 1.00 73.21 H new ATOM 0 HA GLN A 64 13.659 -2.815 -4.816 1.00 71.04 H new ATOM 0 HB2 GLN A 64 15.505 -2.863 -2.406 1.00 33.15 H new ATOM 0 HB3 GLN A 64 15.940 -3.260 -4.056 1.00 33.15 H new ATOM 0 HG2 GLN A 64 15.270 -0.518 -2.962 1.00 64.41 H new ATOM 0 HG3 GLN A 64 16.850 -1.110 -3.435 1.00 64.41 H new ATOM 0 HE21 GLN A 64 13.547 -0.652 -4.887 1.00 12.41 H new ATOM 0 HE22 GLN A 64 14.162 0.031 -6.395 1.00 12.41 H new ATOM 1002 N ILE A 65 13.337 -4.708 -2.088 1.00 54.43 N ATOM 1003 CA ILE A 65 12.957 -6.048 -1.638 1.00 45.10 C ATOM 1004 C ILE A 65 11.667 -6.439 -2.364 1.00 22.41 C ATOM 1005 O ILE A 65 11.602 -7.507 -2.972 1.00 72.21 O ATOM 1006 CB ILE A 65 12.821 -6.131 -0.093 1.00 70.42 C ATOM 1007 CG1 ILE A 65 14.102 -5.668 0.639 1.00 22.31 C ATOM 1008 CG2 ILE A 65 12.476 -7.568 0.340 1.00 74.41 C ATOM 1009 CD1 ILE A 65 13.893 -5.473 2.147 1.00 41.41 C ATOM 0 H ILE A 65 13.392 -4.021 -1.336 1.00 54.43 H new ATOM 0 HA ILE A 65 13.744 -6.760 -1.888 1.00 45.10 H new ATOM 0 HB ILE A 65 12.014 -5.454 0.187 1.00 70.42 H new ATOM 0 HG12 ILE A 65 14.891 -6.403 0.479 1.00 22.31 H new ATOM 0 HG13 ILE A 65 14.446 -4.731 0.201 1.00 22.31 H new ATOM 0 HG21 ILE A 65 12.384 -7.609 1.425 1.00 74.41 H new ATOM 0 HG22 ILE A 65 11.532 -7.869 -0.115 1.00 74.41 H new ATOM 0 HG23 ILE A 65 13.267 -8.245 0.017 1.00 74.41 H new ATOM 0 HD11 ILE A 65 14.827 -5.148 2.605 1.00 41.41 H new ATOM 0 HD12 ILE A 65 13.125 -4.717 2.313 1.00 41.41 H new ATOM 0 HD13 ILE A 65 13.578 -6.415 2.595 1.00 41.41 H new ATOM 1021 N LEU A 66 10.651 -5.567 -2.351 1.00 21.11 N ATOM 1022 CA LEU A 66 9.375 -5.800 -3.018 1.00 71.20 C ATOM 1023 C LEU A 66 9.485 -5.999 -4.532 1.00 62.30 C ATOM 1024 O LEU A 66 8.540 -6.491 -5.147 1.00 53.54 O ATOM 1025 CB LEU A 66 8.354 -4.707 -2.700 1.00 33.02 C ATOM 1026 CG LEU A 66 7.886 -4.658 -1.235 1.00 43.11 C ATOM 1027 CD1 LEU A 66 6.696 -3.699 -1.159 1.00 4.51 C ATOM 1028 CD2 LEU A 66 7.483 -6.016 -0.646 1.00 1.42 C ATOM 0 H LEU A 66 10.698 -4.669 -1.869 1.00 21.11 H new ATOM 0 HA LEU A 66 9.021 -6.745 -2.607 1.00 71.20 H new ATOM 0 HB2 LEU A 66 8.786 -3.741 -2.960 1.00 33.02 H new ATOM 0 HB3 LEU A 66 7.482 -4.848 -3.339 1.00 33.02 H new ATOM 0 HG LEU A 66 8.734 -4.324 -0.638 1.00 43.11 H new ATOM 0 HD11 LEU A 66 6.340 -3.642 -0.130 1.00 4.51 H new ATOM 0 HD12 LEU A 66 7.005 -2.708 -1.491 1.00 4.51 H new ATOM 0 HD13 LEU A 66 5.894 -4.063 -1.801 1.00 4.51 H new ATOM 0 HD21 LEU A 66 7.167 -5.884 0.389 1.00 1.42 H new ATOM 0 HD22 LEU A 66 6.660 -6.434 -1.226 1.00 1.42 H new ATOM 0 HD23 LEU A 66 8.335 -6.695 -0.682 1.00 1.42 H new ATOM 1040 N GLN A 67 10.618 -5.659 -5.138 1.00 21.05 N ATOM 1041 CA GLN A 67 10.927 -5.854 -6.545 