USER MOD reduce.3.24.130724 H: found=0, std=0, add=1158, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1158 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 122 GLN : amide:sc= -0.261 X(o=0.084,f=-0.032) USER MOD Set 1.2: A 126 SER OG : rot 69:sc= 0.345 USER MOD Set 2.1: A 8 ASN : amide:sc= 0.499 K(o=1.4,f=-2.5) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 142:sc= 0.894 (180deg=-0.937) USER MOD Set 3.1: A 10 ASN : amide:sc= 0.0219 X(o=0.024,f=-0.013) USER MOD Set 3.2: A 11 ASN : amide:sc= 0.232 X(o=0.024,f=-0.33) USER MOD Set 3.3: A 85 GLN : amide:sc= -0.23 X(o=0.024,f=0.49) USER MOD Set 4.1: A 9 THR OG1 : rot 43:sc= 0.347 USER MOD Set 4.2: A 83 GLN : amide:sc= 0.44 K(o=0.79,f=-1.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.000964 (180deg=-0.226) USER MOD Single : A 2 LYS NZ :NH3+ 141:sc= 1.85 (180deg=-0.579) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 138:sc= 0.599 (180deg=0.0248) USER MOD Single : A 20 LYS NZ :NH3+ -136:sc= 0.592 (180deg=0.00591) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 40:sc= -0.527 USER MOD Single : A 28 GLN : amide:sc= -0.558 K(o=-0.56,f=-2.9!) USER MOD Single : A 33 ASN : amide:sc= -0.0308 X(o=-0.031,f=-0.0097) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -178:sc= -2.75 (180deg=-2.81) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0346) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc=-0.00602 (180deg=-0.121) USER MOD Single : A 50 ASN : amide:sc= -0.361 K(o=-0.36,f=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= 2.33 (180deg=1.02) USER MOD Single : A 58 SER OG : rot -97:sc= 0.375 USER MOD Single : A 59 ASN : amide:sc= 0.302 X(o=0.3,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -127:sc= -2.35 (180deg=-4.65!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -171:sc=-0.00293 (180deg=-0.0994) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -120:sc= 1.13 (180deg=-0.293) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -143:sc= -2.51 (180deg=-5.93!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0309) USER MOD Single : A 121 MET CE :methyl -159:sc= -1.11 (180deg=-2.15) USER MOD Single : A 123 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0718) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.711 X(o=-0.71,f=-1.2) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.502 8.882 15.767 1.00 0.00 N ATOM 2 CA MET A 1 2.392 8.876 14.592 1.00 52.33 C ATOM 3 C MET A 1 2.704 7.422 14.179 1.00 24.13 C ATOM 4 O MET A 1 3.619 6.794 14.724 1.00 33.54 O ATOM 5 CB MET A 1 3.696 9.673 14.897 1.00 51.01 C ATOM 6 CG MET A 1 3.451 11.070 15.491 1.00 74.30 C ATOM 7 SD MET A 1 2.397 12.101 14.445 1.00 45.11 S ATOM 8 CE MET A 1 2.144 13.540 15.494 1.00 44.25 C ATOM 0 H1 MET A 1 1.133 9.842 15.918 1.00 0.00 H new ATOM 0 H2 MET A 1 0.710 8.228 15.606 1.00 0.00 H new ATOM 0 H3 MET A 1 2.035 8.580 16.608 1.00 0.00 H new ATOM 0 HA MET A 1 1.891 9.367 13.757 1.00 52.33 H new ATOM 0 HB2 MET A 1 4.308 9.097 15.591 1.00 51.01 H new ATOM 0 HB3 MET A 1 4.270 9.777 13.976 1.00 51.01 H new ATOM 0 HG2 MET A 1 2.990 10.966 16.473 1.00 74.30 H new ATOM 0 HG3 MET A 1 4.408 11.570 15.639 1.00 74.30 H new ATOM 0 HE1 MET A 1 1.511 14.261 14.976 1.00 44.25 H new ATOM 0 HE2 MET A 1 1.661 13.233 16.422 1.00 44.25 H new ATOM 0 HE3 MET A 1 3.106 13.999 15.720 1.00 44.25 H new ATOM 20 N LYS A 2 1.898 6.876 13.243 1.00 54.22 N ATOM 21 CA LYS A 2 2.117 5.534 12.654 1.00 25.04 C ATOM 22 C LYS A 2 2.434 5.671 11.165 1.00 30.25 C ATOM 23 O LYS A 2 1.975 6.612 10.502 1.00 22.34 O ATOM 24 CB LYS A 2 0.872 4.621 12.832 1.00 30.12 C ATOM 25 CG LYS A 2 0.500 4.325 14.296 1.00 63.52 C ATOM 26 CD LYS A 2 -0.759 3.430 14.438 1.00 33.33 C ATOM 27 CE LYS A 2 -0.625 2.066 13.738 1.00 0.34 C ATOM 28 NZ LYS A 2 0.595 1.341 14.168 1.00 71.42 N ATOM 0 H LYS A 2 1.076 7.353 12.873 1.00 54.22 H new ATOM 0 HA LYS A 2 2.955 5.073 13.176 1.00 25.04 H new ATOM 0 HB2 LYS A 2 0.020 5.091 12.342 1.00 30.12 H new ATOM 0 HB3 LYS A 2 1.054 3.677 12.319 1.00 30.12 H new ATOM 0 HG2 LYS A 2 1.342 3.837 14.786 1.00 63.52 H new ATOM 0 HG3 LYS A 2 0.329 5.266 14.818 1.00 63.52 H new ATOM 0 HD2 LYS A 2 -0.962 3.268 15.497 1.00 33.33 H new ATOM 0 HD3 LYS A 2 -1.619 3.958 14.026 1.00 33.33 H new ATOM 0 HE2 LYS A 2 -1.504 1.459 13.955 1.00 0.34 H new ATOM 0 HE3 LYS A 2 -0.598 2.213 12.658 1.00 0.34 H new ATOM 0 HZ1 LYS A 2 0.381 0.328 14.263 1.00 71.42 H new ATOM 0 HZ2 LYS A 2 1.345 1.472 13.459 1.00 71.42 H new ATOM 0 HZ3 LYS A 2 0.916 1.714 15.084 1.00 71.42 H new ATOM 42 N ILE A 3 3.230 4.726 10.655 1.00 1.11 N ATOM 43 CA ILE A 3 3.573 4.637 9.233 1.00 34.34 C ATOM 44 C ILE A 3 2.893 3.397 8.638 1.00 1.04 C ATOM 45 O ILE A 3 3.129 2.273 9.101 1.00 22.23 O ATOM 46 CB ILE A 3 5.132 4.558 9.022 1.00 1.00 C ATOM 47 CG1 ILE A 3 5.829 5.809 9.649 1.00 33.25 C ATOM 48 CG2 ILE A 3 5.486 4.409 7.521 1.00 23.12 C ATOM 49 CD1 ILE A 3 7.347 5.758 9.654 1.00 61.41 C ATOM 0 H ILE A 3 3.658 3.995 11.223 1.00 1.11 H new ATOM 0 HA ILE A 3 3.221 5.536 8.727 1.00 34.34 H new ATOM 0 HB ILE A 3 5.503 3.670 9.533 1.00 1.00 H new ATOM 0 HG12 ILE A 3 5.511 6.697 9.102 1.00 33.25 H new ATOM 0 HG13 ILE A 3 5.480 5.925 10.675 1.00 33.25 H new ATOM 0 HG21 ILE A 3 6.569 4.357 7.406 1.00 23.12 H new ATOM 0 HG22 ILE A 3 5.035 3.497 7.130 1.00 23.12 H new ATOM 0 HG23 ILE A 3 5.103 5.268 6.970 1.00 23.12 H new ATOM 0 HD11 ILE A 3 7.740 6.668 10.108 1.00 61.41 H new ATOM 0 HD12 ILE A 3 7.680 4.893 10.228 1.00 61.41 H new ATOM 0 HD13 ILE A 3 7.712 5.676 8.630 1.00 61.41 H new ATOM 61 N LEU A 4 2.018 3.610 7.647 1.00 23.02 N ATOM 62 CA LEU A 4 1.382 2.521 6.890 1.00 12.22 C ATOM 63 C LEU A 4 2.043 2.449 5.511 1.00 14.11 C ATOM 64 O LEU A 4 2.404 3.483 4.942 1.00 30.01 O ATOM 65 CB LEU A 4 -0.149 2.761 6.734 1.00 54.13 C ATOM 66 CG LEU A 4 -0.963 3.026 8.042 1.00 73.21 C ATOM 67 CD1 LEU A 4 -2.461 3.225 7.726 1.00 31.31 C ATOM 68 CD2 LEU A 4 -0.755 1.910 9.092 1.00 64.21 C ATOM 0 H LEU A 4 1.730 4.541 7.346 1.00 23.02 H new ATOM 0 HA LEU A 4 1.514 1.582 7.429 1.00 12.22 H new ATOM 0 HB2 LEU A 4 -0.292 3.612 6.068 1.00 54.13 H new ATOM 0 HB3 LEU A 4 -0.579 1.891 6.238 1.00 54.13 H new ATOM 0 HG LEU A 4 -0.582 3.948 8.480 1.00 73.21 H new ATOM 0 HD11 LEU A 4 -3.007 3.408 8.652 1.00 31.31 H new ATOM 0 HD12 LEU A 4 -2.582 4.078 7.059 1.00 31.31 H new ATOM 0 HD13 LEU A 4 -2.853 2.329 7.244 1.00 31.31 H new ATOM 0 HD21 LEU A 4 -1.339 2.136 9.984 1.00 64.21 H new ATOM 0 HD22 LEU A 4 -1.080 0.956 8.678 1.00 64.21 H new ATOM 0 HD23 LEU A 4 0.301 1.851 9.356 1.00 64.21 H new ATOM 80 N ILE A 5 2.240 1.237 4.992 1.00 32.51 N ATOM 81 CA ILE A 5 2.718 1.041 3.613 1.00 0.44 C ATOM 82 C ILE A 5 1.577 0.367 2.835 1.00 20.14 C ATOM 83 O ILE A 5 1.339 -0.832 2.987 1.00 13.24 O ATOM 84 CB ILE A 5 4.031 0.155 3.550 1.00 5.23 C ATOM 85 CG1 ILE A 5 5.128 0.638 4.566 1.00 23.24 C ATOM 86 CG2 ILE A 5 4.601 0.113 2.106 1.00 43.44 C ATOM 87 CD1 ILE A 5 5.709 2.013 4.296 1.00 0.14 C ATOM 0 H ILE A 5 2.077 0.370 5.504 1.00 32.51 H new ATOM 0 HA ILE A 5 2.984 2.004 3.178 1.00 0.44 H new ATOM 0 HB ILE A 5 3.746 -0.855 3.843 1.00 5.23 H new ATOM 0 HG12 ILE A 5 4.697 0.635 5.567 1.00 23.24 H new ATOM 0 HG13 ILE A 5 5.942 -0.087 4.567 1.00 23.24 H new ATOM 0 HG21 ILE A 5 5.502 -0.501 2.088 1.00 43.44 H new ATOM 0 HG22 ILE A 5 3.857 -0.314 1.434 1.00 43.44 H new ATOM 0 HG23 ILE A 5 4.845 1.125 1.782 1.00 43.44 H new ATOM 0 HD11 ILE A 5 6.455 2.248 5.055 1.00 0.14 H new ATOM 0 HD12 ILE A 5 6.177 2.023 3.312 1.00 0.14 H new ATOM 0 HD13 ILE A 5 4.913 2.757 4.327 1.00 0.14 H new ATOM 99 N LEU A 6 0.860 1.148 2.021 1.00 62.42 N ATOM 100 CA LEU A 6 -0.306 0.665 1.261 1.00 33.11 C ATOM 101 C LEU A 6 0.227 0.193 -0.101 1.00 33.30 C ATOM 102 O LEU A 6 0.955 0.927 -0.750 1.00 52.41 O ATOM 103 CB LEU A 6 -1.350 1.823 1.096 1.00 12.32 C ATOM 104 CG LEU A 6 -2.870 1.431 0.986 1.00 71.02 C ATOM 105 CD1 LEU A 6 -3.166 0.430 -0.157 1.00 15.11 C ATOM 106 CD2 LEU A 6 -3.400 0.914 2.338 1.00 43.22 C ATOM 0 H LEU A 6 1.069 2.135 1.868 1.00 62.42 H new ATOM 0 HA LEU A 6 -0.814 -0.152 1.773 1.00 33.11 H new ATOM 0 HB2 LEU A 6 -1.239 2.498 1.945 1.00 12.32 H new ATOM 0 HB3 LEU A 6 -1.085 2.388 0.203 1.00 12.32 H new ATOM 0 HG LEU A 6 -3.406 2.344 0.726 1.00 71.02 H new ATOM 0 HD11 LEU A 6 -4.232 0.204 -0.175 1.00 15.11 H new ATOM 0 HD12 LEU A 6 -2.872 0.869 -1.110 1.00 15.11 H new ATOM 0 HD13 LEU A 6 -2.603 -0.488 0.009 1.00 15.11 H new ATOM 0 HD21 LEU A 6 -4.453 0.649 2.239 1.00 43.22 H new ATOM 0 HD22 LEU A 6 -2.831 0.034 2.640 1.00 43.22 H new ATOM 0 HD23 LEU A 6 -3.292 1.693 3.093 1.00 43.22 H new ATOM 118 N ILE A 7 -0.097 -1.034 -0.515 1.00 25.53 N ATOM 119 CA ILE A 7 0.363 -1.596 -1.803 1.00 33.00 C ATOM 120 C ILE A 7 -0.814 -2.280 -2.520 1.00 35.30 C ATOM 121 O ILE A 7 -1.507 -3.104 -1.928 1.00 40.54 O ATOM 122 CB ILE A 7 1.551 -2.625 -1.595 1.00 42.43 C ATOM 123 CG1 ILE A 7 2.761 -1.930 -0.882 1.00 34.01 C ATOM 124 CG2 ILE A 7 1.989 -3.257 -2.942 1.00 14.53 C ATOM 125 CD1 ILE A 7 3.926 -2.836 -0.548 1.00 31.34 C ATOM 0 H ILE A 7 -0.683 -1.670 0.025 1.00 25.53 H new ATOM 0 HA ILE A 7 0.738 -0.778 -2.418 1.00 33.00 H new ATOM 0 HB ILE A 7 1.192 -3.431 -0.955 1.00 42.43 H new ATOM 0 HG12 ILE A 7 3.122 -1.123 -1.520 1.00 34.01 H new ATOM 0 HG13 ILE A 7 2.403 -1.472 0.040 1.00 34.01 H new ATOM 0 HG21 ILE A 7 2.805 -3.958 -2.767 1.00 14.53 H new ATOM 0 HG22 ILE A 7 1.146 -3.785 -3.387 1.00 14.53 H new ATOM 0 HG23 ILE A 7 2.324 -2.472 -3.620 1.00 14.53 H new ATOM 0 HD11 ILE A 7 4.709 -2.257 -0.058 1.00 31.34 H new ATOM 0 HD12 ILE A 7 3.590 -3.630 0.119 1.00 31.34 H new ATOM 0 HD13 ILE A 7 4.320 -3.275 -1.465 1.00 31.34 H new ATOM 137 N ASN A 8 -1.040 -1.909 -3.788 1.00 32.44 N ATOM 138 CA ASN A 8 -2.001 -2.570 -4.682 1.00 21.41 C ATOM 139 C ASN A 8 -1.227 -3.191 -5.834 1.00 41.25 C ATOM 140 O ASN A 8 -0.571 -2.480 -6.577 1.00 5.24 O ATOM 141 CB ASN A 8 -3.042 -1.562 -5.226 1.00 73.44 C ATOM 142 CG ASN A 8 -3.998 -2.157 -6.277 1.00 4.31 C ATOM 143 OD1 ASN A 8 -3.757 -2.078 -7.484 1.00 73.42 O ATOM 144 ND2 ASN A 8 -5.077 -2.774 -5.826 1.00 33.12 N ATOM 0 H ASN A 8 -0.552 -1.129 -4.228 1.00 32.44 H new ATOM 0 HA ASN A 8 -2.543 -3.336 -4.128 1.00 21.41 H new ATOM 0 HB2 ASN A 8 -3.629 -1.176 -4.393 1.00 73.44 H new ATOM 0 HB3 ASN A 8 -2.517 -0.714 -5.666 1.00 73.44 H new ATOM 0 HD21 ASN A 8 -5.733 -3.199 -6.481 1.00 33.12 H new ATOM 0 HD22 ASN A 8 -5.253 -2.825 -4.823 1.00 33.12 H new ATOM 151 N THR A 9 -1.267 -4.516 -5.944 1.00 53.31 N ATOM 152 CA THR A 9 -0.695 -5.244 -7.087 1.00 71.21 C ATOM 153 C THR A 9 -1.762 -6.148 -7.711 1.00 44.34 C ATOM 154 O THR A 9 -2.602 -6.711 -7.001 1.00 63.34 O ATOM 155 CB THR A 9 0.576 -6.060 -6.685 1.00 12.30 C ATOM 156 