1.00 63.32 C ATOM 1042 C GLN A 67 11.961 -6.972 -6.732 1.00 45.10 C ATOM 1043 O GLN A 67 12.766 -6.949 -7.667 1.00 22.11 O ATOM 1044 CB GLN A 67 11.331 -4.510 -7.160 1.00 71.32 C ATOM 1045 CG GLN A 67 10.112 -3.575 -7.176 1.00 1.52 C ATOM 1046 CD GLN A 67 10.366 -2.207 -7.795 1.00 53.24 C ATOM 1047 OE1 GLN A 67 11.347 -1.958 -8.484 1.00 3.35 O ATOM 1048 NE2 GLN A 67 9.465 -1.276 -7.544 1.00 1.24 N ATOM 0 H GLN A 67 11.385 -5.216 -4.631 1.00 21.05 H new ATOM 0 HA GLN A 67 10.045 -6.198 -7.086 1.00 63.32 H new ATOM 0 HB2 GLN A 67 12.141 -4.062 -6.584 1.00 71.32 H new ATOM 0 HB3 GLN A 67 11.704 -4.658 -8.173 1.00 71.32 H new ATOM 0 HG2 GLN A 67 9.305 -4.062 -7.724 1.00 1.52 H new ATOM 0 HG3 GLN A 67 9.764 -3.436 -6.152 1.00 1.52 H new ATOM 0 HE21 GLN A 67 8.652 -1.495 -6.969 1.00 1.24 H new ATOM 0 HE22 GLN A 67 9.582 -0.337 -7.925 1.00 1.24 H new ATOM 1057 N ALA A 68 11.934 -7.968 -5.849 1.00 2.43 N ATOM 1058 CA ALA A 68 12.684 -9.213 -5.972 1.00 5.45 C ATOM 1059 C ALA A 68 12.044 -10.397 -5.242 1.00 62.14 C ATOM 1060 O ALA A 68 12.286 -11.547 -5.626 1.00 72.01 O ATOM 1061 CB ALA A 68 14.076 -9.003 -5.382 1.00 51.42 C ATOM 0 H ALA A 68 11.370 -7.928 -5.000 1.00 2.43 H new ATOM 0 HA ALA A 68 12.707 -9.457 -7.034 1.00 5.45 H new ATOM 0 HB1 ALA A 68 14.650 -9.926 -5.466 1.00 51.42 H new ATOM 0 HB2 ALA A 68 14.586 -8.208 -5.926 1.00 51.42 H new ATOM 0 HB3 ALA A 68 13.988 -8.725 -4.332 1.00 51.42 H new ATOM 1067 N LEU A 69 11.329 -10.135 -4.147 1.00 43.44 N ATOM 1068 CA LEU A 69 10.827 -11.114 -3.189 1.00 52.12 C ATOM 1069 C LEU A 69 9.634 -11.944 -3.686 1.00 73.30 C ATOM 1070 O LEU A 69 9.242 -11.858 -4.851 1.00 44.12 O ATOM 1071 CB LEU A 69 10.557 -10.439 -1.848 1.00 64.24 C ATOM 1072 CG LEU A 69 9.369 -9.465 -1.768 1.00 23.22 C ATOM 1073 CD1 LEU A 69 8.541 -9.135 -3.024 1.00 64.10 C ATOM 1074 CD2 LEU A 69 8.462 -9.882 -0.619 1.00 30.34 C ATOM 0 H LEU A 69 11.072 -9.181 -3.893 1.00 43.44 H new ATOM 0 HA LEU A 69 11.615 -11.855 -3.058 1.00 52.12 H new ATOM 0 HB2 LEU A 69 10.402 -11.220 -1.104 1.00 64.24 H new ATOM 0 HB3 LEU A 69 11.457 -9.896 -1.558 1.00 64.24 H new ATOM 0 HG LEU A 69 9.868 -8.508 -1.612 1.00 23.22 H new ATOM 0 HD11 LEU A 69 7.750 -8.432 -2.764 1.00 64.10 H new ATOM 0 HD12 LEU A 69 9.188 -8.690 -3.780 1.00 64.10 H new ATOM 0 HD13 LEU A 69 8.098 -10.049 -3.418 1.00 64.10 H new ATOM 0 HD21 LEU A 69 7.617 -9.196 -0.555 1.00 30.34 H new ATOM 0 HD22 LEU A 69 8.096 -10.894 -0.793 1.00 30.34 H new ATOM 0 HD23 LEU A 69 9.023 -9.855 0.315 1.00 30.34 H new ATOM 1086 N HIS A 70 9.042 -12.735 -2.783 1.00 11.43 N ATOM 1087 CA HIS A 70 7.806 -13.471 -3.032 1.00 32.34 C ATOM 1088 C HIS A 70 6.623 -12.513 -3.227 1.00 