OG1 THR A 9 1.015 -6.870 -7.791 1.00 64.22 O ATOM 157 CG2 THR A 9 0.347 -6.940 -5.442 1.00 61.12 C ATOM 0 H THR A 9 -1.697 -5.122 -5.245 1.00 53.31 H new ATOM 0 HA THR A 9 -0.373 -4.513 -7.829 1.00 71.21 H new ATOM 0 HB THR A 9 1.351 -5.338 -6.427 1.00 12.30 H new ATOM 0 HG1 THR A 9 0.977 -6.344 -8.617 1.00 64.22 H new ATOM 0 HG21 THR A 9 1.262 -7.484 -5.208 1.00 61.12 H new ATOM 0 HG22 THR A 9 0.073 -6.310 -4.596 1.00 61.12 H new ATOM 0 HG23 THR A 9 -0.456 -7.649 -5.641 1.00 61.12 H new ATOM 165 N ASN A 10 -1.715 -6.274 -9.047 1.00 60.22 N ATOM 166 CA ASN A 10 -2.633 -7.127 -9.829 1.00 51.45 C ATOM 167 C ASN A 10 -2.287 -8.621 -9.633 1.00 12.32 C ATOM 168 O ASN A 10 -3.147 -9.500 -9.761 1.00 4.44 O ATOM 169 CB ASN A 10 -2.538 -6.737 -11.335 1.00 32.21 C ATOM 170 CG ASN A 10 -3.483 -7.537 -12.246 1.00 71.24 C ATOM 171 OD1 ASN A 10 -4.630 -7.155 -12.461 1.00 14.31 O ATOM 172 ND2 ASN A 10 -3.011 -8.657 -12.783 1.00 33.11 N ATOM 0 H ASN A 10 -1.032 -5.782 -9.624 1.00 60.22 H new ATOM 0 HA ASN A 10 -3.654 -6.971 -9.480 1.00 51.45 H new ATOM 0 HB2 ASN A 10 -2.760 -5.675 -11.440 1.00 32.21 H new ATOM 0 HB3 ASN A 10 -1.512 -6.883 -11.674 1.00 32.21 H new ATOM 0 HD21 ASN A 10 -3.605 -9.222 -13.390 1.00 33.11 H new ATOM 0 HD22 ASN A 10 -2.054 -8.952 -12.588 1.00 33.11 H new ATOM 179 N ASN A 11 -1.015 -8.882 -9.296 1.00 51.41 N ATOM 180 CA ASN A 11 -0.429 -10.233 -9.282 1.00 33.42 C ATOM 181 C ASN A 11 -0.229 -10.742 -7.849 1.00 75.12 C ATOM 182 O ASN A 11 0.376 -10.060 -7.012 1.00 11.03 O ATOM 183 CB ASN A 11 0.916 -10.217 -10.046 1.00 71.41 C ATOM 184 CG ASN A 11 0.763 -9.748 -11.497 1.00 44.41 C ATOM 185 OD1 ASN A 11 -0.255 -9.988 -12.148 1.00 12.02 O ATOM 186 ND2 ASN A 11 1.764 -9.065 -12.011 1.00 5.43 N ATOM 0 H ASN A 11 -0.356 -8.153 -9.022 1.00 51.41 H new ATOM 0 HA ASN A 11 -1.119 -10.916 -9.776 1.00 33.42 H new ATOM 0 HB2 ASN A 11 1.616 -9.562 -9.528 1.00 71.41 H new ATOM 0 HB3 ASN A 11 1.348 -11.218 -10.035 1.00 71.41 H new ATOM 0 HD21 ASN A 11 1.708 -8.721 -12.970 1.00 5.43 H new ATOM 0 HD22 ASN A 11 2.596 -8.880 -11.451 1.00 5.43 H new ATOM 193 N ASP A 12 -0.743 -11.963 -7.602 1.00 61.20 N ATOM 194 CA ASP A 12 -0.605 -12.687 -6.317 1.00 11.44 C ATOM 195 C ASP A 12 0.852 -13.102 -6.041 1.00 15.00 C ATOM 196 O ASP A 12 1.214 -13.388 -4.891 1.00 64.41 O ATOM 197 CB ASP A 12 -1.540 -13.925 -6.290 1.00 41.42 C ATOM 198 CG ASP A 12 -3.024 -13.536 -6.437 1.00 1.42 C ATOM 199 OD1 ASP A 12 -3.515 -13.424 -7.583 1.00 70.23 O ATOM 200 OD2 ASP A 12 -3.701 -13.329 -5.406 1.00 43.40 O ATOM 0 H ASP A 12 -1.275 -12.485 -8.299 1.00 61.20 H new ATOM 0 HA ASP A 12 -0.902 -12.002 -5.523 1.00 11.44 H new ATOM 0 HB2 ASP A 12 -1.263 -14.605 -7.095 1.00 41.42 H new ATOM 0 HB3 ASP A 12 -1.399 -14.465 -5.354 1.00 41.42 H new ATOM 205 N GLU A 13 1.672 -13.136 -7.116 1.00 22.14 N ATOM 206 CA GLU A 13 3.131 -13.331 -7.020 1.00 32.05 C ATOM 207 C GLU A 13 3.759 -12.184 -6.215 1.00 54.40 C ATOM 208 O GLU A 13 4.458 -12.423 -5.234 1.00 42.14 O ATOM 209 CB GLU A 13 3.759 -13.419 -8.440 1.00 61.25 C ATOM 210 CG GLU A 13 3.337 -14.675 -9.220 1.00 40.14 C ATOM 211 CD GLU A 13 3.777 -14.656 -10.687 1.00 22.23 C ATOM 212 OE1 GLU A 13 4.994 -14.790 -10.958 1.00 64.25 O ATOM 213 OE2 GLU A 13 2.917 -14.487 -11.578 1.00 32.42 O ATOM 0 H GLU A 13 1.337 -13.029 -8.074 1.00 22.14 H new ATOM 0 HA GLU A 13 3.332 -14.269 -6.502 1.00 32.05 H new ATOM 0 HB2 GLU A 13 3.475 -12.534 -9.010 1.00 61.25 H new ATOM 0 HB3 GLU A 13 4.845 -13.405 -8.350 1.00 61.25 H new ATOM 0 HG2 GLU A 13 3.758 -15.555 -8.733 1.00 40.14 H new ATOM 0 HG3 GLU A 13 2.252 -14.774 -9.175 1.00 40.14 H new ATOM 220 N LEU A 14 3.433 -10.930 -6.605 1.00 72.52 N ATOM 221 CA LEU A 14 3.967 -9.726 -5.935 1.00 35.24 C ATOM 222 C LEU A 14 3.486 -9.638 -4.478 1.00 62.44 C ATOM 223 O LEU A 14 4.248 -9.225 -3.619 1.00 32.35 O ATOM 224 CB LEU A 14 3.620 -8.421 -6.716 1.00 74.15 C ATOM 225 CG LEU A 14 4.560 -8.055 -7.913 1.00 35.53 C ATOM 226 CD1 LEU A 14 6.031 -7.967 -7.443 1.00 13.43 C ATOM 227 CD2 LEU A 14 4.395 -9.028 -9.109 1.00 52.23 C ATOM 0 H LEU A 14 2.802 -10.728 -7.381 1.00 72.52 H new ATOM 0 HA LEU A 14 5.053 -9.822 -5.928 1.00 35.24 H new ATOM 0 HB2 LEU A 14 2.602 -8.511 -7.096 1.00 74.15 H new ATOM 0 HB3 LEU A 14 3.625 -7.590 -6.011 1.00 74.15 H new ATOM 0 HG LEU A 14 4.262 -7.072 -8.276 1.00 35.53 H new ATOM 0 HD11 LEU A 14 6.669 -7.712 -8.289 1.00 13.43 H new ATOM 0 HD12 LEU A 14 6.122 -7.199 -6.675 1.00 13.43 H new ATOM 0 HD13 LEU A 14 6.340 -8.928 -7.033 1.00 13.43 H new ATOM 0 HD21 LEU A 14 5.068 -8.732 -9.914 1.00 52.23 H new ATOM 0 HD22 LEU A 14 4.635 -10.042 -8.789 1.00 52.23 H new ATOM 0 HD23 LEU A 14 3.366 -8.995 -9.466 1.00 52.23 H new ATOM 239 N ILE A 15 2.228 -10.058 -4.222 1.00 23.24 N ATOM 240 CA ILE A 15 1.653 -10.111 -2.857 1.00 32.33 C ATOM 241 C ILE A 15 2.586 -10.901 -1.899 1.00 15.42 C ATOM 242 O ILE A 15 3.139 -10.340 -0.938 1.00 11.33 O ATOM 243 CB ILE A 15 0.200 -10.754 -2.872 1.00 23.40 C ATOM 244 CG1 ILE A 15 -0.782 -9.884 -3.734 1.00 41.50 C ATOM 245 CG2 ILE A 15 -0.357 -10.968 -1.441 1.00 12.11 C ATOM 246 CD1 ILE A 15 -2.227 -10.373 -3.781 1.00 70.10 C ATOM 0 H ILE A 15 1.585 -10.368 -4.950 1.00 23.24 H new ATOM 0 HA ILE A 15 1.566 -9.088 -2.491 1.00 32.33 H new ATOM 0 HB ILE A 15 0.284 -11.739 -3.332 1.00 23.40 H new ATOM 0 HG12 ILE A 15 -0.774 -8.866 -3.345 1.00 41.50 H new ATOM 0 HG13 ILE A 15 -0.399 -9.838 -4.754 1.00 41.50 H new ATOM 0 HG21 ILE A 15 -1.352 -11.409 -1.500 1.00 12.11 H new ATOM 0 HG22 ILE A 15 0.304 -11.636 -0.889 1.00 12.11 H new ATOM 0 HG23 ILE A 15 -0.415 -10.009 -0.926 1.00 12.11 H new ATOM 0 HD11 ILE A 15 -2.819 -9.701 -4.403 1.00 70.10 H new ATOM 0 HD12 ILE A 15 -2.258 -11.378 -4.202 1.00 70.10 H new ATOM 0 HD13 ILE A 15 -2.638 -10.390 -2.772 1.00 70.10 H new ATOM 258 N LYS A 16 2.829 -12.177 -2.248 1.00 64.22 N ATOM 259 CA LYS A 16 3.552 -13.123 -1.379 1.00 55.34 C ATOM 260 C LYS A 16 5.061 -12.784 -1.263 1.00 22.25 C ATOM 261 O LYS A 16 5.671 -13.019 -0.213 1.00 23.05 O ATOM 262 CB LYS A 16 3.338 -14.575 -1.881 1.00 13.13 C ATOM 263 CG LYS A 16 3.905 -14.864 -3.289 1.00 41.15 C ATOM 264 CD LYS A 16 3.657 -16.316 -3.769 1.00 72.41 C ATOM 265 CE LYS A 16 2.170 -16.691 -3.863 1.00 14.30 C ATOM 266 NZ LYS A 16 1.980 -18.062 -4.426 1.00 4.02 N ATOM 0 H LYS A 16 2.531 -12.580 -3.136 1.00 64.22 H new ATOM 0 HA LYS A 16 3.139 -13.032 -0.374 1.00 55.34 H new ATOM 0 HB2 LYS A 16 3.799 -15.262 -1.171 1.00 13.13 H new ATOM 0 HB3 LYS A 16 2.269 -14.790 -1.884 1.00 13.13 H new ATOM 0 HG2 LYS A 16 3.456 -14.172 -4.002 1.00 41.15 H new ATOM 0 HG3 LYS A 16 4.977 -14.668 -3.287 1.00 41.15 H new ATOM 0 HD2 LYS A 16 4.119 -16.449 -4.747 1.00 72.41 H new ATOM 0 HD3 LYS A 16 4.154 -17.005 -3.086 1.00 72.41 H new ATOM 0 HE2 LYS A 16 1.718 -16.639 -2.872 1.00 14.30 H new ATOM 0 HE3 LYS A 16 1.651 -15.965 -4.489 1.00 14.30 H new ATOM 0 HZ1 LYS A 16 0.964 -18.280 -4.474 1.00 4.02 H new ATOM 0 HZ2 LYS A 16 2.389 -18.105 -5.381 1.00 4.02 H new ATOM 0 HZ3 LYS A 16 2.454 -18.757 -3.815 1.00 4.02 H new ATOM 280 N LYS A 17 5.644 -12.226 -2.341 1.00 21.01 N ATOM 281 CA LYS A 17 7.079 -11.864 -2.393 1.00 43.02 C ATOM 282 C LYS A 17 7.386 -10.591 -1.575 1.00 14.44 C ATOM 283 O LYS A 17 8.432 -10.517 -0.915 1.00 21.23 O ATOM 284 CB LYS A 17 7.513 -11.715 -3.872 1.00 1.10 C ATOM 285 CG LYS A 17 7.466 -13.051 -4.653 1.00 71.44 C ATOM 286 CD LYS A 17 7.695 -12.883 -6.171 1.00 72.31 C ATOM 287 CE LYS A 17 9.071 -12.300 -6.509 1.00 5.13 C ATOM 288 NZ LYS A 17 9.354 -12.365 -7.968 1.00 64.14 N ATOM 0 H LYS A 17 5.137 -12.013 -3.200 1.00 21.01 H new ATOM 0 HA LYS A 17 7.658 -12.664 -1.932 1.00 43.02 H new ATOM 0 HB2 LYS A 17 6.865 -10.990 -4.364 1.00 1.10 H new ATOM 0 HB3 LYS A 17 8.526 -11.314 -3.909 1.00 1.10 H new ATOM 0 HG2 LYS A 17 8.223 -13.725 -4.251 1.00 71.44 H new ATOM 0 HG3 LYS A 17 6.498 -13.525 -4.489 1.00 71.44 H new ATOM 0 HD2 LYS A 17 7.588 -13.852 -6.658 1.00 72.31 H new ATOM 0 HD3 LYS A 17 6.921 -12.233 -6.580 1.00 72.31 H new ATOM 0 HE2 LYS A 17 9.119 -11.264 -6.175 1.00 5.13 H new ATOM 0 HE3 LYS A 17 9.841 -12.846 -5.964 1.00 5.13 H new ATOM 0 HZ1 LYS A 17 10.294 -11.961 -8.158 1.00 64.14 H new ATOM 0 HZ2 LYS A 17 9.333 -13.356 -8.282 1.00 64.14 H new ATOM 0 HZ3 LYS A 17 8.633 -11.823 -8.486 1.00 64.14 H new ATOM 302 N ILE A 18 6.459 -9.611 -1.616 1.00 11.33 N ATOM 303 CA ILE A 18 6.535 -8.386 -0.785 1.00 61.24 C ATOM 304 C ILE A 18 6.461 -8.750 0.710 1.00 23.22 C ATOM 305 O ILE A 18 7.183 -8.162 1.523 1.00 42.40 O ATOM 306 CB ILE A 18 5.404 -7.351 -1.183 1.00 50.30 C ATOM 307 CG1 ILE A 18 5.715 -6.736 -2.588 1.00 32.24 C ATOM 308 CG2 ILE A 18 5.203 -6.242 -0.117 1.00 44.22 C ATOM 309 CD1 ILE A 18 4.604 -5.883 -3.181 1.00 60.41 C ATOM 0 H ILE A 18 5.639 -9.644 -2.222 1.00 11.33 H new ATOM 0 HA ILE A 18 7.494 -7.903 -0.972 1.00 61.24 H new ATOM 0 HB ILE A 18 4.462 -7.897 -1.232 1.00 50.30 H new ATOM 0 HG12 ILE A 18 6.616 -6.128 -2.509 1.00 32.24 H new ATOM 0 HG13 ILE A 18 5.938 -7.547 -3.281 1.00 32.24 H new ATOM 0 HG21 ILE A 18 4.416 -5.562 -0.443 1.00 44.22 H new ATOM 0 HG22 ILE A 18 4.919 -6.697 0.832 1.00 44.22 H new ATOM 0 HG23 ILE A 18 6.132 -5.687 0.010 1.00 44.22 H new ATOM 0 HD11 ILE A 18 4.916 -5.504 -4.154 1.00 60.41 H new ATOM 0 HD12 ILE A 18 3.705 -6.488 -3.299 1.00 60.41 H new ATOM 0 HD13 ILE A 18 4.394 -5.046 -2.516 1.00 60.41 H new ATOM 321 N LYS A 19 5.612 -9.758 1.046 1.00 20.02 N ATOM 322 CA LYS A 19 5.511 -10.289 2.424 1.00 52.02 C ATOM 323 C LYS A 19 6.894 -10.712 2.957 1.00 14.31 C ATOM 324 O LYS A 19 7.287 -10.290 4.036 1.00 55.24 O ATOM 325 CB LYS A 19 4.534 -11.494 2.505 1.00 64.13 C ATOM 326 CG LYS A 19 3.078 -11.146 2.153 1.00 61.34 C ATOM 327 CD LYS A 19 2.110 -12.333 2.360 1.00 42.05 C ATOM 328 CE LYS A 19 0.644 -11.941 2.128 1.00 41.55 C ATOM 329 NZ LYS A 19 -0.287 -13.089 2.337 1.00 63.30 N ATOM 0 H LYS A 19 4.990 -10.216 0.379 1.00 20.02 H new ATOM 0 HA LYS A 19 5.119 -9.484 3.045 1.00 52.02 H new ATOM 0 HB2 LYS A 19 4.882 -12.277 1.831 1.00 64.13 H new ATOM 0 HB3 LYS A 19 4.564 -11.905 3.514 1.00 64.13 H new ATOM 0 HG2 LYS A 19 2.752 -10.306 2.767 1.00 61.34 H new ATOM 0 HG3 LYS A 19 3.028 -10.820 1.114 1.00 61.34 H new ATOM 0 HD2 LYS A 19 2.379 -13.141 1.679 1.00 42.05 H new ATOM 0 HD3 LYS A 19 2.224 -12.719 3.373 1.00 42.05 H new ATOM 0 HE2 LYS A 19 0.375 -11.130 2.805 1.00 41.55 H new ATOM 0 HE3 LYS A 19 0.528 -11.561 1.113 1.00 41.55 H new ATOM 0 HZ1 LYS A 19 -1.126 -12.765 2.858 1.00 63.30 H new ATOM 0 HZ2 LYS A 19 -0.578 -13.472 1.415 1.00 63.30 H new ATOM 0 HZ3 LYS A 19 0.194 -13.831 2.884 1.00 63.30 H new ATOM 343 N LYS A 20 7.641 -11.491 2.144 1.00 35.34 N ATOM 344 CA LYS A 20 8.950 -12.047 2.549 1.00 