62.44 C ATOM 1089 O HIS A 70 6.520 -11.513 -2.522 1.00 3.33 O ATOM 1090 CB HIS A 70 7.484 -14.402 -1.852 1.00 54.52 C ATOM 1091 CG HIS A 70 8.228 -15.707 -1.878 1.00 25.01 C ATOM 1092 ND1 HIS A 70 7.684 -16.947 -1.625 1.00 23.04 N ATOM 1093 CD2 HIS A 70 9.556 -15.878 -2.153 1.00 2.15 C ATOM 1094 CE1 HIS A 70 8.668 -17.852 -1.736 1.00 63.10 C ATOM 1095 NE2 HIS A 70 9.833 -17.246 -2.034 1.00 4.53 N ATOM 0 H HIS A 70 9.417 -12.881 -1.846 1.00 11.43 H new ATOM 0 HA HIS A 70 7.956 -14.056 -3.940 1.00 32.34 H new ATOM 0 HB2 HIS A 70 7.714 -13.884 -0.921 1.00 54.52 H new ATOM 0 HB3 HIS A 70 6.413 -14.607 -1.847 1.00 54.52 H new ATOM 0 HD2 HIS A 70 10.261 -15.102 -2.414 1.00 2.15 H new ATOM 0 HE1 HIS A 70 8.543 -18.917 -1.605 1.00 63.10 H new ATOM 0 HE2 HIS A 70 10.741 -17.696 -2.150 1.00 4.53 H new ATOM 1103 N PRO A 71 5.663 -12.837 -4.098 1.00 10.14 N ATOM 1104 CA PRO A 71 4.512 -11.989 -4.352 1.00 62.12 C ATOM 1105 C PRO A 71 3.600 -11.860 -3.117 1.00 33.35 C ATOM 1106 O PRO A 71 3.682 -12.668 -2.182 1.00 34.23 O ATOM 1107 CB PRO A 71 3.802 -12.637 -5.536 1.00 73.32 C ATOM 1108 CG PRO A 71 4.195 -14.112 -5.438 1.00 43.34 C ATOM 1109 CD PRO A 71 5.612 -14.048 -4.881 1.00 4.41 C ATOM 0 HA PRO A 71 4.806 -10.963 -4.574 1.00 62.12 H new ATOM 0 HB2 PRO A 71 2.722 -12.506 -5.474 1.00 73.32 H new ATOM 0 HB3 PRO A 71 4.122 -12.200 -6.482 1.00 73.32 H new ATOM 0 HG2 PRO A 71 3.526 -14.666 -4.779 1.00 43.34 H new ATOM 0 HG3 PRO A 71 4.164 -14.604 -6.410 1.00 43.34 H new ATOM 0 HD2 PRO A 71 5.833 -14.922 -4.268 1.00 4.41 H new ATOM 0 HD3 PRO A 71 6.349 -14.028 -5.684 1.00 4.41 H new ATOM 1117 N PRO A 72 2.732 -10.835 -3.093 1.00 33.23 N ATOM 1118 CA PRO A 72 1.956 -10.495 -1.915 1.00 31.12 C ATOM 1119 C PRO A 72 0.813 -11.476 -1.640 1.00 11.11 C ATOM 1120 O PRO A 72 0.070 -11.874 -2.543 1.00 65.20 O ATOM 1121 CB PRO A 72 1.448 -9.074 -2.148 1.00 10.31 C ATOM 1122 CG PRO A 72 1.537 -8.839 -3.648 1.00 14.42 C ATOM 1123 CD PRO A 72 2.611 -9.809 -4.117 1.00 14.44 C ATOM 0 HA PRO A 72 2.576 -10.558 -1.021 1.00 31.12 H new ATOM 0 HB2 PRO A 72 0.422 -8.963 -1.796 1.00 10.31 H new ATOM 0 HB3 PRO A 72 2.052 -8.349 -1.603 1.00 10.31 H new ATOM 0 HG2 PRO A 72 0.583 -9.034 -4.138 1.00 14.42 H new ATOM 0 HG3 PRO A 72 1.807 -7.807 -3.874 1.00 14.42 H new ATOM 0 HD2 PRO A 72 2.340 -10.251 -5.076 1.00 14.44 H new ATOM 0 HD3 PRO A 72 3.561 -9.293 -4.261 1.00 14.44 H new ATOM 1131 N LEU A 73 0.616 -11.775 -0.357 1.00 4.22 N ATOM 1132 CA LEU A 73 -0.472 -12.551 0.227 1.00 63.34 C ATOM 1133 C LEU A 73 -1.784 -11.826 -0.075 1.00 73.54 C ATOM 1134 O LEU A 73 -1.964 -10.671 0.312 1.00 12.41 O ATOM 1135 CB LEU A 73 -0.164 -12.739 1.726 1.00 64.34 C ATOM 