30.54 C ATOM 345 C LYS A 20 9.975 -10.913 2.780 1.00 35.11 C ATOM 346 O LYS A 20 10.637 -10.869 3.828 1.00 12.14 O ATOM 347 CB LYS A 20 9.475 -13.063 1.490 1.00 11.45 C ATOM 348 CG LYS A 20 8.516 -14.233 1.121 1.00 42.33 C ATOM 349 CD LYS A 20 8.160 -15.203 2.298 1.00 3.14 C ATOM 350 CE LYS A 20 6.928 -14.763 3.115 1.00 62.43 C ATOM 351 NZ LYS A 20 6.672 -15.650 4.286 1.00 42.22 N ATOM 0 H LYS A 20 7.357 -11.750 1.199 1.00 35.34 H new ATOM 0 HA LYS A 20 8.816 -12.582 3.489 1.00 30.54 H new ATOM 0 HB2 LYS A 20 9.712 -12.515 0.578 1.00 11.45 H new ATOM 0 HB3 LYS A 20 10.408 -13.489 1.858 1.00 11.45 H new ATOM 0 HG2 LYS A 20 7.591 -13.812 0.726 1.00 42.33 H new ATOM 0 HG3 LYS A 20 8.970 -14.814 0.318 1.00 42.33 H new ATOM 0 HD2 LYS A 20 7.980 -16.199 1.894 1.00 3.14 H new ATOM 0 HD3 LYS A 20 9.018 -15.280 2.965 1.00 3.14 H new ATOM 0 HE2 LYS A 20 7.073 -13.740 3.463 1.00 62.43 H new ATOM 0 HE3 LYS A 20 6.050 -14.758 2.469 1.00 62.43 H new ATOM 0 HZ1 LYS A 20 5.655 -15.860 4.347 1.00 42.22 H new ATOM 0 HZ2 LYS A 20 7.203 -16.537 4.172 1.00 42.22 H new ATOM 0 HZ3 LYS A 20 6.979 -15.172 5.157 1.00 42.22 H new ATOM 365 N GLU A 21 10.067 -10.001 1.778 1.00 24.22 N ATOM 366 CA GLU A 21 10.881 -8.754 1.840 1.00 53.23 C ATOM 367 C GLU A 21 10.724 -8.006 3.186 1.00 11.41 C ATOM 368 O GLU A 21 11.715 -7.686 3.849 1.00 12.53 O ATOM 369 CB GLU A 21 10.487 -7.794 0.673 1.00 53.24 C ATOM 370 CG GLU A 21 10.867 -8.287 -0.742 1.00 40.42 C ATOM 371 CD GLU A 21 12.387 -8.300 -0.991 1.00 32.12 C ATOM 372 OE1 GLU A 21 12.954 -7.238 -1.327 1.00 14.44 O ATOM 373 OE2 GLU A 21 13.030 -9.357 -0.838 1.00 45.13 O ATOM 0 H GLU A 21 9.573 -10.110 0.892 1.00 24.22 H new ATOM 0 HA GLU A 21 11.924 -9.057 1.746 1.00 53.23 H new ATOM 0 HB2 GLU A 21 9.410 -7.631 0.706 1.00 53.24 H new ATOM 0 HB3 GLU A 21 10.961 -6.827 0.843 1.00 53.24 H new ATOM 0 HG2 GLU A 21 10.473 -9.293 -0.888 1.00 40.42 H new ATOM 0 HG3 GLU A 21 10.389 -7.647 -1.484 1.00 40.42 H new ATOM 380 N VAL A 22 9.465 -7.767 3.585 1.00 53.30 N ATOM 381 CA VAL A 22 9.143 -6.872 4.716 1.00 74.54 C ATOM 382 C VAL A 22 9.120 -7.602 6.076 1.00 54.22 C ATOM 383 O VAL A 22 9.281 -6.961 7.114 1.00 2.12 O ATOM 384 CB VAL A 22 7.803 -6.104 4.442 1.00 55.33 C ATOM 385 CG1 VAL A 22 7.872 -5.410 3.064 1.00 14.21 C ATOM 386 CG2 VAL A 22 6.565 -7.015 4.546 1.00 75.45 C ATOM 0 H VAL A 22 8.646 -8.182 3.140 1.00 53.30 H new ATOM 0 HA VAL A 22 9.950 -6.143 4.789 1.00 74.54 H new ATOM 0 HB VAL A 22 7.689 -5.349 5.219 1.00 55.33 H new ATOM 0 HG11 VAL A 22 6.939 -4.878 2.878 1.00 14.21 H new ATOM 0 HG12 VAL A 22 8.702 -4.703 3.054 1.00 14.21 H new ATOM 0 HG13 VAL A 22 8.024 -6.159 2.287 1.00 14.21 H new ATOM 0 HG21 VAL A 22 5.666 -6.431 4.347 1.00 75.45 H new ATOM 0 HG22 VAL A 22 6.644 -7.820 3.816 1.00 75.45 H new ATOM 0 HG23 VAL A 22 6.508 -7.439 5.549 1.00 75.45 H new ATOM 396 N GLU A 23 8.933 -8.941 6.065 1.00 71.42 N ATOM 397 CA GLU A 23 9.102 -9.784 7.281 1.00 13.53 C ATOM 398 C GLU A 23 10.570 -9.731 7.759 1.00 12.04 C ATOM 399 O GLU A 23 10.851 -9.716 8.963 1.00 55.14 O ATOM 400 CB GLU A 23 8.687 -11.257 7.004 1.00 21.41 C ATOM 401 CG GLU A 23 7.163 -11.506 6.882 1.00 10.03 C ATOM 402 CD GLU A 23 6.793 -12.909 6.352 1.00 24.35 C ATOM 403 OE1 GLU A 23 7.619 -13.850 6.459 1.00 12.53 O ATOM 404 OE2 GLU A 23 5.668 -13.080 5.822 1.00 3.30 O ATOM 0 H GLU A 23 8.665 -9.465 5.232 1.00 71.42 H new ATOM 0 HA GLU A 23 8.452 -9.389 8.062 1.00 13.53 H new ATOM 0 HB2 GLU A 23 9.166 -11.584 6.082 1.00 21.41 H new ATOM 0 HB3 GLU A 23 9.077 -11.884 7.806 1.00 21.41 H new ATOM 0 HG2 GLU A 23 6.704 -11.366 7.861 1.00 10.03 H new ATOM 0 HG3 GLU A 23 6.735 -10.754 6.219 1.00 10.03 H new ATOM 411 N ASN A 24 11.491 -9.659 6.776 1.00 73.04 N ATOM 412 CA ASN A 24 12.947 -9.532 7.013 1.00 33.42 C ATOM 413 C ASN A 24 13.312 -8.138 7.584 1.00 3.34 C ATOM 414 O ASN A 24 14.429 -7.929 8.068 1.00 54.13 O ATOM 415 CB ASN A 24 13.722 -9.775 5.685 1.00 53.20 C ATOM 416 CG ASN A 24 13.519 -11.179 5.099 1.00 52.32 C ATOM 417 OD1 ASN A 24 13.313 -12.159 5.824 1.00 71.35 O ATOM 418 ND2 ASN A 24 13.570 -11.286 3.779 1.00 51.05 N ATOM 0 H ASN A 24 11.245 -9.687 5.787 1.00 73.04 H new ATOM 0 HA ASN A 24 13.233 -10.283 7.750 1.00 33.42 H new ATOM 0 HB2 ASN A 24 13.406 -9.035 4.950 1.00 53.20 H new ATOM 0 HB3 ASN A 24 14.786 -9.615 5.861 1.00 53.20 H new ATOM 0 HD21 ASN A 24 13.438 -12.195 3.336 1.00 51.05 H new ATOM 0 HD22 ASN A 24 13.742 -10.459 3.207 1.00 51.05 H new ATOM 425 N GLN A 25 12.360 -7.193 7.493 1.00 2.33 N ATOM 426 CA GLN A 25 12.539 -5.787 7.918 1.00 64.23 C ATOM 427 C GLN A 25 11.699 -5.455 9.173 1.00 13.40 C ATOM 428 O GLN A 25 11.687 -4.305 9.622 1.00 74.24 O ATOM 429 CB GLN A 25 12.139 -4.866 6.731 1.00 73.21 C ATOM 430 CG GLN A 25 12.954 -5.102 5.441 1.00 4.33 C ATOM 431 CD GLN A 25 14.390 -4.594 5.524 1.00 51.35 C ATOM 432 OE1 GLN A 25 14.679 -3.457 5.150 1.00 11.52 O ATOM 433 NE2 GLN A 25 15.297 -5.412 6.034 1.00 2.32 N ATOM 0 H GLN A 25 11.431 -7.383 7.118 1.00 2.33 H new ATOM 0 HA GLN A 25 13.582 -5.625 8.189 1.00 64.23 H new ATOM 0 HB2 GLN A 25 11.082 -5.015 6.511 1.00 73.21 H new ATOM 0 HB3 GLN A 25 12.258 -3.827 7.037 1.00 73.21 H new ATOM 0 HG2 GLN A 25 12.967 -6.169 5.220 1.00 4.33 H new ATOM 0 HG3 GLN A 25 12.451 -4.610 4.608 1.00 4.33 H new ATOM 0 HE21 GLN A 25 15.027 -6.348 6.335 1.00 2.32 H new ATOM 0 HE22 GLN A 25 16.266 -5.106 6.126 1.00 2.32 H new ATOM 442 N GLY A 26 11.027 -6.475 9.745 1.00 51.24 N ATOM 443 CA GLY A 26 10.155 -6.296 10.918 1.00 22.43 C ATOM 444 C GLY A 26 8.940 -5.397 10.676 1.00 63.42 C ATOM 445 O GLY A 26 8.597 -4.569 11.529 1.00 2.24 O ATOM 0 H GLY A 26 11.074 -7.437 9.409 1.00 51.24 H new ATOM 0 HA2 GLY A 26 9.807 -7.275 11.248 1.00 22.43 H new ATOM 0 HA3 GLY A 26 10.745 -5.876 11.733 1.00 22.43 H new ATOM 449 N TYR A 27 8.309 -5.544 9.496 1.00 44.51 N ATOM 450 CA TYR A 27 7.043 -4.865 9.147 1.00 2.14 C ATOM 451 C TYR A 27 5.873 -5.844 9.333 1.00 22.41 C ATOM 452 O TYR A 27 5.936 -6.992 8.873 1.00 0.12 O ATOM 453 CB TYR A 27 7.084 -4.310 7.687 1.00 34.35 C ATOM 454 CG TYR A 27 7.856 -2.988 7.537 1.00 22.22 C ATOM 455 CD1 TYR A 27 9.180 -2.871 7.963 1.00 72.43 C ATOM 456 CD2 TYR A 27 7.246 -1.843 7.007 1.00 32.53 C ATOM 457 CE1 TYR A 27 9.866 -1.679 7.869 1.00 50.31 C ATOM 458 CE2 TYR A 27 7.930 -0.644 6.918 1.00 0.44 C ATOM 459 CZ TYR A 27 9.240 -0.570 7.352 1.00 12.11 C ATOM 460 OH TYR A 27 9.921 0.623 7.276 1.00 43.12 O ATOM 0 H TYR A 27 8.665 -6.142 8.750 1.00 44.51 H new ATOM 0 HA TYR A 27 6.903 -4.012 9.811 1.00 2.14 H new ATOM 0 HB2 TYR A 27 7.538 -5.059 7.038 1.00 34.35 H new ATOM 0 HB3 TYR A 27 6.062 -4.163 7.337 1.00 34.35 H new ATOM 0 HD1 TYR A 27 9.679 -3.735 8.376 1.00 72.43 H new ATOM 0 HD2 TYR A 27 6.224 -1.898 6.662 1.00 32.53 H new ATOM 0 HE1 TYR A 27 10.892 -1.617 8.201 1.00 50.31 H new ATOM 0 HE2 TYR A 27 7.443 0.230 6.511 1.00 0.44 H new ATOM 0 HH TYR A 27 10.846 0.455 7.000 1.00 43.12 H new ATOM 470 N GLN A 28 4.825 -5.367 10.023 1.00 1.32 N ATOM 471 CA GLN A 28 3.643 -6.158 10.384 1.00 43.41 C ATOM 472 C GLN A 28 2.735 -6.292 9.146 1.00 54.25 C ATOM 473 O GLN A 28 2.077 -5.327 8.741 1.00 30.15 O ATOM 474 CB GLN A 28 2.878 -5.487 11.568 1.00 50.52 C ATOM 475 CG GLN A 28 3.642 -5.398 12.919 1.00 23.55 C ATOM 476 CD GLN A 28 4.885 -4.497 12.901 1.00 5.23 C ATOM 477 OE1 GLN A 28 4.809 -3.289 13.113 1.00 22.53 O ATOM 478 NE2 GLN A 28 6.048 -5.084 12.685 1.00 25.32 N ATOM 0 H GLN A 28 4.777 -4.402 10.351 1.00 1.32 H new ATOM 0 HA GLN A 28 3.951 -7.151 10.712 1.00 43.41 H new ATOM 0 HB2 GLN A 28 2.598 -4.478 11.266 1.00 50.52 H new ATOM 0 HB3 GLN A 28 1.953 -6.039 11.734 1.00 50.52 H new ATOM 0 HG2 GLN A 28 2.957 -5.032 13.684 1.00 23.55 H new ATOM 0 HG3 GLN A 28 3.944 -6.402 13.216 1.00 23.55 H new ATOM 0 HE21 GLN A 28 6.088 -6.088 12.511 1.00 25.32 H new ATOM 0 HE22 GLN A 28 6.906 -4.533 12.692 1.00 25.32 H new ATOM 487 N VAL A 29 2.732 -7.496 8.547 1.00 24.51 N ATOM 488 CA VAL A 29 2.087 -7.757 7.242 1.00 13.14 C ATOM 489 C VAL A 29 0.568 -7.995 7.392 1.00 63.03 C ATOM 490 O VAL A 29 0.136 -8.764 8.257 1.00 32.12 O ATOM 491 CB VAL A 29 2.724 -9.010 6.519 1.00 72.54 C ATOM 492 CG1 VAL A 29 2.198 -9.151 5.069 1.00 75.21 C ATOM 493 CG2 VAL A 29 4.267 -8.957 6.544 1.00 35.21 C ATOM 0 H VAL A 29 3.177 -8.319 8.953 1.00 24.51 H new ATOM 0 HA VAL A 29 2.254 -6.865 6.638 1.00 13.14 H new ATOM 0 HB VAL A 29 2.415 -9.895 7.075 1.00 72.54 H new ATOM 0 HG11 VAL A 29 2.655 -10.022 4.599 1.00 75.21 H new ATOM 0 HG12 VAL A 29 1.115 -9.274 5.085 1.00 75.21 H new ATOM 0 HG13 VAL A 29 2.453 -8.257 4.501 1.00 75.21 H new ATOM 0 HG21 VAL A 29 4.669 -9.834 6.038 1.00 35.21 H new ATOM 0 HG22 VAL A 29 4.608 -8.056 6.035 1.00 35.21 H new ATOM 0 HG23 VAL A 29 4.614 -8.943 7.577 1.00 35.21 H new ATOM 503 N ARG A 30 -0.223 -7.307 6.555 1.00 30.13 N ATOM 504 CA ARG A 30 -1.654 -7.604 6.326 1.00 43.51 C ATOM 505 C ARG A 30 -1.912 -7.780 4.826 1.00 12.42 C ATOM 506 O ARG A 30 -1.158 -7.271 3.984 1.00 45.43 O ATOM 507 CB ARG A 30 -2.585 -6.472 6.854 1.00 51.11 C ATOM 508 CG ARG A 30 -2.641 -6.339 8.387 1.00 0.34 C ATOM 509 CD ARG A 30 -3.682 -5.306 8.849 1.00 75.33 C ATOM 510 NE ARG A 30 -3.657 -5.094 10.305 1.00 64.22 N ATOM 511 CZ ARG A 30 -4.204 -4.041 10.927 1.00 12.30 C ATOM 512 NH1 ARG A 30 -4.817 -3.079 10.233 1.00 31.44 N ATOM 513 NH2 ARG A 30 -4.138 -3.959 12.248 1.00 33.22 N ATOM 0 H ARG A 30 0.114 -6.515 6.007 1.00 30.13 H new ATOM 0 HA ARG A 30 -1.881 -8.519 6.873 1.00 43.51 H new ATOM 0 HB2 ARG A 30 -2.252 -5.523 6.434 1.00 51.11 H new ATOM 0 HB3 ARG A 30 -3.594 -6.649 6.482 1.00 51.11 H new ATOM 0 HG2 ARG A 30 -2.877 -7.309 8.825 1.00 0.34 H new ATOM 0 HG3 ARG A 30 -1.658 -6.052 8.760 1.00 0.34 H new ATOM 0 HD2 ARG A 30 -3.498 -4.358 8.344 1.00 75.33 H new ATOM 0 HD3 ARG A 30 -4.676 -5.638 8.550 1.00 75.33 H new ATOM 0 HE ARG A 30 -3.192 -5.796 10.880 1.00 64.22 H new ATOM 0 HH11 ARG A 30 -4.873 -3.140 9.216 1.00 31.44 H new ATOM 0 HH12 ARG A 30 -5.229 -2.283 10.719 1.00 31.44 H new ATOM 0 HH21 ARG A 30 -3.674 -4.694 12.782 1.00 33.22 H new ATOM 0 HH22 ARG A 30 -4.551 -3.161 12.731 1.00 33.22 H new ATOM 527 N ASP A 31 -2.983 -8.516 4.516 1.00 74.44 N ATOM 528 CA ASP A 31 -3.570 -8.578 3.173 1.00 4.52 C ATOM 529 C ASP A 31 -5.105 -8.606 3.320 1.00 14.42 C ATOM 530 O ASP A 31 -5.655 -9.436 4.046 1.00 13.31 O ATOM 531 CB ASP A 31 -3.027 -9.790 2.351 1.00 52.02 C ATOM 532 CG ASP A 31 -3.281 -11.169 2.995 1.00 51.11 C ATOM 533 OD1 ASP A 31 -2.444 -11.633 3.795 1.00 60.50 O ATOM 534 OD2 ASP A 31 -4.303 -11.814 2.683 1.00 70.21 O ATOM 0 H ASP A 31 -3.474 -9.093 5.199 1.00 74.44 H new ATOM 0 HA ASP A 31 -3.279 -7.695 2.604 1.00 4.52 H new ATOM 0 HB2 ASP A 31 -3.485 -9.776 