1136 CG LEU A 73 -0.988 -13.851 2.403 1.00 2.21 C ATOM 1137 CD1 LEU A 73 -0.270 -14.389 3.645 1.00 52.03 C ATOM 1138 CD2 LEU A 73 -2.356 -13.338 2.831 1.00 34.25 C ATOM 0 H LEU A 73 1.268 -11.453 0.358 1.00 4.22 H new ATOM 0 HA LEU A 73 -0.571 -13.551 -0.196 1.00 63.34 H new ATOM 0 HB2 LEU A 73 0.896 -12.965 1.843 1.00 64.34 H new ATOM 0 HB3 LEU A 73 -0.348 -11.798 2.245 1.00 64.34 H new ATOM 0 HG LEU A 73 -1.106 -14.648 1.669 1.00 2.21 H new ATOM 0 HD11 LEU A 73 -0.873 -15.173 4.103 1.00 52.03 H new ATOM 0 HD12 LEU A 73 0.698 -14.798 3.357 1.00 52.03 H new ATOM 0 HD13 LEU A 73 -0.123 -13.579 4.360 1.00 52.03 H new ATOM 0 HD21 LEU A 73 -2.915 -14.145 3.306 1.00 34.25 H new ATOM 0 HD22 LEU A 73 -2.232 -12.518 3.538 1.00 34.25 H new ATOM 0 HD23 LEU A 73 -2.902 -12.984 1.956 1.00 34.25 H new ATOM 1150 N THR A 74 -2.658 -12.431 -0.880 1.00 13.05 N ATOM 1151 CA THR A 74 -3.995 -11.895 -1.160 1.00 43.31 C ATOM 1152 C THR A 74 -4.919 -12.242 0.014 1.00 42.11 C ATOM 1153 O THR A 74 -4.818 -13.320 0.590 1.00 64.30 O ATOM 1154 CB THR A 74 -4.550 -12.385 -2.515 1.00 22.53 C ATOM 1155 OG1 THR A 74 -5.955 -12.283 -2.532 1.00 31.44 O ATOM 1156 CG2 THR A 74 -4.169 -13.805 -2.914 1.00 30.44 C ATOM 0 H THR A 74 -2.460 -13.310 -1.359 1.00 13.05 H new ATOM 0 HA THR A 74 -3.934 -10.811 -1.254 1.00 43.31 H new ATOM 0 HB THR A 74 -4.080 -11.728 -3.247 1.00 22.53 H new ATOM 0 HG1 THR A 74 -6.335 -13.068 -2.979 1.00 31.44 H new ATOM 0 HG21 THR A 74 -4.613 -14.043 -3.881 1.00 30.44 H new ATOM 0 HG22 THR A 74 -3.084 -13.885 -2.983 1.00 30.44 H new ATOM 0 HG23 THR A 74 -4.537 -14.505 -2.164 1.00 30.44 H new ATOM 1164 N ILE A 75 -5.860 -11.346 0.330 1.00 61.12 N ATOM 1165 CA ILE A 75 -6.705 -11.430 1.519 1.00 12.23 C ATOM 1166 C ILE A 75 -8.191 -11.208 1.161 1.00 2.25 C ATOM 1167 O ILE A 75 -8.990 -10.850 2.027 1.00 4.42 O ATOM 1168 CB ILE A 75 -6.193 -10.467 2.632 1.00 63.13 C ATOM 1169 CG1 ILE A 75 -4.684 -10.135 2.642 1.00 61.12 C ATOM 1170 CG2 ILE A 75 -6.558 -11.040 4.006 1.00 14.15 C ATOM 1171 CD1 ILE A 75 -4.300 -8.972 1.724 1.00 5.43 C ATOM 0 H ILE A 75 -6.057 -10.528 -0.246 1.00 61.12 H new ATOM 0 HA ILE A 75 -6.637 -12.439 1.927 1.00 12.23 H new ATOM 0 HB ILE A 75 -6.690 -9.524 2.403 1.00 63.13 H new ATOM 0 HG12 ILE A 75 -4.381 -9.896 3.661 1.00 61.12 H new ATOM 0 HG13 ILE A 75 -4.125 -11.021 2.343 1.00 61.12 H new ATOM 0 HG21 ILE A 75 -6.201 -10.368 4.787 1.00 14.15 H new ATOM 0 HG22 ILE A 75 -7.641 -11.142 4.082 1.00 14.15 H new ATOM 0 HG23 ILE A 75 -6.092 -12.018 4.128 1.00 14.15 H new ATOM 0 HD11 ILE A 75 -3.226 -8.799 1.786 1.00 5.43 H new ATOM 0 HD12 ILE A 75 -4.570 -9.215 0.696 1.00 5.43 H new ATOM 0 HD13 ILE A 75 -4.830 -8.072 2.035 1.00 5.43 H new ATOM 1183 N ASP A 76 -8.556 -11.311 -0.121 1.00 11.15 N ATOM 1184 CA ASP A 76 -9.933 -11.205 -0.656 1.00 23.11 C ATOM 1185 C ASP A 76 -9.946 -11.614 -2.143 1.00 73.44 C ATOM 1186 O ASP A 76 -10.768 -11.130 -2.919 1.00 4.05 O ATOM 1187 CB ASP A 76 -10.500 -9.773 -0.476 1.00 4.43 C ATOM 1188 CG ASP A 76 -12.003 -9.675 -0.216 1.00 2.45 C ATOM 1189 OD1 ASP A 76 -12.398 -9.586 0.970 1.00 3.45 O ATOM 1190 OD2 ASP A 76 -12.802 -9.426 -1.141 1.00 21.31 O ATOM 0 H ASP A 76 -7.870 -11.479 -0.857 1.00 11.15 H new ATOM 0 HA ASP A 76 -10.575 -11.883 -0.093 1.00 23.11 H new ATOM 0 HB2 ASP A 76 -9.976 -9.298 0.353 1.00 4.43 H new ATOM 0 HB3 ASP A 76 -10.268 -9.197 -1.372 1.00 4.43 H new ATOM 1195 N GLY A 77 -8.981 -12.427 -2.593 1.00 22.53 N ATOM 1196 CA GLY A 77 -8.820 -12.818 -3.992 1.00 45.04 C ATOM 1197 C GLY A 77 -8.250 -11.719 -4.892 1.00 12.43 C ATOM 1198 O GLY A 77 -8.385 -11.784 -6.117 1.00 43.01 O ATOM 0 H GLY A 77 -8.278 -12.838 -1.979 1.00 22.53 H new ATOM 0 HA2 GLY A 77 -8.165 -13.688 -4.041 1.00 45.04 H new ATOM 0 HA3 GLY A 77 -9.789 -13.127 -4.385 1.00 45.04 H new ATOM 1202 N LYS A 78 -7.596 -10.721 -4.295 1.00 10.43 N ATOM 1203 CA LYS A 78 -6.978 -9.564 -4.914 1.00 12.45 C ATOM 1204 C LYS A 78 -5.482 -9.535 -4.624 1.00 12.43 C ATOM 1205 O LYS A 78 -5.055 -9.029 -3.584 1.00 50.12 O ATOM 1206 CB LYS A 78 -7.663 -8.266 -4.459 1.00 34.53 C ATOM 1207 CG LYS A 78 -8.347 -8.295 -3.090 1.00 2.04 C ATOM 1208 CD LYS A 78 -7.461 -8.561 -1.869 1.00 70.22 C ATOM 1209 CE LYS A 78 -6.695 -7.335 -1.380 1.00 70.31 C ATOM 1210 NZ LYS A 78 -7.298 -6.736 -0.164 1.00 23.43 N ATOM 0 H LYS A 78 -7.480 -10.708 -3.282 1.00 10.43 H new ATOM 0 HA LYS A 78 -7.108 -9.642 -5.993 1.00 12.45 H new ATOM 0 HB2 LYS A 78 -6.916 -7.472 -4.450 1.00 34.53 H new ATOM 0 HB3 LYS A 78 -8.408 -7.994 -5.206 1.00 34.53 H new ATOM 0 HG2 LYS A 78 -8.847 -7.338 -2.942 1.00 2.04 H new ATOM 0 HG3 LYS A 78 -9.123 -9.060 -3.117 1.00 2.04 H new ATOM 0 HD2 LYS A 78 -8.083 -8.936 -1.056 1.00 70.22 H new ATOM 0 HD3 LYS A 78 -6.748 -9.348 -2.115 1.00 70.22 H new ATOM 0 HE2 LYS A 78 -5.663 -7.616 -1.169 1.00 70.31 H new ATOM 0 HE3 LYS A 78 -6.667 -6.588 -2.173 1.00 70.31 H new ATOM 0 HZ1 LYS A 78 -6.804 -5.851 0.069 1.00 23.43 H new ATOM 0 HZ2 LYS A 78 -8.304 -6.536 -0.338 1.00 23.43 H new ATOM 0 HZ3 LYS A 78 -7.210 -7.401 0.631 1.00 23.43 H new ATOM 1224 N THR A 79 -4.661 -10.046 -5.528 1.00 25.41 N ATOM 1225 CA THR A 79 -3.230 -9.879 -5.358 1.00 1.32 C ATOM 1226 C THR A 79 -2.909 -8.375 -5.426 1.00 70.20 C ATOM 1227 O THR A 79 -3.213 -7.728 -6.427 1.00 45.21 O ATOM 1228 CB THR A 79 -2.446 -10.723 -6.369 1.00 30.45 C ATOM 1229 OG1 THR A 79 -3.015 -12.017 -6.537 1.00 72.44 O ATOM 1230 CG2 THR A 79 -1.029 -10.889 -5.827 1.00 64.32 C ATOM 0 H THR A 79 -4.949 -10.562 -6.359 1.00 25.41 H new ATOM 0 HA THR A 79 -2.914 -10.249 -4.383 1.00 1.32 H new ATOM 0 HB THR A 79 -2.465 -10.220 -7.336 1.00 30.45 H new ATOM 0 HG1 THR A 79 -2.488 -12.524 -7.190 1.00 72.44 H new ATOM 0 HG21 THR A 79 -0.441 -11.487 -6.523 1.00 64.32 H new ATOM 0 HG22 THR A 79 -0.567 -9.909 -5.710 1.00 64.32 H new ATOM 0 HG23 THR A 79 -1.066 -11.390 -4.860 1.00 64.32 H new ATOM 1238 N ILE A 80 -2.408 -7.789 -4.338 1.00 21.23 N ATOM 1239 CA ILE A 80 -2.011 -6.385 -4.269 1.00 2.31 C ATOM 1240 C ILE A 80 -0.876 -6.107 -5.263 1.00 12.15 C ATOM 1241 O ILE A 80 -0.235 -7.017 -5.781 1.00 45.10 O ATOM 1242 CB ILE A 80 -1.713 -5.997 -2.794 1.00 30.25 C ATOM 1243 CG1 ILE A 80 -2.914 -6.272 -1.856 1.00 72.20 C ATOM 1244 CG2 ILE A 80 -1.252 -4.543 -2.572 1.00 30.55 C ATOM 1245 CD1 ILE A 80 -4.177 -5.485 -2.239 1.00 52.20 C ATOM 0 H ILE A 80 -2.264 -8.290 -3.461 1.00 21.23 H new ATOM 0 HA ILE A 80 -2.825 -5.731 -4.582 1.00 2.31 H new ATOM 0 HB ILE A 80 -0.873 -6.645 -2.543 1.00 30.25 H new ATOM 0 HG12 ILE A 80 -3.140 -7.338 -1.870 1.00 72.20 H new ATOM 0 HG13 ILE A 80 -2.633 -6.019 -0.834 1.00 72.20 H new ATOM 0 HG21 ILE A 80 -1.071 -4.377 -1.510 1.00 30.55 H new ATOM 0 HG22 ILE A 80 -0.332 -4.364 -3.129 1.00 30.55 H new ATOM 0 HG23 ILE A 80 -2.026 -3.859 -2.920 1.00 30.55 H new ATOM 0 HD11 ILE A 80 -4.980 -5.724 -1.542 1.00 52.20 H new ATOM 0 HD12 ILE A 80 -3.966 -4.416 -2.197 1.00 52.20 H new ATOM 0 HD13 ILE A 80 -4.482 -5.756 -3.250 1.00 52.20 H new ATOM 1257 N ASN A 81 -0.647 -4.827 -5.545 1.00 21.15 N ATOM 1258 CA ASN A 81 0.375 -4.320 -6.455 1.00 33.22 C ATOM 1259 C ASN A 81 1.298 -3.373 -5.696 1.00 70.53 C ATOM 1260 O ASN A 81 0.906 -2.840 -4.657 1.00 10.01 O ATOM 1261 CB ASN A 81 -0.316 -3.588 -7.622 1.00 43.10 C ATOM 1262 CG ASN A 81 -0.196 -4.277 -8.962 1.00 2.31 C ATOM 1263 OD1 ASN A 81 0.047 -3.644 -9.981 1.00 43.01 O ATOM 1264 ND2 ASN A 81 -0.508 -5.555 -8.994 1.00 41.02 N ATOM 0 H ASN A 81 -1.197 -4.078 -5.124 1.00 21.15 H new ATOM 0 HA ASN A 81 0.971 -5.141 -6.854 1.00 33.22 H new ATOM 0 HB2 ASN A 81 -1.373 -3.470 -7.383 1.00 43.10 H new ATOM 0 HB3 ASN A 81 0.106 -2.586 -7.705 1.00 43.10 H new ATOM 0 HD21 ASN A 81 -0.553 -6.047 -9.886 1.00 41.02 H new ATOM 0 HD22 ASN A 81 -0.705 -6.054 -8.126 1.00 41.02 H new ATOM 1271 N VAL A 82 2.483 -3.117 -6.246 1.00 14.21 N ATOM 1272 CA VAL A 82 3.486 -2.191 -5.725 1.00 65.31 C ATOM 1273 C VAL A 82 3.747 -1.158 -6.821 1.00 41.44 C ATOM 1274 O VAL A 82 3.726 -1.488 -8.005 1.00 51.22 O ATOM 1275 CB VAL A 82 4.796 -2.933 -5.345 1.00 52.54 C ATOM 1276 CG1 VAL