1.362 1.00 52.02 H new ATOM 0 HB3 ASP A 31 -1.954 -9.663 2.207 1.00 52.02 H new ATOM 539 N VAL A 32 -5.781 -7.658 2.646 1.00 15.35 N ATOM 540 CA VAL A 32 -7.242 -7.488 2.709 1.00 42.42 C ATOM 541 C VAL A 32 -7.851 -8.035 1.421 1.00 54.02 C ATOM 542 O VAL A 32 -7.591 -7.506 0.332 1.00 1.30 O ATOM 543 CB VAL A 32 -7.646 -5.972 2.870 1.00 75.31 C ATOM 544 CG1 VAL A 32 -9.182 -5.798 2.940 1.00 5.21 C ATOM 545 CG2 VAL A 32 -6.960 -5.355 4.101 1.00 54.22 C ATOM 0 H VAL A 32 -5.322 -6.982 2.036 1.00 15.35 H new ATOM 0 HA VAL A 32 -7.616 -8.028 3.579 1.00 42.42 H new ATOM 0 HB VAL A 32 -7.300 -5.439 1.985 1.00 75.31 H new ATOM 0 HG11 VAL A 32 -9.424 -4.741 3.051 1.00 5.21 H new ATOM 0 HG12 VAL A 32 -9.633 -6.179 2.024 1.00 5.21 H new ATOM 0 HG13 VAL A 32 -9.572 -6.351 3.794 1.00 5.21 H new ATOM 0 HG21 VAL A 32 -7.252 -4.309 4.194 1.00 54.22 H new ATOM 0 HG22 VAL A 32 -7.263 -5.897 4.997 1.00 54.22 H new ATOM 0 HG23 VAL A 32 -5.878 -5.421 3.986 1.00 54.22 H new ATOM 555 N ASN A 33 -8.646 -9.099 1.549 1.00 71.11 N ATOM 556 CA ASN A 33 -9.381 -9.700 0.424 1.00 45.43 C ATOM 557 C ASN A 33 -10.879 -9.357 0.501 1.00 62.32 C ATOM 558 O ASN A 33 -11.620 -9.638 -0.451 1.00 52.44 O ATOM 559 CB ASN A 33 -9.171 -11.240 0.407 1.00 43.23 C ATOM 560 CG ASN A 33 -9.670 -11.943 1.676 1.00 14.22 C ATOM 561 OD1 ASN A 33 -10.824 -12.371 1.756 1.00 51.44 O ATOM 562 ND2 ASN A 33 -8.811 -12.064 2.680 1.00 71.52 N ATOM 0 H ASN A 33 -8.802 -9.573 2.438 1.00 71.11 H new ATOM 0 HA ASN A 33 -8.989 -9.284 -0.504 1.00 45.43 H new ATOM 0 HB2 ASN A 33 -9.687 -11.659 -0.457 1.00 43.23 H new ATOM 0 HB3 ASN A 33 -8.110 -11.452 0.278 1.00 43.23 H new ATOM 0 HD21 ASN A 33 -9.099 -12.520 3.546 1.00 71.52 H new ATOM 0 HD22 ASN A 33 -7.863 -11.701 2.586 1.00 71.52 H new ATOM 569 N ASP A 34 -11.334 -8.750 1.627 1.00 73.31 N ATOM 570 CA ASP A 34 -12.769 -8.442 1.826 1.00 34.04 C ATOM 571 C ASP A 34 -12.969 -7.133 2.621 1.00 70.05 C ATOM 572 O ASP A 34 -12.190 -6.806 3.533 1.00 0.10 O ATOM 573 CB ASP A 34 -13.475 -9.632 2.547 1.00 13.00 C ATOM 574 CG ASP A 34 -15.003 -9.624 2.349 1.00 42.32 C ATOM 575 OD1 ASP A 34 -15.482 -10.192 1.337 1.00 44.34 O ATOM 576 OD2 ASP A 34 -15.734 -9.035 3.177 1.00 23.21 O ATOM 0 H ASP A 34 -10.733 -8.468 2.402 1.00 73.31 H new ATOM 0 HA ASP A 34 -13.220 -8.298 0.844 1.00 34.04 H new ATOM 0 HB2 ASP A 34 -13.069 -10.571 2.172 1.00 13.00 H new ATOM 0 HB3 ASP A 34 -13.250 -9.591 3.613 1.00 13.00 H new ATOM 581 N SER A 35 -14.054 -6.410 2.269 1.00 42.51 N ATOM 582 CA SER A 35 -14.450 -5.132 2.894 1.00 43.35 C ATOM 583 C SER A 35 -14.679 -5.257 4.415 1.00 61.41 C ATOM 584 O SER A 35 -14.460 -4.295 5.150 1.00 24.11 O ATOM 585 CB SER A 35 -15.728 -4.600 2.210 1.00 15.34 C ATOM 586 OG SER A 35 -15.580 -4.566 0.796 1.00 54.42 O ATOM 0 H SER A 35 -14.690 -6.705 1.528 1.00 42.51 H new ATOM 0 HA SER A 35 -13.626 -4.432 2.755 1.00 43.35 H new ATOM 0 HB2 SER A 35 -16.575 -5.233 2.474 1.00 15.34 H new ATOM 0 HB3 SER A 35 -15.951 -3.599 2.579 1.00 15.34 H new ATOM 0 HG SER A 35 -16.404 -4.227 0.389 1.00 54.42 H new ATOM 592 N ASP A 36 -15.122 -6.452 4.863 1.00 50.11 N ATOM 593 CA ASP A 36 -15.337 -6.754 6.293 1.00 0.25 C ATOM 594 C ASP A 36 -14.035 -6.556 7.100 1.00 42.34 C ATOM 595 O ASP A 36 -14.033 -5.902 8.151 1.00 23.21 O ATOM 596 CB ASP A 36 -15.856 -8.205 6.450 1.00 74.13 C ATOM 597 CG ASP A 36 -15.974 -8.657 7.917 1.00 72.40 C ATOM 598 OD1 ASP A 36 -16.916 -8.213 8.614 1.00 65.34 O ATOM 599 OD2 ASP A 36 -15.117 -9.443 8.386 1.00 14.33 O ATOM 0 H ASP A 36 -15.340 -7.233 4.244 1.00 50.11 H new ATOM 0 HA ASP A 36 -16.083 -6.064 6.686 1.00 0.25 H new ATOM 0 HB2 ASP A 36 -16.832 -8.287 5.973 1.00 74.13 H new ATOM 0 HB3 ASP A 36 -15.185 -8.882 5.922 1.00 74.13 H new ATOM 604 N GLU A 37 -12.929 -7.083 6.547 1.00 34.40 N ATOM 605 CA GLU A 37 -11.593 -7.028 7.174 1.00 45.54 C ATOM 606 C GLU A 37 -11.084 -5.580 7.164 1.00 11.52 C ATOM 607 O GLU A 37 -10.584 -5.085 8.172 1.00 0.44 O ATOM 608 CB GLU A 37 -10.614 -7.955 6.407 1.00 61.34 C ATOM 609 CG GLU A 37 -11.140 -9.396 6.200 1.00 72.22 C ATOM 610 CD GLU A 37 -10.241 -10.224 5.274 1.00 64.34 C ATOM 611 OE1 GLU A 37 -9.978 -9.758 4.145 1.00 12.35 O ATOM 612 OE2 GLU A 37 -9.811 -11.344 5.656 1.00 14.25 O ATOM 0 H GLU A 37 -12.935 -7.563 5.647 1.00 34.40 H new ATOM 0 HA GLU A 37 -11.658 -7.372 8.206 1.00 45.54 H new ATOM 0 HB2 GLU A 37 -10.401 -7.514 5.433 1.00 61.34 H new ATOM 0 HB3 GLU A 37 -9.670 -7.999 6.951 1.00 61.34 H new ATOM 0 HG2 GLU A 37 -11.216 -9.894 7.167 1.00 72.22 H new ATOM 0 HG3 GLU A 37 -12.146 -9.355 5.783 1.00 72.22 H new ATOM 619 N LEU A 38 -11.310 -4.908 6.019 1.00 11.00 N ATOM 620 CA LEU A 38 -10.916 -3.504 5.763 1.00 10.11 C ATOM 621 C LEU A 38 -11.480 -2.526 6.819 1.00 54.22 C ATOM 622 O LEU A 38 -10.734 -1.716 7.397 1.00 35.45 O ATOM 623 CB LEU A 38 -11.414 -3.150 4.325 1.00 1.01 C ATOM 624 CG LEU A 38 -11.321 -1.657 3.829 1.00 51.51 C ATOM 625 CD1 LEU A 38 -11.026 -1.609 2.325 1.00 72.42 C ATOM 626 CD2 LEU A 38 -12.615 -0.851 4.119 1.00 75.34 C ATOM 0 H LEU A 38 -11.784 -5.336 5.224 1.00 11.00 H new ATOM 0 HA LEU A 38 -9.833 -3.402 5.836 1.00 10.11 H new ATOM 0 HB2 LEU A 38 -10.853 -3.766 3.622 1.00 1.01 H new ATOM 0 HB3 LEU A 38 -12.458 -3.456 4.254 1.00 1.01 H new ATOM 0 HG LEU A 38 -10.506 -1.195 4.387 1.00 51.51 H new ATOM 0 HD11 LEU A 38 -10.965 -0.571 1.999 1.00 72.42 H new ATOM 0 HD12 LEU A 38 -10.078 -2.109 2.124 1.00 72.42 H new ATOM 0 HD13 LEU A 38 -11.825 -2.114 1.781 1.00 72.42 H new ATOM 0 HD21 LEU A 38 -12.496 0.170 3.757 1.00 75.34 H new ATOM 0 HD22 LEU A 38 -13.458 -1.320 3.611 1.00 75.34 H new ATOM 0 HD23 LEU A 38 -12.801 -0.836 5.193 1.00 75.34 H new ATOM 638 N LYS A 39 -12.796 -2.629 7.059 1.00 35.11 N ATOM 639 CA LYS A 39 -13.539 -1.704 7.941 1.00 74.43 C ATOM 640 C LYS A 39 -13.160 -1.908 9.417 1.00 71.12 C ATOM 641 O LYS A 39 -13.157 -0.949 10.198 1.00 64.41 O ATOM 642 CB LYS A 39 -15.058 -1.907 7.729 1.00 71.30 C ATOM 643 CG LYS A 39 -15.545 -1.533 6.307 1.00 64.31 C ATOM 644 CD LYS A 39 -16.994 -1.990 6.030 1.00 23.23 C ATOM 645 CE LYS A 39 -18.016 -1.395 7.011 1.00 21.30 C ATOM 646 NZ LYS A 39 -19.392 -1.896 6.745 1.00 52.34 N ATOM 0 H LYS A 39 -13.380 -3.357 6.648 1.00 35.11 H new ATOM 0 HA LYS A 39 -13.271 -0.680 7.680 1.00 74.43 H new ATOM 0 HB2 LYS A 39 -15.307 -2.950 7.926 1.00 71.30 H new ATOM 0 HB3 LYS A 39 -15.601 -1.306 8.459 1.00 71.30 H new ATOM 0 HG2 LYS A 39 -15.479 -0.453 6.178 1.00 64.31 H new ATOM 0 HG3 LYS A 39 -14.880 -1.983 5.570 1.00 64.31 H new ATOM 0 HD2 LYS A 39 -17.269 -1.707 5.014 1.00 23.23 H new ATOM 0 HD3 LYS A 39 -17.041 -3.078 6.082 1.00 23.23 H new ATOM 0 HE2 LYS A 39 -17.729 -1.646 8.032 1.00 21.30 H new ATOM 0 HE3 LYS A 39 -18.004 -0.308 6.934 1.00 21.30 H new ATOM 0 HZ1 LYS A 39 -20.053 -1.473 7.427 1.00 52.34 H new ATOM 0 HZ2 LYS A 39 -19.676 -1.635 5.779 1.00 52.34 H new ATOM 0 HZ3 LYS A 39 -19.410 -2.931 6.843 1.00 52.34 H new ATOM 660 N LYS A 40 -12.854 -3.168 9.777 1.00 44.45 N ATOM 661 CA LYS A 40 -12.429 -3.538 11.136 1.00 14.44 C ATOM 662 C LYS A 40 -11.033 -2.986 11.428 1.00 4.41 C ATOM 663 O LYS A 40 -10.854 -2.202 12.368 1.00 1.23 O ATOM 664 CB LYS A 40 -12.440 -5.090 11.314 1.00 75.24 C ATOM 665 CG LYS A 40 -13.842 -5.737 11.318 1.00 23.05 C ATOM 666 CD LYS A 40 -14.736 -5.324 12.509 1.00 71.02 C ATOM 667 CE LYS A 40 -14.178 -5.782 13.863 1.00 14.50 C ATOM 668 NZ LYS A 40 -15.120 -5.470 14.969 1.00 23.20 N ATOM 0 H LYS A 40 -12.895 -3.957 9.132 1.00 44.45 H new ATOM 0 HA LYS A 40 -13.134 -3.102 11.844 1.00 14.44 H new ATOM 0 HB2 LYS A 40 -11.853 -5.537 10.512 1.00 75.24 H new ATOM 0 HB3 LYS A 40 -11.940 -5.337 12.251 1.00 75.24 H new ATOM 0 HG2 LYS A 40 -14.351 -5.476 10.390 1.00 23.05 H new ATOM 0 HG3 LYS A 40 -13.728 -6.821 11.325 1.00 23.05 H new ATOM 0 HD2 LYS A 40 -14.846 -4.240 12.515 1.00 71.02 H new ATOM 0 HD3 LYS A 40 -15.732 -5.744 12.372 1.00 71.02 H new ATOM 0 HE2 LYS A 40 -13.988 -6.855 13.836 1.00 14.50 H new ATOM 0 HE3 LYS A 40 -13.221 -5.293 14.049 1.00 14.50 H new ATOM 0 HZ1 LYS A 40 -14.715 -5.792 15.871 1.00 23.20 H new ATOM 0 HZ2 LYS A 40 -15.281 -4.443 15.008 1.00 23.20 H new ATOM 0 HZ3 LYS A 40 -16.024 -5.956 14.803 1.00 23.20 H new ATOM 682 N GLU A 41 -10.078 -3.336 10.554 1.00 73.24 N ATOM 683 CA GLU A 41 -8.647 -3.239 10.856 1.00 11.11 C ATOM 684 C GLU A 41 -8.150 -1.790 10.972 1.00 11.03 C ATOM 685 O GLU A 41 -7.205 -1.520 11.719 1.00 71.42 O ATOM 686 CB GLU A 41 -7.832 -3.998 9.800 1.00 13.22 C ATOM 687 CG GLU A 41 -7.882 -3.406 8.374 1.00 12.12 C ATOM 688 CD GLU A 41 -6.855 -4.042 7.436 1.00 3.24 C ATOM 689 OE1 GLU A 41 -6.812 -5.294 7.358 1.00 75.53 O ATOM 690 OE2 GLU A 41 -6.076 -3.302 6.795 1.00 21.13 O ATOM 0 H GLU A 41 -10.278 -3.693 9.620 1.00 73.24 H new ATOM 0 HA GLU A 41 -8.501 -3.696 11.835 1.00 11.11 H new ATOM 0 HB2 GLU A 41 -6.792 -4.033 10.124 1.00 13.22 H new ATOM 0 HB3 GLU A 41 -8.189 -5.027 9.761 1.00 13.22 H new ATOM 0 HG2 GLU A 41 -8.881 -3.546 7.961 1.00 12.12 H new ATOM 0 HG3 GLU A 41 -7.706 -2.332 8.424 1.00 12.12 H new ATOM 697 N MET A 42 -8.784 -0.876 10.215 1.00 75.23 N ATOM 698 CA MET A 42 -8.455 0.564 10.241 1.00 10.50 C ATOM 699 C MET A 42 -8.861 1.210 11.578 1.00 42.25 C ATOM 700 O MET A 42 -8.131 2.052 12.114 1.00 51.43 O ATOM 701 CB MET A 42 -9.091 1.303 9.021 1.00 1.35 C ATOM 702 CG MET A 42 -8.220 1.234 7.759 1.00 13.22 C ATOM 703 SD MET A 42 -6.631 2.055 8.038 1.00 14.10 S ATOM 704 CE MET A 42 -5.708 1.601 6.582 1.00 54.02 C ATOM 0 H MET A 42 -9.537 -1.112 9.569 1.00 75.23 H new ATOM 0 HA MET A 42 -7.373 0.663 10.157 1.00 10.50 H new ATOM 0 HB2 MET A 42 -10.067 0.867 8.807 1.00 1.35 H new ATOM 0 HB3 MET A 42 -9.259 2.348 9.283 1.00 1.35 H new ATOM 0 HG2 MET A 42 -8.054 0.193 7.481 1.00 13.22 H new ATOM 0 HG3 MET A 42 -8.739 1.708 6.926 1.00 13.22 H new ATOM 0 HE1 MET A 42 -4.701 2.013 6.647 1.00 54.02 H new ATOM 0 HE2 MET A 42 -5.652 0.515 6.511 1.00 54.02 H new ATOM 0 HE3 MET A 42 -6.206 1.998 5.697 1.00 54.02 H new ATOM 714 N LYS A 43 -10.012 0.781 12.123 1.00 43.34 N ATOM 715 CA LYS A 43 -10.479 1.236 13.449 1.00 64.12 C ATOM 716 C LYS A 43 -9.594 0.636 14.552 1.00 45.03 C ATOM 717 O LYS A 43 -9.354 1.271 15.582 1.00 13.14 O ATOM 718 CB LYS A 43 -11.955 0.843 13.678 1.00 40.13 C ATOM 719 CG LYS A 43 -12.930 1.437 12.643 1.00 73.43 C ATOM 720 CD LYS A 43 -14.400 1.052 12.923 1.00 0.35 C ATOM 721 CE LYS A 43 -15.372 1.660 11.904 1.00 31.22 C ATOM 722 NZ LYS A 43 -16.775 1.244 12.165 1.00 5.11 N ATOM 0 H LYS A 43 -10.639 0.118 11.667 1.00 43.34 H new ATOM 0 HA LYS A 43 -10.407 2.323 13.484 1.00 64.12 H new ATOM 0 HB2 LYS A 43 -12.038 -0.244 13.658 1.00 40.13 H new ATOM 0 HB3 LYS A 43 -12.256 1.168 14.674 1.00 40.13 H new