A 82 5.633 -2.076 -4.382 1.00 12.55 C ATOM 1277 CG2 VAL A 82 4.548 -4.299 -4.678 1.00 23.14 C ATOM 0 H VAL A 82 2.784 -3.571 -7.108 1.00 14.21 H new ATOM 0 HA VAL A 82 3.126 -1.712 -4.814 1.00 65.31 H new ATOM 0 HB VAL A 82 5.325 -3.104 -6.282 1.00 52.54 H new ATOM 0 HG11 VAL A 82 6.549 -2.608 -4.124 1.00 12.55 H new ATOM 0 HG12 VAL A 82 5.886 -1.131 -4.862 1.00 12.55 H new ATOM 0 HG13 VAL A 82 5.059 -1.881 -3.476 1.00 12.55 H new ATOM 0 HG21 VAL A 82 5.503 -4.765 -4.438 1.00 23.14 H new ATOM 0 HG22 VAL A 82 3.973 -4.158 -3.763 1.00 23.14 H new ATOM 0 HG23 VAL A 82 3.992 -4.942 -5.361 1.00 23.14 H new ATOM 1287 N GLU A 83 3.952 0.099 -6.445 1.00 31.24 N ATOM 1288 CA GLU A 83 4.335 1.201 -7.312 1.00 33.04 C ATOM 1289 C GLU A 83 5.193 2.157 -6.495 1.00 33.34 C ATOM 1290 O GLU A 83 5.177 2.126 -5.263 1.00 20.23 O ATOM 1291 CB GLU A 83 3.096 1.948 -7.827 1.00 11.43 C ATOM 1292 CG GLU A 83 2.583 1.458 -9.180 1.00 22.45 C ATOM 1293 CD GLU A 83 3.346 2.121 -10.320 1.00 13.14 C ATOM 1294 OE1 GLU A 83 4.500 1.727 -10.588 1.00 44.22 O ATOM 1295 OE2 GLU A 83 2.795 3.116 -10.866 1.00 24.21 O ATOM 0 H GLU A 83 3.849 0.390 -5.473 1.00 31.24 H new ATOM 0 HA GLU A 83 4.882 0.817 -8.173 1.00 33.04 H new ATOM 0 HB2 GLU A 83 2.297 1.852 -7.092 1.00 11.43 H new ATOM 0 HB3 GLU A 83 3.332 3.009 -7.904 1.00 11.43 H new ATOM 0 HG2 GLU A 83 2.692 0.375 -9.245 1.00 22.45 H new ATOM 0 HG3 GLU A 83 1.519 1.678 -9.272 1.00 22.45 H new ATOM 1302 N PHE A 84 5.886 3.054 -7.182 1.00 53.53 N ATOM 1303 CA PHE A 84 6.769 4.054 -6.590 1.00 15.14 C ATOM 1304 C PHE A 84 6.380 5.401 -7.188 1.00 42.44 C ATOM 1305 O PHE A 84 6.256 5.515 -8.407 1.00 3.51 O ATOM 1306 CB PHE A 84 8.229 3.660 -6.879 1.00 31.41 C ATOM 1307 CG PHE A 84 9.336 4.264 -6.020 1.00 55.51 C ATOM 1308 CD1 PHE A 84 9.285 4.176 -4.616 1.00 21.03 C ATOM 1309 CD2 PHE A 84 10.511 4.752 -6.624 1.00 55.34 C ATOM 1310 CE1 PHE A 84 10.414 4.486 -3.833 1.00 15.15 C ATOM 1311 CE2 PHE A 84 11.624 5.107 -5.841 1.00 61.10 C ATOM 1312 CZ PHE A 84 11.582 4.965 -4.444 1.00 4.14 C ATOM 0 H PHE A 84 5.849 3.109 -8.200 1.00 53.53 H new ATOM 0 HA PHE A 84 6.672 4.117 -5.506 1.00 15.14 H new ATOM 0 HB2 PHE A 84 8.301 2.576 -6.796 1.00 31.41 H new ATOM 0 HB3 PHE A 84 8.441 3.915 -7.917 1.00 31.41 H new ATOM 0 HD1 PHE A 84 8.369 3.867 -4.134 1.00 21.03 H new ATOM 0 HD2 PHE A 84 10.558 4.855 -7.698 1.00 55.34 H new ATOM 0 HE1 PHE A 84 10.380 4.355 -2.762 1.00 15.15 H new ATOM 0 HE2 PHE A 84 12.515 5.491 -6.316 1.00 61.10 H new ATOM 0 HZ PHE A 84 12.443 5.223 -3.845 1.00 4.14 H new ATOM 1322 N ALA A 85 6.147 6.400 -6.337 1.00 11.25 N ATOM 1323 CA ALA A 85 5.881 7.776 -6.735 1.00 12.34 C ATOM 1324 C ALA A 85 6.799 