ATOM 0 HG2 LYS A 43 -12.836 2.523 12.642 1.00 73.43 H new ATOM 0 HG3 LYS A 43 -12.651 1.093 11.647 1.00 73.43 H new ATOM 0 HD2 LYS A 43 -14.497 -0.034 12.909 1.00 0.35 H new ATOM 0 HD3 LYS A 43 -14.674 1.384 13.924 1.00 0.35 H new ATOM 0 HE2 LYS A 43 -15.303 2.747 11.939 1.00 31.22 H new ATOM 0 HE3 LYS A 43 -15.083 1.354 10.898 1.00 31.22 H new ATOM 0 HZ1 LYS A 43 -17.402 1.675 11.456 1.00 5.11 H new ATOM 0 HZ2 LYS A 43 -16.846 0.208 12.107 1.00 5.11 H new ATOM 0 HZ3 LYS A 43 -17.059 1.558 13.115 1.00 5.11 H new ATOM 736 N LYS A 44 -9.106 -0.597 14.308 1.00 41.14 N ATOM 737 CA LYS A 44 -8.178 -1.285 15.218 1.00 33.21 C ATOM 738 C LYS A 44 -6.841 -0.529 15.300 1.00 51.45 C ATOM 739 O LYS A 44 -6.269 -0.459 16.366 1.00 33.12 O ATOM 740 CB LYS A 44 -7.932 -2.757 14.775 1.00 21.12 C ATOM 741 CG LYS A 44 -9.206 -3.635 14.673 1.00 31.24 C ATOM 742 CD LYS A 44 -10.004 -3.742 15.989 1.00 14.24 C ATOM 743 CE LYS A 44 -9.223 -4.426 17.125 1.00 52.23 C ATOM 744 NZ LYS A 44 -8.874 -5.833 16.804 1.00 31.31 N ATOM 0 H LYS A 44 -9.345 -1.139 13.478 1.00 41.14 H new ATOM 0 HA LYS A 44 -8.638 -1.301 16.206 1.00 33.21 H new ATOM 0 HB2 LYS A 44 -7.436 -2.750 13.804 1.00 21.12 H new ATOM 0 HB3 LYS A 44 -7.244 -3.222 15.481 1.00 21.12 H new ATOM 0 HG2 LYS A 44 -9.855 -3.226 13.899 1.00 31.24 H new ATOM 0 HG3 LYS A 44 -8.919 -4.636 14.352 1.00 31.24 H new ATOM 0 HD2 LYS A 44 -10.296 -2.742 16.310 1.00 14.24 H new ATOM 0 HD3 LYS A 44 -10.923 -4.299 15.804 1.00 14.24 H new ATOM 0 HE2 LYS A 44 -8.310 -3.864 17.324 1.00 52.23 H new ATOM 0 HE3 LYS A 44 -9.818 -4.401 18.038 1.00 52.23 H new ATOM 0 HZ1 LYS A 44 -8.409 -6.271 17.625 1.00 31.31 H new ATOM 0 HZ2 LYS A 44 -9.740 -6.361 16.573 1.00 31.31 H new ATOM 0 HZ3 LYS A 44 -8.228 -5.853 15.989 1.00 31.31 H new ATOM 758 N LEU A 45 -6.374 0.048 14.161 1.00 63.51 N ATOM 759 CA LEU A 45 -5.114 0.851 14.100 1.00 63.30 C ATOM 760 C LEU A 45 -5.143 2.047 15.067 1.00 15.23 C ATOM 761 O LEU A 45 -4.124 2.384 15.688 1.00 65.44 O ATOM 762 CB LEU A 45 -4.839 1.341 12.647 1.00 10.10 C ATOM 763 CG LEU A 45 -4.514 0.223 11.614 1.00 44.44 C ATOM 764 CD1 LEU A 45 -4.269 0.807 10.210 1.00 53.10 C ATOM 765 CD2 LEU A 45 -3.328 -0.639 12.086 1.00 45.42 C ATOM 0 H LEU A 45 -6.853 -0.027 13.264 1.00 63.51 H new ATOM 0 HA LEU A 45 -4.303 0.193 14.412 1.00 63.30 H new ATOM 0 HB2 LEU A 45 -5.711 1.893 12.297 1.00 10.10 H new ATOM 0 HB3 LEU A 45 -4.006 2.043 12.670 1.00 10.10 H new ATOM 0 HG LEU A 45 -5.386 -0.428 11.543 1.00 44.44 H new ATOM 0 HD11 LEU A 45 -4.045 -0.001 9.514 1.00 53.10 H new ATOM 0 HD12 LEU A 45 -5.161 1.337 9.876 1.00 53.10 H new ATOM 0 HD13 LEU A 45 -3.428 1.499 10.246 1.00 53.10 H new ATOM 0 HD21 LEU A 45 -3.123 -1.412 11.346 1.00 45.42 H new ATOM 0 HD22 LEU A 45 -2.446 -0.010 12.208 1.00 45.42 H new ATOM 0 HD23 LEU A 45 -3.574 -1.106 13.039 1.00 45.42 H new ATOM 777 N ALA A 46 -6.335 2.656 15.191 1.00 31.43 N ATOM 778 CA ALA A 46 -6.594 3.763 16.130 1.00 74.33 C ATOM 779 C ALA A 46 -6.483 3.295 17.601 1.00 20.32 C ATOM 780 O ALA A 46 -6.202 4.091 18.499 1.00 31.22 O ATOM 781 CB ALA A 46 -7.984 4.359 15.851 1.00 24.35 C ATOM 0 H ALA A 46 -7.151 2.393 14.639 1.00 31.43 H new ATOM 0 HA ALA A 46 -5.836 4.531 15.977 1.00 74.33 H new ATOM 0 HB1 ALA A 46 -8.175 5.177 16.545 1.00 24.35 H new ATOM 0 HB2 ALA A 46 -8.020 4.735 14.828 1.00 24.35 H new ATOM 0 HB3 ALA A 46 -8.743 3.588 15.981 1.00 24.35 H new ATOM 787 N GLU A 47 -6.707 1.988 17.826 1.00 40.15 N ATOM 788 CA GLU A 47 -6.664 1.362 19.163 1.00 13.21 C ATOM 789 C GLU A 47 -5.271 0.753 19.445 1.00 44.50 C ATOM 790 O GLU A 47 -4.864 0.647 20.606 1.00 61.34 O ATOM 791 CB GLU A 47 -7.768 0.275 19.254 1.00 11.33 C ATOM 792 CG GLU A 47 -9.180 0.787 18.912 1.00 21.52 C ATOM 793 CD GLU A 47 -10.247 -0.303 19.027 1.00 21.13 C ATOM 794 OE1 GLU A 47 -10.408 -1.085 18.070 1.00 12.12 O ATOM 795 OE2 GLU A 47 -10.930 -0.389 20.077 1.00 12.24 O ATOM 0 H GLU A 47 -6.925 1.329 17.079 1.00 40.15 H new ATOM 0 HA GLU A 47 -6.847 2.125 19.919 1.00 13.21 H new ATOM 0 HB2 GLU A 47 -7.515 -0.542 18.579 1.00 11.33 H new ATOM 0 HB3 GLU A 47 -7.776 -0.136 20.263 1.00 11.33 H new ATOM 0 HG2 GLU A 47 -9.435 1.611 19.579 1.00 21.52 H new ATOM 0 HG3 GLU A 47 -9.182 1.186 17.898 1.00 21.52 H new ATOM 802 N GLU A 48 -4.559 0.355 18.366 1.00 13.34 N ATOM 803 CA GLU A 48 -3.199 -0.218 18.443 1.00 3.54 C ATOM 804 C GLU A 48 -2.197 0.870 18.896 1.00 22.33 C ATOM 805 O GLU A 48 -1.268 0.583 19.664 1.00 62.22 O ATOM 806 CB GLU A 48 -2.776 -0.817 17.062 1.00 52.43 C ATOM 807 CG GLU A 48 -3.602 -2.028 16.556 1.00 41.04 C ATOM 808 CD GLU A 48 -3.411 -3.325 17.371 1.00 3.12 C ATOM 809 OE1 GLU A 48 -4.152 -3.547 18.352 1.00 43.44 O ATOM 810 OE2 GLU A 48 -2.532 -4.144 17.020 1.00 62.15 O ATOM 0 H GLU A 48 -4.916 0.423 17.413 1.00 13.34 H new ATOM 0 HA GLU A 48 -3.197 -1.025 19.175 1.00 3.54 H new ATOM 0 HB2 GLU A 48 -2.835 -0.026 16.314 1.00 52.43 H new ATOM 0 HB3 GLU A 48 -1.731 -1.119 17.126 1.00 52.43 H new ATOM 0 HG2 GLU A 48 -4.658 -1.760 16.568 1.00 41.04 H new ATOM 0 HG3 GLU A 48 -3.334 -2.225 15.518 1.00 41.04 H new ATOM 817 N LYS A 49 -2.404 2.102 18.370 1.00 52.40 N ATOM 818 CA LYS A 49 -1.751 3.357 18.825 1.00 72.43 C ATOM 819 C LYS A 49 -0.250 3.473 18.451 1.00 71.42 C ATOM 820 O LYS A 49 0.116 4.338 17.650 1.00 1.11 O ATOM 821 CB LYS A 49 -1.953 3.602 20.355 1.00 0.12 C ATOM 822 CG LYS A 49 -1.322 4.926 20.863 1.00 75.50 C ATOM 823 CD LYS A 49 -1.457 5.140 22.384 1.00 1.25 C ATOM 824 CE LYS A 49 -2.911 5.314 22.840 1.00 0.34 C ATOM 825 NZ LYS A 49 -3.579 6.474 22.189 1.00 51.45 N ATOM 0 H LYS A 49 -3.049 2.256 17.595 1.00 52.40 H new ATOM 0 HA LYS A 49 -2.263 4.144 18.271 1.00 72.43 H new ATOM 0 HB2 LYS A 49 -3.021 3.611 20.575 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -1.521 2.768 20.908 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -0.265 4.939 20.597 1.00 75.50 H new ATOM 0 HG3 LYS A 49 -1.791 5.763 20.345 1.00 75.50 H new ATOM 0 HD2 LYS A 49 -1.018 4.289 22.905 1.00 1.25 H new ATOM 0 HD3 LYS A 49 -0.884 6.021 22.673 1.00 1.25 H new ATOM 0 HE2 LYS A 49 -3.470 4.405 22.616 1.00 0.34 H new ATOM 0 HE3 LYS A 49 -2.936 5.445 23.922 1.00 0.34 H new ATOM 0 HZ1 LYS A 49 -4.501 6.641 22.639 1.00 51.45 H new ATOM 0 HZ2 LYS A 49 -2.984 7.321 22.294 1.00 51.45 H new ATOM 0 HZ3 LYS A 49 -3.719 6.272 21.178 1.00 51.45 H new ATOM 839 N ASN A 50 0.601 2.619 19.052 1.00 25.25 N ATOM 840 CA ASN A 50 2.082 2.752 19.011 1.00 50.33 C ATOM 841 C ASN A 50 2.649 2.655 17.555 1.00 12.01 C ATOM 842 O ASN A 50 1.915 2.382 16.606 1.00 50.03 O ATOM 843 CB ASN A 50 2.697 1.693 19.981 1.00 74.14 C ATOM 844 CG ASN A 50 4.156 1.960 20.380 1.00 13.15 C ATOM 845 OD1 ASN A 50 5.094 1.484 19.742 1.00 1.33 O ATOM 846 ND2 ASN A 50 4.359 2.747 21.427 1.00 55.11 N ATOM 0 H ASN A 50 0.284 1.809 19.585 1.00 25.25 H new ATOM 0 HA ASN A 50 2.370 3.747 19.349 1.00 50.33 H new ATOM 0 HB2 ASN A 50 2.089 1.652 20.885 1.00 74.14 H new ATOM 0 HB3 ASN A 50 2.637 0.711 19.511 1.00 74.14 H new ATOM 0 HD21 ASN A 50 5.310 2.970 21.720 1.00 55.11 H new ATOM 0 HD22 ASN A 50 3.564 3.129 21.939 1.00 55.11 H new ATOM 853 N PHE A 51 3.969 2.846 17.400 1.00 32.02 N ATOM 854 CA PHE A 51 4.622 3.164 16.104 1.00 0.11 C ATOM 855 C PHE A 51 4.735 1.961 15.133 1.00 74.44 C ATOM 856 O PHE A 51 5.488 2.056 14.164 1.00 62.22 O ATOM 857 CB PHE A 51 6.046 3.746 16.383 1.00 20.41 C ATOM 858 CG PHE A 51 6.065 4.930 17.351 1.00 32.11 C ATOM 859 CD1 PHE A 51 5.935 6.237 16.889 1.00 64.23 C ATOM 860 CD2 PHE A 51 6.232 4.733 18.726 1.00 53.43 C ATOM 861 CE1 PHE A 51 5.945 7.302 17.768 1.00 0.41 C ATOM 862 CE2 PHE A 51 6.243 5.800 19.601 1.00 3.31 C ATOM 863 CZ PHE A 51 6.113 7.085 19.121 1.00 20.42 C ATOM 0 H PHE A 51 4.628 2.785 18.176 1.00 32.02 H new ATOM 0 HA PHE A 51 3.982 3.891 15.605 1.00 0.11 H new ATOM 0 HB2 PHE A 51 6.677 2.953 16.785 1.00 20.41 H new ATOM 0 HB3 PHE A 51 6.490 4.058 15.437 1.00 20.41 H new ATOM 0 HD1 PHE A 51 5.825 6.420 15.830 1.00 64.23 H new ATOM 0 HD2 PHE A 51 6.354 3.730 19.109 1.00 53.43 H new ATOM 0 HE1 PHE A 51 5.821 8.308 17.396 1.00 0.41 H new ATOM 0 HE2 PHE A 51 6.353 5.628 20.661 1.00 3.31 H new ATOM 0 HZ PHE A 51 6.143 7.922 19.803 1.00 20.42 H new ATOM 873 N GLU A 52 4.002 0.855 15.391 1.00 31.51 N ATOM 874 CA GLU A 52 4.003 -0.349 14.526 1.00 25.13 C ATOM 875 C GLU A 52 3.741 0.001 13.034 1.00 72.51 C ATOM 876 O GLU A 52 2.732 0.637 12.698 1.00 35.11 O ATOM 877 CB GLU A 52 2.945 -1.396 15.004 1.00 12.50 C ATOM 878 CG GLU A 52 3.292 -2.190 16.285 1.00 54.31 C ATOM 879 CD GLU A 52 3.281 -1.369 17.587 1.00 55.03 C ATOM 880 OE1 GLU A 52 2.220 -1.254 18.230 1.00 2.22 O ATOM 881 OE2 GLU A 52 4.335 -0.844 17.979 1.00 73.12 O ATOM 0 H GLU A 52 3.393 0.771 16.205 1.00 31.51 H new ATOM 0 HA GLU A 52 5.000 -0.782 14.609 1.00 25.13 H new ATOM 0 HB2 GLU A 52 2.001 -0.877 15.169 1.00 12.50 H new ATOM 0 HB3 GLU A 52 2.780 -2.108 14.195 1.00 12.50 H new ATOM 0 HG2 GLU A 52 2.584 -3.012 16.387 1.00 54.31 H new ATOM 0 HG3 GLU A 52 4.280 -2.634 16.162 1.00 54.31 H new ATOM 888 N LYS A 53 4.680 -0.407 12.163 1.00 0.34 N ATOM 889 CA LYS A 53 4.571 -0.225 10.704 1.00 3.45 C ATOM 890 C LYS A 53 3.690 -1.336 10.152 1.00 4.52 C ATOM 891 O LYS A 53 4.129 -2.486 10.040 1.00 55.02 O ATOM 892 CB LYS A 53 5.962 -0.230 9.993 1.00 25.05 C ATOM 893 CG LYS A 53 6.764 1.097 10.077 1.00 71.24 C ATOM 894 CD LYS A 53 7.096 1.527 11.517 1.00 4.13 C ATOM 895 CE LYS A 53 7.929 0.485 12.292 1.00 53.44 C ATOM 896 NZ LYS A 53 7.970 0.803 13.745 1.00 4.21 N ATOM 0 H LYS A 53 5.540 -0.874 12.452 1.00 0.34 H new ATOM 0 HA LYS A 53 4.131 0.753 10.508 1.00 3.45 H new ATOM 0 HB2 LYS A 53 6.567 -1.027 10.424 1.00 25.05 H new ATOM 0 HB3 LYS A 53 5.812 -0.477 8.942 1.00 25.05 H new ATOM 0 HG2 LYS A 53 7.692 0.987 9.517 1.00 71.24 H new ATOM 0 HG3 LYS A 53 6.192 1.889 9.593 1.00 71.24 H new ATOM 0 HD2 LYS A 53 7.642 2.470 11.490 1.00 4.13 H new ATOM 0 HD3 LYS A 53 6.167 1.712 12.056 1.00 4.13 H new ATOM 0 HE2 LYS A 53 7.502 -0.507 12.146 1.00 53.44 H new ATOM 0 HE3 LYS A 53 8.943 0.457 11.894 1.00 53.44 H new ATOM 0 HZ1 LYS A 53 8.127 -0.070 14.287 1.00 4.21 H new ATOM 0 HZ2 LYS A 53 8.745 1.471 13.932 1.00 4.21 H new ATOM 0 HZ3 LYS A 53 7.067 1.231 14.032 1.00 4.21 H new ATOM 910 N ILE A 54 2.442 -0.989 9.837 1.00 21.41 N ATOM 911 CA ILE A 54 1.454 -1.951 9.369 1.00 24.20 C ATOM 912 C ILE A 54 1.357 -1.809 7.841 1.00 4.51 C ATOM 913 O ILE A 54 0.914 -0.774 7.333 1.00 64.00 O ATOM 914 CB ILE A 54 0.053 -1.686 10.043 1.00 71.55 C ATOM 915 CG1 ILE A 54 0.186 -1.512 11.599 1.00 60.43 C ATOM 916 CG2 ILE A 54 -0.943 -2.813 9.692 1.00 33.12 C ATOM 917 CD1 ILE A 54 0.642 -2.744 12.359 1.00 74.42 C ATOM 0 H ILE A 54 2.091 -0.033 9.900 1.00 21.41 H new ATOM 0 HA ILE A 54 1.754 -2.964 9.638 1.00 24.20 H new ATOM 0 HB ILE A 54 -0.337 -0.750 9.644 1.00 71.55 H new ATOM 0 HG12 ILE A 54 0.889 -0.703 11.798 1.00 60.43 H new ATOM 0 HG13 ILE A 54 -0.780 -1.199 11.996 1.00 60.43 H new ATOM 0 HG21 ILE A 54 -1.903 -2.611 10.167 1.00 33.12 H new ATOM 0 HG22 ILE A 54 -1.075 -2.858 8.611 1.00 33.12 H new ATOM 0 HG23 ILE A 54 -0.555 -3.766 10.050 1.00 33.12 H new ATOM 0 HD11 ILE A 54 0.700 -2.514 13.423 1.00 74.42 H new ATOM 0 HD12 ILE A 54 -0.071 -3.554 12.201 1.00 74.42 H new ATOM 0 HD13 ILE A 54 1.624 -3.050 12.000 1.00 74.42 H new ATOM 929 N LEU A 55 1.801 -2.840 7.119 1.00 53.22 N ATOM 930 CA LEU A 55 1.779 -2.862 5.654 1.00 13.53 C ATOM 931 C LEU A 55 0.484 -3.531 5.206 1.00 4.33 C ATOM 932 O LEU A 55 0.176 -4.634 5.653 1.00 52.24 O ATOM 933 CB LEU A 55 3.041 -3.600 5.119 1.00 21.40 C ATOM 934 CG LEU A 55 3.302 -3.519 3.565 1.00 54.40 C ATOM 935 CD1 LEU A 55 4.798 -3.638 3.245 1.00 50.01 C ATOM 936 CD2 LEU A 55 2.512 -4.577 2.768 1.00 75.50 C ATOM 0 H LEU A 55 2.188 -3.687 7.535 1.00 53.22 H new ATOM 0 HA LEU A 55 1.806 -1.852 5.246 1.00 13.53 H new ATOM 0 HB2 LEU A 55 3.914 -3.197 5.632 1.00 21.40 H new ATOM 0 HB3 LEU A 55 2.964 -4.651 5.397 1.00 21.40 H new ATOM 0 HG LEU A 55 2.944 -2.538 3.253 1.00 54.40 H new ATOM 0 HD11 LEU A 55 4.945 -3.579 2.167 1.00 50.01 H new ATOM 0 HD12 LEU A 55 5.340 -2.826 3.730 1.00 50.01 H new ATOM 0 HD13 LEU A 55 5.173 -4.594 3.610 1.00 50.01 H new ATOM 0 HD21 LEU A 55 2.732 -4.472 1.706 1.00 75.50 H new ATOM 0 HD22 LEU A 55 2.800 -5.574 3.101 1.00 75.50 H new ATOM 0 HD23 LEU A 55 1.444 -4.434 2.933 1.00 75.50 H new ATOM 948 N ILE A 56 -0.278 -2.854 4.341 1.00 20.12 N ATOM 949 CA ILE A 56 -1.569 -3.348 3.850 1.00 72.21 C ATOM 950 C ILE A 56 -1.434 -3.707 2.359 1.00 34.41 C ATOM 951 O ILE A 56 -1.222 -2.817 1.529 1.00 63.11 O ATOM 952 CB ILE A 56 -2.715 -2.272 4.006 1.00 23.22 C ATOM 953 CG1 ILE A 56 -2.689 -1.565 5.405 1.00 61.42 C ATOM 954 CG2 ILE A 56 -4.100 -2.907 3.732 1.00 55.22 C ATOM 955 CD1 ILE A 56 -2.844 -2.488 6.591 1.00 51.01 C ATOM 0 H ILE A 56 -0.016 -1.945 3.960 1.00 20.12 H new ATOM 0 HA ILE A 56 -1.838 -4.221 4.445 1.00 72.21 H new ATOM 0 HB ILE A 56 -2.531 -1.498 3.261 1.00 23.22 H new ATOM 0 HG12 ILE A 56 -1.747 -1.025 5.505 1.00 61.42 H new ATOM 0 HG13 ILE A 56 -3.487 -0.823 5.435 1.00 61.42 H new ATOM 0 HG21 ILE A 56 -4.876 -2.150 3.844 1.00 55.22 H new ATOM 0 HG22 ILE A 56 -4.124 -3.303 2.717 1.00 55.22 H new ATOM 0 HG23 ILE A 56 -4.276 -3.715 4.441 1.00 55.22 H new ATOM 0 HD11 ILE A 56 -2.813 -1.906 7.512 1.00 51.01 H new ATOM 0 HD12 ILE A 56 -3.799 -3.010 6.524 1.00 51.01 H new ATOM 0 HD13 ILE A 56 -2.032 -3.215 6.595 1.00 51.01 H new ATOM 967 N ILE A 57 -1.524 -5.001 2.024 1.00 1.02 N ATOM 968 CA ILE A 57 -1.628 -5.453 0.622 1.00 71.23 C ATOM 969 C ILE A 57 -3.120 -5.579 0.266 1.00 43.22 C ATOM 970 O ILE A 57 -3.871 -6.222 0.989 1.00 55.52 O ATOM 971 CB ILE A 57 -0.911 -6.834 0.361 1.00 23.22 C ATOM 972 CG1 ILE A 57 0.577 -6.786 0.826 1.00 23.32 C ATOM 973 CG2 ILE A 57 -1.003 -7.217 -1.139 1.00 11.53 C ATOM 974 CD1 ILE A 57 1.327 -8.104 0.723 1.00 5.52 C ATOM 0 H ILE A 57 -1.527 -5.760 2.706 1.00 1.02 H new ATOM 0 HA ILE A 57 -1.125 -4.716 -0.004 1.00 71.23 H new ATOM 0 HB ILE A 57 -1.422 -7.599 0.946 1.00 23.22 H new ATOM 0 HG12 ILE A 57 1.103 -6.039 0.232 1.00 23.32 H new ATOM 0 HG13 ILE A 57 0.607 -6.449 1.862 1.00 23.32 H new ATOM 0 HG21 ILE A 57 -0.504 -8.172 -1.302 1.00 11.53 H new ATOM 0 HG22 ILE A 57 -2.050 -7.301 -1.430 1.00 11.53 H new ATOM 0 HG23 ILE A 57 -0.520 -6.448 -1.741 1.00 11.53 H new ATOM 0 HD11 ILE A 57 2.352 -7.968 1.069 1.00 5.52 H new ATOM 0 HD12 ILE A 57 0.832 -8.853 1.341 1.00 5.52 H new ATOM 0 HD13 ILE A 57 1.336 -8.437 -0.315 1.00 5.52 H new ATOM 986 N SER A 58 -3.541 -4.948 -0.831 1.00 25.54 N ATOM 987 CA SER A 58 -4.899 -5.090 -1.369 1.00 52.02 C ATOM 988 C SER A 58 -4.781 -5.260 -2.885 1.00 35.11 C ATOM 989 O SER A 58 -4.322 -4.357 -3.575 1.00 23.22 O ATOM 990 CB SER A 58 -5.769 -3.855 -1.006 1.00 60.33 C ATOM 991 OG SER A 58 -7.102 -4.001 -1.482 1.00 24.23 O ATOM 0 H SER A 58 -2.949 -4.321 -1.375 1.00 25.54 H new ATOM 0 HA SER A 58 -5.392 -5.959 -0.934 1.00 52.02 H new ATOM 0 HB2 SER A 58 -5.780 -3.721 0.076 1.00 60.33 H new ATOM 0 HB3 SER A 58 -5.325 -2.956 -1.434 1.00 60.33 H new ATOM 0 HG SER A 58 -7.197 -3.532 -2.337 1.00 24.23 H new ATOM 997 N ASN A 59 -5.206 -6.426 -3.386 1.00 41.21 N ATOM 998 CA ASN A 59 -5.146 -6.771 -4.822 1.00 52.34 C ATOM 999 C ASN A 59 -6.179 -5.953 -5.629 1.00 14.11 C ATOM 1000 O ASN A 59 -6.026 -5.757 -6.837 1.00 33.41 O ATOM 1001 CB ASN A 59 -5.370 -8.302 -4.995 1.00 22.52 C ATOM 1002 CG ASN A 59 -5.448 -8.771 -6.459 1.00 54.12 C ATOM 1003 OD1 ASN A 59 -6.526 -8.823 -7.057 1.00 71.44 O ATOM 1004 ND2 ASN A 59 -4.314 -9.104 -7.050 1.00 64.21 N ATOM 0 H ASN A 59 -5.605 -7.165 -2.807 1.00 41.21 H new ATOM 0 HA ASN A 59 -4.161 -6.516 -5.213 1.00 52.34 H new ATOM 0 HB2 ASN A 59 -4.559 -8.834 -4.498 1.00 22.52 H new ATOM 0 HB3 ASN A 59 -6.293 -8.582 -4.487 1.00 22.52 H new ATOM 0 HD21 ASN A 59 -4.317 -9.413 -8.022 1.00 64.21 H new ATOM 0 HD22 ASN A 59 -3.436 -9.052 -6.534 1.00 64.21 H new ATOM 1011 N ASP A 60 -7.196 -5.434 -4.924 1.00 4.42 N ATOM 1012 CA ASP A 60 -8.334 -4.723 -5.525 1.00 25.53 C ATOM 1013 C ASP A 60 -8.235 -3.211 -5.245 1.00 21.41 C ATOM 1014 O ASP A 60 -7.945 -2.793 -4.113 1.00 43.11 O ATOM 1015 CB ASP A 60 -9.656 -5.300 -4.962 1.00 71.42 C ATOM 1016 CG ASP A 60 -10.914 -4.543 -5.419 1.00 73.32 C ATOM 1017 OD1 ASP A 60 -11.061 -4.275 -6.632 1.00 71.40 O ATOM 1018 OD2 ASP A 60 -11.758 -4.218 -4.573 1.00 2.52 O ATOM 0 H ASP A 60 -7.251 -5.497 -3.907 1.00 4.42 H new ATOM 0 HA ASP A 60 -8.316 -4.865 -6.606 1.00 25.53 H new ATOM 0 HB2 ASP A 60 -9.743 -6.344 -5.264 1.00 71.42 H new ATOM 0 HB3 ASP A 60 -9.612 -5.286 -3.873 1.00 71.42 H new ATOM 1023 N LYS A 61 -8.477 -2.402 -6.297 1.00 74.35 N ATOM 1024 CA LYS A 61 -8.403 -0.929 -6.221 1.00 11.03 C ATOM 1025 C LYS A 61 -9.653 -0.316 -5.567 1.00 54.42 C ATOM 1026 O LYS A 61 -9.568 0.775 -5.001 1.00 24.52 O ATOM 1027 CB LYS A 61 -8.160 -0.307 -7.624 1.00 24.43 C ATOM 1028 CG LYS A 61 -6.768 -0.629 -8.206 1.00 24.21 C ATOM 1029 CD LYS A 61 -6.498 0.066 -9.558 1.00 44.12 C ATOM 1030 CE LYS A 61 -5.101 -0.259 -10.108 1.00 34.33 C ATOM 1031 NZ LYS A 61 -4.880 -1.721 -10.248 1.00 45.21 N ATOM 0 H LYS A 61 -8.729 -2.751 -7.222 1.00 74.35 H new ATOM 0 HA LYS A 61 -7.552 -0.690 -5.583 1.00 11.03 H new ATOM 0 HB2 LYS A 61 -8.925 -0.669 -8.311 1.00 24.43 H new ATOM 0 HB3 LYS A 61 -8.277 0.775 -7.558 1.00 24.43 H new ATOM 0 HG2 LYS A 61 -6.003 -0.327 -7.490 1.00 24.21 H new ATOM 0 HG3 LYS A 61 -6.676 -1.707 -8.334 1.00 24.21 H new ATOM 0 HD2 LYS A 61 -7.253 -0.244 -10.281 1.00 44.12 H new ATOM 0 HD3 LYS A 61 -6.597 1.145 -9.436 1.00 44.12 H new ATOM 0 HE2 LYS A 61 -4.974 0.221 -11.078 1.00 34.33 H new ATOM 0 HE3 LYS A 61 -4.344 0.159 -9.444 1.00 34.33 H new ATOM 0 HZ1 LYS A 61 -4.333 -1.908 -11.113 1.00 45.21 H new ATOM 0 HZ2 LYS A 61 -4.354 -2.073 -9.423 1.00 45.21 H new ATOM 0 HZ3 LYS A 61 -5.798 -2.207 -10.307 1.00 45.21 H new ATOM 1045 N GLN A 62 -10.804 -1.019 -5.636 1.00 3.31 N ATOM 1046 CA GLN A 62 -12.055 -0.544 -5.003 1.00 15.43 C ATOM 1047 C GLN A 62 -11.879 -0.531 -3.472 1.00 33.34 C ATOM 1048 O GLN A 62 -12.207 0.465 -2.815 1.00 10.00 O ATOM 1049 CB GLN A 62 -13.260 -1.435 -5.414 1.00 63.41 C ATOM 1050 CG GLN A 62 -14.609 -1.024 -4.788 1.00 62.42 C ATOM 1051 CD GLN A 62 -15.735 -2.013 -5.092 1.00 12.04 C ATOM 1052 OE1 GLN A 62 -15.974 -2.956 -4.338 1.00 74.25 O ATOM 1053 NE2 GLN A 62 -16.423 -1.822 -6.205 1.00 43.42 N ATOM 0 H GLN A 62 -10.894 -1.912 -6.120 1.00 3.31 H new ATOM 0 HA GLN A 62 -12.265 0.469 -5.347 1.00 15.43 H new ATOM 0 HB2 GLN A 62 -13.357 -1.413 -6.499 1.00 63.41 H new ATOM 0 HB3 GLN A 62 -13.044 -2.466 -5.134 1.00 63.41 H new ATOM 0 HG2 GLN A 62 -14.491 -0.938 -3.708 1.00 62.42 H new ATOM 0 HG3 GLN A 62 -14.889 -0.038 -5.158 1.00 62.42 H new ATOM 0 HE21 GLN A 62 -16.203 -1.032 -6.811 1.00 43.42 H new ATOM 0 HE22 GLN A 62 -17.174 -2.465 -6.457 1.00 43.42 H new ATOM 1062 N LEU A 63 -11.316 -1.640 -2.931 1.00 61.01 N ATOM 1063 CA LEU A 63 -10.929 -1.747 -1.509 1.00 73.23 C ATOM 1064 C LEU A 63 -9.924 -0.645 -1.134 1.00 50.24 C ATOM 1065 O LEU A 63 -10.039 -0.030 -0.081 1.00 12.24 O ATOM 1066 CB LEU A 63 -10.318 -3.148 -1.189 1.00 73.30 C ATOM 1067 CG LEU A 63 -11.308 -4.353 -1.184 1.00 51.00 C ATOM 1068 CD1 LEU A 63 -10.570 -5.678 -0.897 1.00 1.34 C ATOM 1069 CD2 LEU A 63 -12.462 -4.122 -0.185 1.00 11.24 C ATOM 0 H LEU A 63 -11.119 -2.483 -3.471 1.00 61.01 H new ATOM 0 HA LEU A 63 -11.834 -1.622 -0.915 1.00 73.23 H new ATOM 0 HB2 LEU A 63 -9.534 -3.353 -1.918 1.00 73.30 H new ATOM 0 HB3 LEU A 63 -9.838 -3.096 -0.212 1.00 73.30 H new ATOM 0 HG LEU A 63 -11.746 -4.430 -2.179 1.00 51.00 H new ATOM 0 HD11 LEU A 63 -11.285 -6.501 -0.900 1.00 1.34 H new ATOM 0 HD12 LEU A 63 -9.817 -5.849 -1.666 1.00 1.34 H new ATOM 0 HD13 LEU A 63 -10.086 -5.621 0.078 1.00 1.34 H new ATOM 0 HD21 LEU A 63 -13.136 -4.978 -0.203 1.00 11.24 H new ATOM 0 HD22 LEU A 63 -12.055 -4.002 0.819 1.00 11.24 H new ATOM 0 HD23 LEU A 63 -13.011 -3.222 -0.464 1.00 11.24 H new ATOM 1081 N LEU A 64 -8.956 -0.392 -2.028 1.00 54.24 N ATOM 1082 CA LEU A 64 -7.928 0.645 -1.825 1.00 73.11 C ATOM 1083 C LEU A 64 -8.568 2.043 -1.636 1.00 32.05 C ATOM 1084 O LEU A 64 -8.114 2.814 -0.794 1.00 64.54 O ATOM 1085 CB LEU A 64 -6.917 0.605 -3.005 1.00 2.34 C ATOM 1086 CG LEU A 64 -5.801 1.724 -3.050 1.00 74.04 C ATOM 1087 CD1 LEU A 64 -4.476 1.171 -3.588 1.00 11.14 C ATOM 1088 CD2 LEU A 64 -6.234 2.944 -3.903 1.00 4.20 C ATOM 0 H LEU A 64 -8.862 -0.897 -2.909 1.00 54.24 H new ATOM 0 HA LEU A 64 -7.382 0.439 -0.905 1.00 73.11 H new ATOM 0 HB2 LEU A 64 -6.420 -0.365 -2.989 1.00 2.34 H new ATOM 0 HB3 LEU A 64 -7.483 0.658 -3.935 1.00 2.34 H new ATOM 0 HG LEU A 64 -5.658 2.056 -2.022 1.00 74.04 H new ATOM 0 HD11 LEU A 64 -3.730 1.966 -3.606 1.00 11.14 H new ATOM 0 HD12 LEU A 64 -4.130 0.363 -2.943 1.00 11.14 H new ATOM 0 HD13 LEU A 64 -4.624 0.790 -4.598 1.00 11.14 H new ATOM 0 HD21 LEU A 64 -5.437 3.687 -3.906 1.00 4.20 H new ATOM 0 HD22 LEU A 64 -6.433 2.621 -4.925 1.00 4.20 H new ATOM 0 HD23 LEU A 64 -7.137 3.382 -3.479 1.00 4.20 H new ATOM 1100 N LYS A 65 -9.645 2.332 -2.399 1.00 14.15 N ATOM 1101 CA LYS A 65 -10.379 3.622 -2.312 1.00 13.33 C ATOM 1102 C LYS A 65 -11.080 3.767 -0.952 1.00 73.12 C ATOM 1103 O LYS A 65 -10.927 4.799 -0.286 1.00 25.50 O ATOM 1104 CB LYS A 65 -11.407 3.737 -3.463 1.00 14.21 C ATOM 1105 CG LYS A 65 -10.774 3.724 -4.867 1.00 23.41 C ATOM 1106 CD LYS A 65 -11.823 3.702 -6.003 