8.677 -5.915 1.00 64.22 C ATOM 1325 O ALA A 85 6.365 9.451 -5.062 1.00 61.21 O ATOM 1326 CB ALA A 85 4.395 8.105 -6.564 1.00 73.23 C ATOM 0 H ALA A 85 6.139 6.268 -5.326 1.00 11.25 H new ATOM 0 HA ALA A 85 6.094 7.935 -7.792 1.00 12.34 H new ATOM 0 HB1 ALA A 85 4.214 9.137 -6.866 1.00 73.23 H new ATOM 0 HB2 ALA A 85 3.800 7.435 -7.185 1.00 73.23 H new ATOM 0 HB3 ALA A 85 4.112 7.978 -5.519 1.00 73.23 H new ATOM 1332 N LYS A 86 8.102 8.531 -6.142 1.00 12.45 N ATOM 1333 CA LYS A 86 9.169 9.247 -5.459 1.00 33.31 C ATOM 1334 C LYS A 86 9.264 10.669 -6.032 1.00 23.42 C ATOM 1335 O LYS A 86 10.322 11.083 -6.501 1.00 61.31 O ATOM 1336 CB LYS A 86 10.452 8.396 -5.612 1.00 63.04 C ATOM 1337 CG LYS A 86 11.493 8.578 -4.492 1.00 21.33 C ATOM 1338 CD LYS A 86 12.051 9.991 -4.289 1.00 64.01 C ATOM 1339 CE LYS A 86 12.948 10.422 -5.457 1.00 51.31 C ATOM 1340 NZ LYS A 86 12.831 11.864 -5.748 1.00 3.15 N ATOM 0 H LYS A 86 8.456 7.878 -6.841 1.00 12.45 H new ATOM 0 HA LYS A 86 8.990 9.379 -4.392 1.00 33.31 H new ATOM 0 HB2 LYS A 86 10.169 7.344 -5.656 1.00 63.04 H new ATOM 0 HB3 LYS A 86 10.920 8.641 -6.565 1.00 63.04 H new ATOM 0 HG2 LYS A 86 11.043 8.253 -3.554 1.00 21.33 H new ATOM 0 HG3 LYS A 86 12.329 7.908 -4.694 1.00 21.33 H new ATOM 0 HD2 LYS A 86 11.226 10.696 -4.185 1.00 64.01 H new ATOM 0 HD3 LYS A 86 12.621 10.027 -3.360 1.00 64.01 H new ATOM 0 HE2 LYS A 86 13.986 10.183 -5.223 1.00 51.31 H new ATOM 0 HE3 LYS A 86 12.682 9.851 -6.347 1.00 51.31 H new ATOM 0 HZ1 LYS A 86 13.571 12.143 -6.423 1.00 3.15 H new ATOM 0 HZ2 LYS A 86 11.896 12.061 -6.158 1.00 3.15 H new ATOM 0 HZ3 LYS A 86 12.944 12.406 -4.868 1.00 3.15 H new ATOM 1354 N GLY A 87 8.174 11.437 -6.035 1.00 24.32 N ATOM 1355 CA GLY A 87 8.179 12.799 -6.566 1.00 75.04 C ATOM 1356 C GLY A 87 8.524 12.884 -8.058 1.00 33.24 C ATOM 1357 O GLY A 87 8.852 13.970 -8.537 1.00 3.43 O ATOM 0 H GLY A 87 7.270 11.135 -5.672 1.00 24.32 H new ATOM 0 HA2 GLY A 87 7.198 13.245 -6.404 1.00 75.04 H new ATOM 0 HA3 GLY A 87 8.897 13.395 -6.003 1.00 75.04 H new ATOM 1361 N SER A 88 8.467 11.764 -8.777 1.00 71.42 N ATOM 1362 CA SER A 88 8.777 11.636 -10.188 1.00 54.21 C ATOM 1363 C SER A 88 7.459 11.620 -10.946 1.00 14.22 C ATOM 1364 O SER A 88 6.831 12.700 -10.991 1.00 41.53 O ATOM 1365 CB SER A 88 9.676 10.415 -10.355 1.00 34.23 C ATOM 1366 OG SER A 88 11.025 10.793 -10.151 1.00 15.34 O ATOM 0 H SER A 88 8.187 10.876 -8.361 1.00 71.42 H new ATOM 0 HA SER A 88 9.342 12.468 -10.608 1.00 54.21 H new ATOM 0 HB2 SER A 88 9.392 9.640 -9.643 1.00 34.23 H new ATOM 0 HB3 SER A 88 9.552 9.992 -11.352 1.00 34.23 H new ATOM 0 HG SER A 88 11.604 10.009 -10.256 1.00 15.34 H new TER 1372 SER A 88