1.00 72.33 C ATOM 1107 CE LYS A 65 -12.656 4.996 -6.081 1.00 75.44 C ATOM 1108 NZ LYS A 65 -13.723 4.917 -7.120 1.00 75.01 N ATOM 0 H LYS A 65 -10.031 1.686 -3.088 1.00 14.15 H new ATOM 0 HA LYS A 65 -9.654 4.430 -2.408 1.00 13.33 H new ATOM 0 HB2 LYS A 65 -12.117 2.913 -3.387 1.00 14.21 H new ATOM 0 HB3 LYS A 65 -11.975 4.659 -3.339 1.00 14.21 H new ATOM 0 HG2 LYS A 65 -10.141 4.604 -4.982 1.00 23.41 H new ATOM 0 HG3 LYS A 65 -10.128 2.851 -4.960 1.00 23.41 H new ATOM 0 HD2 LYS A 65 -11.316 3.545 -6.955 1.00 72.33 H new ATOM 0 HD3 LYS A 65 -12.492 2.854 -5.855 1.00 72.33 H new ATOM 0 HE2 LYS A 65 -13.111 5.193 -5.110 1.00 75.44 H new ATOM 0 HE3 LYS A 65 -11.998 5.837 -6.301 1.00 75.44 H new ATOM 0 HZ1 LYS A 65 -14.258 5.809 -7.137 1.00 75.01 H new ATOM 0 HZ2 LYS A 65 -13.289 4.756 -8.051 1.00 75.01 H new ATOM 0 HZ3 LYS A 65 -14.367 4.131 -6.897 1.00 75.01 H new ATOM 1122 N GLU A 66 -11.817 2.703 -0.548 1.00 72.31 N ATOM 1123 CA GLU A 66 -12.505 2.649 0.766 1.00 64.33 C ATOM 1124 C GLU A 66 -11.490 2.908 1.905 1.00 61.43 C ATOM 1125 O GLU A 66 -11.738 3.696 2.824 1.00 40.11 O ATOM 1126 CB GLU A 66 -13.168 1.255 0.991 1.00 52.42 C ATOM 1127 CG GLU A 66 -14.024 0.717 -0.172 1.00 33.41 C ATOM 1128 CD GLU A 66 -15.227 1.600 -0.529 1.00 40.21 C ATOM 1129 OE1 GLU A 66 -16.273 1.495 0.154 1.00 60.24 O ATOM 1130 OE2 GLU A 66 -15.149 2.393 -1.496 1.00 62.04 O ATOM 0 H GLU A 66 -11.951 1.867 -1.117 1.00 72.31 H new ATOM 0 HA GLU A 66 -13.278 3.417 0.772 1.00 64.33 H new ATOM 0 HB2 GLU A 66 -12.381 0.531 1.202 1.00 52.42 H new ATOM 0 HB3 GLU A 66 -13.795 1.313 1.881 1.00 52.42 H new ATOM 0 HG2 GLU A 66 -13.392 0.609 -1.054 1.00 33.41 H new ATOM 0 HG3 GLU A 66 -14.383 -0.279 0.086 1.00 33.41 H new ATOM 1137 N MET A 67 -10.332 2.237 1.759 1.00 42.41 N ATOM 1138 CA MET A 67 -9.215 2.258 2.707 1.00 61.23 C ATOM 1139 C MET A 67 -8.641 3.679 2.880 1.00 21.02 C ATOM 1140 O MET A 67 -8.447 4.126 4.006 1.00 24.45 O ATOM 1141 CB MET A 67 -8.102 1.303 2.198 1.00 21.01 C ATOM 1142 CG MET A 67 -7.001 1.013 3.217 1.00 30.35 C ATOM 1143 SD MET A 67 -7.536 -0.132 4.503 1.00 32.32 S ATOM 1144 CE MET A 67 -7.567 -1.682 3.606 1.00 60.54 C ATOM 0 H MET A 67 -10.147 1.647 0.948 1.00 42.41 H new ATOM 0 HA MET A 67 -9.583 1.929 3.679 1.00 61.23 H new ATOM 0 HB2 MET A 67 -8.559 0.360 1.898 1.00 21.01 H new ATOM 0 HB3 MET A 67 -7.649 1.736 1.306 1.00 21.01 H new ATOM 0 HG2 MET A 67 -6.134 0.598 2.703 1.00 30.35 H new ATOM 0 HG3 MET A 67 -6.681 1.948 3.677 1.00 30.35 H new ATOM 0 HE1 MET A 67 -8.541 -2.155 3.730 1.00 60.54 H new ATOM 0 HE2 MET A 67 -7.387 -1.493 2.548 1.00 60.54 H new ATOM 0 HE3 MET A 67 -6.791 -2.342 3.994 1.00 60.54 H new ATOM 1154 N LEU A 68 -8.392 4.377 1.746 1.00 73.22 N ATOM 1155 CA LEU A 68 -7.784 5.734 1.739 1.00 41.51 C ATOM 1156 C LEU A 68 -8.720 6.765 2.379 1.00 23.03 C ATOM 1157 O LEU A 68 -8.264 7.698 3.047 1.00 52.55 O ATOM 1158 CB LEU A 68 -7.433 6.186 0.297 1.00 52.12 C ATOM 1159 CG LEU A 68 -6.308 5.387 -0.423 1.00 35.11 C ATOM 1160 CD1 LEU A 68 -6.187 5.844 -1.882 1.00 63.44 C ATOM 1161 CD2 LEU A 68 -4.952 5.502 0.314 1.00 22.33 C ATOM 0 H LEU A 68 -8.605 4.020 0.815 1.00 73.22 H new ATOM 0 HA LEU A 68 -6.867 5.674 2.325 1.00 41.51 H new ATOM 0 HB2 LEU A 68 -8.337 6.126 -0.310 1.00 52.12 H new ATOM 0 HB3 LEU A 68 -7.140 7.235 0.329 1.00 52.12 H new ATOM 0 HG LEU A 68 -6.584 4.333 -0.408 1.00 35.11 H new ATOM 0 HD11 LEU A 68 -5.397 5.278 -2.376 1.00 63.44 H new ATOM 0 HD12 LEU A 68 -7.132 5.672 -2.397 1.00 63.44 H new ATOM 0 HD13 LEU A 68 -5.945 6.906 -1.912 1.00 63.44 H new ATOM 0 HD21 LEU A 68 -4.196 4.929 -0.223 1.00 22.33 H new ATOM 0 HD22 LEU A 68 -4.650 6.548 0.359 1.00 22.33 H new ATOM 0 HD23 LEU A 68 -5.053 5.110 1.326 1.00 22.33 H new ATOM 1173 N GLU A 69 -10.032 6.586 2.149 1.00 13.41 N ATOM 1174 CA GLU A 69 -11.077 7.430 2.747 1.00 35.43 C ATOM 1175 C GLU A 69 -11.137 7.211 4.271 1.00 74.43 C ATOM 1176 O GLU A 69 -11.383 8.159 5.020 1.00 43.43 O ATOM 1177 CB GLU A 69 -12.441 7.164 2.056 1.00 42.54 C ATOM 1178 CG GLU A 69 -12.457 7.620 0.582 1.00 3.11 C ATOM 1179 CD GLU A 69 -13.750 7.276 -0.166 1.00 73.22 C ATOM 1180 OE1 GLU A 69 -14.734 8.051 -0.070 1.00 1.35 O ATOM 1181 OE2 GLU A 69 -13.790 6.240 -0.865 1.00 22.11 O ATOM 0 H GLU A 69 -10.397 5.851 1.543 1.00 13.41 H new ATOM 0 HA GLU A 69 -10.832 8.480 2.585 1.00 35.43 H new ATOM 0 HB2 GLU A 69 -12.668 6.099 2.106 1.00 42.54 H new ATOM 0 HB3 GLU A 69 -13.228 7.684 2.602 1.00 42.54 H new ATOM 0 HG2 GLU A 69 -12.305 8.699 0.545 1.00 3.11 H new ATOM 0 HG3 GLU A 69 -11.616 7.161 0.062 1.00 3.11 H new ATOM 1188 N LEU A 70 -10.870 5.963 4.721 1.00 24.12 N ATOM 1189 CA LEU A 70 -10.719 5.646 6.161 1.00 44.54 C ATOM 1190 C LEU A 70 -9.432 6.284 6.732 1.00 23.10 C ATOM 1191 O LEU A 70 -9.438 6.787 7.852 1.00 22.32 O ATOM 1192 CB LEU A 70 -10.730 4.108 6.407 1.00 60.14 C ATOM 1193 CG LEU A 70 -12.078 3.375 6.105 1.00 21.25 C ATOM 1194 CD1 LEU A 70 -11.981 1.875 6.449 1.00 32.52 C ATOM 1195 CD2 LEU A 70 -13.264 4.042 6.841 1.00 63.05 C ATOM 0 H LEU A 70 -10.754 5.157 4.106 1.00 24.12 H new ATOM 0 HA LEU A 70 -11.574 6.072 6.686 1.00 44.54 H new ATOM 0 HB2 LEU A 70 -9.949 3.657 5.795 1.00 60.14 H new ATOM 0 HB3 LEU A 70 -10.465 3.925 7.448 1.00 60.14 H new ATOM 0 HG LEU A 70 -12.268 3.462 5.035 1.00 21.25 H new ATOM 0 HD11 LEU A 70 -12.932 1.389 6.230 1.00 32.52 H new ATOM 0 HD12 LEU A 70 -11.193 1.415 5.853 1.00 32.52 H new ATOM 0 HD13 LEU A 70 -11.750 1.759 7.508 1.00 32.52 H new ATOM 0 HD21 LEU A 70 -14.184 3.506 6.608 1.00 63.05 H new ATOM 0 HD22 LEU A 70 -13.089 4.011 7.916 1.00 63.05 H new ATOM 0 HD23 LEU A 70 -13.356 5.079 6.518 1.00 63.05 H new ATOM 1207 N ILE A 71 -8.350 6.291 5.927 1.00 53.32 N ATOM 1208 CA ILE A 71 -7.059 6.916 6.300 1.00 22.00 C ATOM 1209 C ILE A 71 -7.233 8.448 6.440 1.00 4.24 C ATOM 1210 O ILE A 71 -6.600 9.080 7.284 1.00 10.10 O ATOM 1211 CB ILE A 71 -5.928 6.576 5.246 1.00 22.32 C ATOM 1212 CG1 ILE A 71 -5.660 5.036 5.207 1.00 62.42 C ATOM 1213 CG2 ILE A 71 -4.618 7.354 5.533 1.00 21.40 C ATOM 1214 CD1 ILE A 71 -4.736 4.564 4.087 1.00 61.20 C ATOM 0 H ILE A 71 -8.344 5.865 5.000 1.00 53.32 H new ATOM 0 HA ILE A 71 -6.747 6.506 7.260 1.00 22.00 H new ATOM 0 HB ILE A 71 -6.286 6.894 4.267 1.00 22.32 H new ATOM 0 HG12 ILE A 71 -5.230 4.734 6.162 1.00 62.42 H new ATOM 0 HG13 ILE A 71 -6.615 4.520 5.110 1.00 62.42 H new ATOM 0 HG21 ILE A 71 -3.868 7.092 4.787 1.00 21.40 H new ATOM 0 HG22 ILE A 71 -4.814 8.425 5.489 1.00 21.40 H new ATOM 0 HG23 ILE A 71 -4.250 7.093 6.525 1.00 21.40 H new ATOM 0 HD11 ILE A 71 -4.614 3.482 4.147 1.00 61.20 H new ATOM 0 HD12 ILE A 71 -5.170 4.827 3.122 1.00 61.20 H new ATOM 0 HD13 ILE A 71 -3.763 5.045 4.191 1.00 61.20 H new ATOM 1226 N SER A 72 -8.136 9.023 5.627 1.00 41.01 N ATOM 1227 CA SER A 72 -8.499 10.449 5.689 1.00 61.11 C ATOM 1228 C SER A 72 -9.248 10.787 7.003 1.00 74.41 C ATOM 1229 O SER A 72 -9.273 11.946 7.428 1.00 21.44 O ATOM 1230 CB SER A 72 -9.356 10.801 4.447 1.00 75.41 C ATOM 1231 OG SER A 72 -9.795 12.149 4.459 1.00 4.35 O ATOM 0 H SER A 72 -8.638 8.508 4.904 1.00 41.01 H new ATOM 0 HA SER A 72 -7.590 11.051 5.684 1.00 61.11 H new ATOM 0 HB2 SER A 72 -8.774 10.619 3.544 1.00 75.41 H new ATOM 0 HB3 SER A 72 -10.222 10.140 4.407 1.00 75.41 H new ATOM 0 HG SER A 72 -10.330 12.326 3.657 1.00 4.35 H new ATOM 1237 N LYS A 73 -9.871 9.764 7.622 1.00 71.25 N ATOM 1238 CA LYS A 73 -10.547 9.893 8.929 1.00 63.12 C ATOM 1239 C LYS A 73 -9.541 9.751 10.097 1.00 72.12 C ATOM 1240 O LYS A 73 -9.723 10.360 11.157 1.00 4.23 O ATOM 1241 CB LYS A 73 -11.659 8.813 9.067 1.00 71.24 C ATOM 1242 CG LYS A 73 -12.700 8.779 7.919 1.00 3.21 C ATOM 1243 CD LYS A 73 -13.538 10.072 7.786 1.00 43.44 C ATOM 1244 CE LYS A 73 -14.457 10.330 8.997 1.00 0.53 C ATOM 1245 NZ LYS A 73 -15.421 9.220 9.224 1.00 51.11 N ATOM 0 H LYS A 73 -9.920 8.824 7.229 1.00 71.25 H new ATOM 0 HA LYS A 73 -10.994 10.886 8.976 1.00 63.12 H new ATOM 0 HB2 LYS A 73 -11.185 7.834 9.133 1.00 71.24 H new ATOM 0 HB3 LYS A 73 -12.186 8.976 10.007 1.00 71.24 H new ATOM 0 HG2 LYS A 73 -12.181 8.597 6.978 1.00 3.21 H new ATOM 0 HG3 LYS A 73 -13.374 7.937 8.079 1.00 3.21 H new ATOM 0 HD2 LYS A 73 -12.866 10.921 7.661 1.00 43.44 H new ATOM 0 HD3 LYS A 73 -14.146 10.011 6.883 1.00 43.44 H new ATOM 0 HE2 LYS A 73 -13.847 10.466 9.890 1.00 0.53 H new ATOM 0 HE3 LYS A 73 -15.006 11.259 8.842 1.00 0.53 H new ATOM 0 HZ1 LYS A 73 -16.113 9.504 9.947 1.00 51.11 H new ATOM 0 HZ2 LYS A 73 -15.917 9.004 8.336 1.00 51.11 H new ATOM 0 HZ3 LYS A 73 -14.908 8.376 9.548 1.00 51.11 H new ATOM 1259 N LEU A 74 -8.473 8.948 9.885 1.00 21.15 N ATOM 1260 CA LEU A 74 -7.517 8.566 10.949 1.00 13.32 C ATOM 1261 C LEU A 74 -6.311 9.522 10.961 1.00 52.02 C ATOM 1262 O LEU A 74 -6.049 10.201 11.960 1.00 65.44 O ATOM 1263 CB LEU A 74 -7.050 7.098 10.723 1.00 52.11 C ATOM 1264 CG LEU A 74 -8.175 6.014 10.667 1.00 64.10 C ATOM 1265 CD1 LEU A 74 -7.602 4.645 10.256 1.00 13.51 C ATOM 1266 CD2 LEU A 74 -8.950 5.927 12.001 1.00 61.42 C ATOM 0 H LEU A 74 -8.250 8.548 8.974 1.00 21.15 H new ATOM 0 HA LEU A 74 -8.012 8.638 11.917 1.00 13.32 H new ATOM 0 HB2 LEU A 74 -6.489 7.057 9.789 1.00 52.11 H new ATOM 0 HB3 LEU A 74 -6.358 6.832 11.522 1.00 52.11 H new ATOM 0 HG LEU A 74 -8.889 6.319 9.902 1.00 64.10 H new ATOM 0 HD11 LEU A 74 -8.405 3.909 10.225 1.00 13.51 H new ATOM 0 HD12 LEU A 74 -7.143 4.724 9.270 1.00 13.51 H new ATOM 0 HD13 LEU A 74 -6.851 4.332 10.982 1.00 13.51 H new ATOM 0 HD21 LEU A 74 -9.723 5.163 11.923 1.00 61.42 H new ATOM 0 HD22 LEU A 74 -8.262 5.666 12.805 1.00 61.42 H new ATOM 0 HD23 LEU A 74 -9.412 6.890 12.217 1.00 61.42 H new ATOM 1278 N GLY A 75 -5.584 9.554 9.828 1.00 54.21 N ATOM 1279 CA GLY A 75 -4.429 10.432 9.645 1.00 31.44 C ATOM 1280 C GLY A 75 -3.125 9.711 9.948 1.00 22.02 C ATOM 1281 O GLY A 75 -2.621 9.776 11.069 1.00 32.30 O ATOM 0 H GLY A 75 -5.787 8.969 9.018 1.00 54.21 H new ATOM 0 HA2 GLY A 75 -4.411 10.802 8.620 1.00 31.44 H new ATOM 0 HA3 GLY A 75 -4.525 11.301 10.296 1.00 31.44 H new ATOM 1285 N TYR A 76 -2.590 8.999 8.941 1.00 44.25 N ATOM 1286 CA TYR A 76 -1.329 8.225 9.060 1.00 4.21 C ATOM 1287 C TYR A 76 -0.386 8.528 7.885 1.00 24.10 C ATOM 1288 O TYR A 76 -0.846 8.893 6.795 1.00 24.22 O ATOM 1289 CB TYR A 76 -1.633 6.702 9.147 1.00 33.23 C ATOM 1290 CG TYR A 76 -2.363 6.270 10.437 1.00 35.10 C ATOM 1291 CD1 TYR A 76 -1.903 6.686 11.689 1.00 25.10 C ATOM 1292 CD2 TYR A 76 -3.501 5.455 10.409 1.00 54.31 C ATOM 1293 CE1 TYR A 76 -2.541 6.308 12.851 1.00 70.12 C ATOM 1294 CE2 TYR A 76 -4.138 5.072 11.577 1.00 41.34 C ATOM 1295 CZ TYR A 76 -3.657 5.507 12.792 1.00 25.54 C ATOM 1296 OH TYR A 76 -4.292 5.136 13.957 1.00 45.04 O ATOM 0 H TYR A 76 -3.017 8.940 8.016 1.00 44.25 H new ATOM 0 HA TYR A 76 -0.827 8.528 9.979 1.00 4.21 H new ATOM 0 HB2 TYR A 76 -2.239 6.415 8.288 1.00 33.23 H new ATOM 0 HB3 TYR A 76 -0.695 6.152 9.073 1.00 33.23 H new ATOM 0 HD1 TYR A 76 -1.029 7.317 11.748 1.00 25.10 H new ATOM 0 HD2 TYR A 76 -3.889 5.119 9.459 1.00 54.31 H new ATOM 0 HE1 TYR A 76 -2.165 6.641 13.807 1.00 70.12 H new ATOM 0 HE2 TYR A 76 -5.009 4.435 11.536 1.00 41.34 H new ATOM 0 HH TYR A 76 -5.064 4.571 13.743 1.00 45.04 H new ATOM 1306 N LYS A 77 0.937 8.376 8.132 1.00 42.53 N ATOM 1307 CA LYS A 77 1.986 8.548 7.104 1.00 71.45 C ATOM 1308 C LYS A 77 2.000 7.306 6.194 1.00 75.45 C ATOM 1309 O LYS A 77 2.618 6.287 6.516 1.00 11.04 O ATOM 1310 CB LYS A 77 3.378 8.773 7.770 1.00 54.41 C ATOM 1311 CG LYS A 77 4.561 8.978 6.785 1.00 71.21 C ATOM 1312 CD LYS A 77 4.395 10.226 5.880 1.00 51.54 C ATOM 1313 CE LYS A 77 5.560 10.401 4.892 1.00 71.21 C ATOM 1314 NZ LYS A 77 5.370 11.581 4.001 1.00 71.43 N ATOM 0 H LYS A 77 1.305 8.130 9.051 1.00 42.53 H new ATOM 0 HA LYS A 77 1.768 9.430 6.502 1.00 71.45 H new ATOM 0 HB2 LYS A 77 3.314 9.645 8.421 1.00 54.41 H new ATOM 0 HB3 LYS A 77 3.601 7.916 8.406 1.00 54.41 H new ATOM 0 HG2 LYS A 77 5.486 9.070 7.353 1.00 71.21 H new ATOM 0 HG3 LYS A 77 4.660 8.093 6.157 1.00 71.21 H new ATOM 0 HD2 LYS A 77 3.461 10.145 5.324 1.00 51.54 H new ATOM 0 HD3 LYS A 77 4.317 11.115 6.505 1.00 51.54 H new ATOM 0 HE2 LYS A 77 6.491 10.513 5.447 1.00 71.21 H new ATOM 0 HE3 LYS A 77 5.657 9.501 4.285 1.00 71.21 H new ATOM 0 HZ1 LYS A 77 6.179 11.660 3.352 1.00 71.43 H new ATOM 0 HZ2 LYS A 77 4.495 11.463 3.451 1.00 71.43 H new ATOM 0 HZ3 LYS A 77 5.303 12.444 4.577 1.00 71.43 H new ATOM 1328 N VAL A 78 1.269 7.401 5.080 1.00 54.05 N ATOM 1329 CA VAL A 78 1.072 6.292 4.140 1.00 44.12 C ATOM 1330 C VAL A 78 1.959 6.459 2.899 1.00 20.44 C ATOM 1331 O VAL A 78 1.953 7.516 2.250 1.00 64.20 O ATOM 1332 CB VAL A 78 -0.439 6.187 3.718 1.00 42.22 C ATOM 1333 CG1 VAL A 78 -0.679 5.065 2.679 1.00 1.44 C ATOM 1334 CG2 VAL A 78 -1.323 5.989 4.967 1.00 51.41 C ATOM 0 H VAL A 78 0.792 8.259 4.802 1.00 54.05 H new ATOM 0 HA VAL A 78 1.359 5.370 4.644 1.00 44.12 H new ATOM 0 HB VAL A 78 -0.716 7.123 3.234 1.00 42.22 H new ATOM 0 HG11 VAL A 78 -1.737 5.031 2.418 1.00 1.44 H new ATOM 0 HG12 VAL A 78 -0.091 5.266 1.784 1.00 1.44 H new ATOM 0 HG13 VAL A 78 -0.379 4.107 3.103 1.00 1.44 H new ATOM 0 HG21 VAL A 78 -2.368 5.917 4.665 1.00 51.41 H new ATOM 0 HG22 VAL A 78 -1.029 5.073 5.479 1.00 51.41 H new ATOM 0 HG23 VAL A 78 -1.197 6.837 5.640 1.00 51.41 H new ATOM 1344 N PHE A 79 2.731 5.408 2.600 1.00 13.20 N ATOM 1345 CA PHE A 79 3.477 5.277 1.354 1.00 15.13 C ATOM 1346 C PHE A 79 2.711 4.284 0.467 1.00 44.05 C ATOM 1347 O PHE A 79 2.595 3.107 0.816 1.00 22.30 O ATOM 1348 CB PHE A 79 4.898 4.738 1.646 1.00 51.24 C ATOM 1349 CG PHE A 79 5.782 5.644 2.504 1.00 41.14 C ATOM 1350 CD1 PHE A 79 5.694 5.634 3.901 1.00 72.01 C ATOM 1351 CD2 PHE A 79 6.717 6.492 1.918 1.00 64.33 C ATOM 1352 CE1 PHE A 79 6.507 6.442 4.667 1.00 64.11 C ATOM 1353 CE2 PHE A 79 7.527 7.297 2.689 1.00 55.22 C ATOM 1354 CZ PHE A 79 7.424 7.269 4.061 1.00 5.15 C ATOM 0 H PHE A 79 2.853 4.615 3.230 1.00 13.20 H new ATOM 0 HA PHE A 79 3.575 6.242 0.857 1.00 15.13 H new ATOM 0 HB2 PHE A 79 4.806 3.772 2.143 1.00 51.24 H new ATOM 0 HB3 PHE A 79 5.403 4.561 0.696 1.00 51.24 H new ATOM 0 HD1 PHE A 79 4.980 4.985 4.385 1.00 72.01 H new ATOM 0 HD2 PHE A 79 6.809 6.520 0.842 1.00 64.33 H new ATOM 0 HE1 PHE A 79 6.424 6.426 5.744 1.00 64.11 H new ATOM 0 HE2 PHE A 79 8.244 7.951 2.216 1.00 55.22 H new ATOM 0 HZ PHE A 79 8.064 7.897 4.663 1.00 5.15 H new ATOM 1364 N LEU A 80 2.184 4.763 -0.662 1.00 30.31 N ATOM 1365 CA LEU A 80 1.368 3.949 -1.579 1.00 4.33 C ATOM 1366 C LEU A 80 2.183 3.502 -2.811 1.00 74.13 C ATOM 1367 O LEU A 80 2.768 4.323 -3.513 1.00 43.02 O ATOM 1368 CB LEU A 80 0.107 4.744 -2.014 1.00 1.23 C ATOM 1369 CG LEU A 80 -0.824 4.053 -3.072 1.00 21.02 C ATOM 1370 CD1 LEU A 80 -1.271 2.649 -2.623 1.00 24.24 C ATOM 1371 CD2 LEU A 80 -2.041 4.940 -3.400 1.00 73.43 C ATOM 0 H LEU A 80 2.309 5.727 -0.971 1.00 30.31 H new ATOM 0 HA LEU A 80 1.054 3.049 -1.050 1.00 4.33 H new ATOM 0 HB2 LEU A 80 -0.486 4.957 -1.125 1.00 1.23 H new ATOM 0 HB3 LEU A 80 0.431 5.703 -2.418 1.00 1.23 H new ATOM 0 HG LEU A 80 -0.236 3.927 -3.981 1.00 21.02 H new ATOM 0 HD11 LEU A 80 -1.913 2.210 -3.387 1.00 24.24 H new ATOM 0 HD12 LEU A 80 -0.395 2.017 -2.479 1.00 24.24 H new ATOM 0 HD13 LEU A 80 -1.822 2.725 -1.685 1.00 24.24 H new ATOM 0 HD21 LEU A 80 -2.670 4.438 -4.135 1.00 73.43 H new ATOM 0 HD22 LEU A 80 -2.617 5.118 -2.492 1.00 73.43 H new ATOM 0 HD23 LEU A 80 -1.699 5.892 -3.805 1.00 73.43 H new ATOM 1383 N LEU A 81 2.231 2.182 -3.044 1.00 52.53 N ATOM 1384 CA LEU A 81 2.737 1.598 -4.291 1.00 42.51 C ATOM 1385 C LEU A 81 1.552 1.078 -5.106 1.00 20.01 C ATOM 1386 O LEU A 81 0.768 0.260 -4.624 1.00 74.23 O ATOM 1387 CB LEU A 81 3.737 0.438 -4.023 1.00 71.33 C ATOM 1388 CG LEU A 81 4.328 -0.253 -5.301 1.00 72.43 C ATOM 1389 CD1 LEU A 81 5.009 0.772 -6.229 1.00 33.34 C ATOM 1390 CD2 LEU A 81 5.287 -1.398 -4.925 1.00 11.42 C ATOM 0 H LEU A 81 1.917 1.487 -2.367 1.00 52.53 H new ATOM 0 HA LEU A 81 3.273 2.371 -4.841 1.00 42.51 H new ATOM 0 HB2 LEU A 81 4.563 0.824 -3.425 1.00 71.33 H new ATOM 0 HB3 LEU A 81 3.235 -0.319 -3.421 1.00 71.33 H new ATOM 0 HG LEU A 81 3.497 -0.691 -5.853 1.00 72.43 H new ATOM 0 HD11 LEU A 81 5.408 0.261 -7.105 1.00 33.34 H new ATOM 0 HD12 LEU A 81 4.280 1.518 -6.545 1.00 33.34 H new ATOM 0 HD13 LEU A 81 5.822 1.263 -5.694 1.00 33.34 H new ATOM 0 HD21 LEU A 81 5.680 -1.857 -5.833 1.00 11.42 H new ATOM 0 HD22 LEU A 81 6.112 -1.002 -4.332 1.00 11.42 H new ATOM 0 HD23 LEU A 81 4.749 -2.147 -4.344 1.00 11.42 H new ATOM 1402 N LEU A 82 1.416 1.588 -6.326 1.00 60.41 N ATOM 1403 CA LEU A 82 0.453 1.107 -7.310 1.00 0.41 C ATOM 1404 C LEU A 82 1.204 0.327 -8.412 1.00 73.21 C ATOM 1405 O LEU A 82 2.003 0.895 -9.161 1.00 41.20 O ATOM 1406 CB LEU A 82 -0.323 2.312 -7.915 1.00 73.10 C ATOM 1407 CG LEU A 82 -1.302 3.061 -6.955 1.00 73.34 C ATOM 1408 CD1 LEU A 82 -1.955 4.284 -7.641 1.00 14.42 C ATOM 1409 CD2 LEU A 82 -2.375 2.105 -6.402 1.00 14.24 C ATOM 0 H LEU A 82 1.985 2.364 -6.665 1.00 60.41 H new ATOM 0 HA LEU A 82 -0.267 0.441 -6.835 1.00 0.41 H new ATOM 0 HB2 LEU A 82 0.404 3.032 -8.291 1.00 73.10 H new ATOM 0 HB3 LEU A 82 -0.892 1.955 -8.773 1.00 73.10 H new ATOM 0 HG LEU A 82 -0.712 3.432 -6.117 1.00 73.34 H new ATOM 0 HD11 LEU A 82 -2.629 4.777 -6.940 1.00 14.42 H new ATOM 0 HD12 LEU A 82 -1.179 4.984 -7.953 1.00 14.42 H new ATOM 0 HD13 LEU A 82 -2.518 3.954 -8.514 1.00 14.42 H new ATOM 0 HD21 LEU A 82 -3.043 2.653 -5.737 1.00 14.24 H new ATOM 0 HD22 LEU A 82 -2.949 1.686 -7.228 1.00 14.24 H new ATOM 0 HD23 LEU A 82 -1.894 1.299 -5.849 1.00 14.24 H new ATOM 1421 N GLN A 83 0.954 -0.987 -8.459 1.00 24.10 N ATOM 1422 CA GLN A 83 1.426 -1.890 -9.515 1.00 55.11 C ATOM 1423 C GLN A 83 0.202 -2.296 -10.346 1.00 1.34 C ATOM 1424 O GLN A 83 -0.732 -2.917 -9.815 1.00 4.42 O ATOM 1425 CB GLN A 83 2.141 -3.153 -8.909 1.00 22.12 C ATOM 1426 CG GLN A 83 2.905 -4.041 -9.941 1.00 4.24 C ATOM 1427 CD GLN A 83 2.009 -4.934 -10.829 1.00 0.20 C ATOM 1428 OE1 GLN A 83 0.980 -5.457 -10.391 1.00 25.02 O ATOM 1429 NE2 GLN A 83 2.364 -5.064 -12.097 1.00 51.51 N ATOM 0 H GLN A 83 0.403 -1.464 -7.745 1.00 24.10 H new ATOM 0 HA GLN A 83 2.164 -1.388 -10.140 1.00 55.11 H new ATOM 0 HB2 GLN A 83 2.846 -2.821 -8.147 1.00 22.12 H new ATOM 0 HB3 GLN A 83 1.394 -3.768 -8.407 1.00 22.12 H new ATOM 0 HG2 GLN A 83 3.498 -3.393 -10.586 1.00 4.24 H new ATOM 0 HG3 GLN A 83 3.605 -4.679 -9.400 1.00 4.24 H new ATOM 0 HE21 GLN A 83 3.219 -4.622 -12.435 1.00 51.51 H new ATOM 0 HE22 GLN A 83 1.783 -5.606 -12.736 1.00 51.51 H new ATOM 1438 N ASP A 84 0.209 -1.940 -11.633 1.00 34.24 N ATOM 1439 CA ASP A 84 -0.863 -2.314 -12.570 1.00 24.22 C ATOM 1440 C ASP A 84 -0.307 -2.335 -13.995 1.00 50.01 C ATOM 1441 O ASP A 84 0.667 -1.637 -14.300 1.00 45.12 O ATOM 1442 CB ASP A 84 -2.054 -1.328 -12.442 1.00 4.41 C ATOM 1443 CG ASP A 84 -3.306 -1.763 -13.223 1.00 22.24 C ATOM 1444 OD1 ASP A 84 -4.037 -2.652 -12.735 1.00 11.32 O ATOM 1445 OD2 ASP A 84 -3.574 -1.211 -14.313 1.00 73.35 O ATOM 0 H ASP A 84 0.953 -1.386 -12.057 1.00 34.24 H new ATOM 0 HA ASP A 84 -1.232 -3.311 -12.328 1.00 24.22 H new ATOM 0 HB2 ASP A 84 -2.313 -1.221 -11.389 1.00 4.41 H new ATOM 0 HB3 ASP A 84 -1.740 -0.346 -12.795 1.00 4.41 H new ATOM 1450 N GLN A 85 -0.932 -3.138 -14.857 1.00 1.04 N ATOM 1451 CA GLN A 85 -0.435 -3.410 -16.214 1.00 52.01 C ATOM 1452 C GLN A 85 -0.966 -2.367 -17.226 1.00 61.44 C ATOM 1453 O GLN A 85 -0.394 -2.197 -18.307 1.00 31.12 O ATOM 1454 CB GLN A 85 -0.860 -4.854 -16.610 1.00 22.34 C ATOM 1455 CG GLN A 85 -0.452 -5.936 -15.574 1.00 65.12 C ATOM 1456 CD GLN A 85 -0.984 -7.337 -15.904 1.00 24.31 C ATOM 1457 OE1 GLN A 85 -0.325 -8.130 -16.579 1.00 62.34 O ATOM 1458 NE2 GLN A 85 -2.183 -7.651 -15.436 1.00 54.23 N ATOM 0 H GLN A 85 -1.802 -3.622 -14.636 1.00 1.04 H new ATOM 0 HA GLN A 85 0.652 -3.332 -16.230 1.00 52.01 H new ATOM 0 HB2 GLN A 85 -1.942 -4.881 -16.742 1.00 22.34 H new ATOM 0 HB3 GLN A 85 -0.415 -5.102 -17.574 1.00 22.34 H new ATOM 0 HG2 GLN A 85 0.636 -5.975 -15.512 1.00 65.12 H new ATOM 0 HG3 GLN A 85 -0.817 -5.641 -14.590 1.00 65.12 H new ATOM 0 HE21 GLN A 85 -2.706 -6.975 -14.880 1.00 54.23 H new ATOM 0 HE22 GLN A 85 -2.583 -8.569 -15.632 1.00 54.23 H new ATOM 1467 N ASP A 86 -2.065 -1.676 -16.858 1.00 34.43 N ATOM 1468 CA ASP A 86 -2.677 -0.602 -17.669 1.00 51.20 C ATOM 1469 C ASP A 86 -2.421 0.751 -16.975 1.00 61.23 C ATOM 1470 O ASP A 86 -3.254 1.243 -16.197 1.00 62.21 O ATOM 1471 CB ASP A 86 -4.202 -0.856 -17.855 1.00 35.52 C ATOM 1472 CG ASP A 86 -4.504 -2.193 -18.547 1.00 10.43 C ATOM 1473 OD1 ASP A 86 -4.356 -2.284 -19.788 1.00 20.20 O ATOM 1474 OD2 ASP A 86 -4.889 -3.165 -17.855 1.00 74.23 O ATOM 0 H ASP A 86 -2.557 -1.849 -15.982 1.00 34.43 H new ATOM 0 HA ASP A 86 -2.226 -0.588 -18.661 1.00 51.20 H new ATOM 0 HB2 ASP A 86 -4.690 -0.839 -16.880 1.00 35.52 H new ATOM 0 HB3 ASP A 86 -4.632 -0.044 -18.441 1.00 35.52 H new ATOM 1479 N GLU A 87 -1.246 1.342 -17.257 1.00 60.31 N ATOM 1480 CA GLU A 87 -0.724 2.500 -16.504 1.00 65.31 C ATOM 1481 C GLU A 87 -1.303 3.858 -16.934 1.00 3.43 C ATOM 1482 O GLU A 87 -1.096 4.850 -16.224 1.00 41.22 O ATOM 1483 CB GLU A 87 0.816 2.534 -16.551 1.00 33.13 C ATOM 1484 CG GLU A 87 1.492 1.416 -15.727 1.00 63.21 C ATOM 1485 CD GLU A 87 2.954 1.741 -15.370 1.00 52.45 C ATOM 1486 OE1 GLU A 87 3.773 1.904 -16.298 1.00 20.11 O ATOM 1487 OE2 GLU A 87 3.272 1.894 -14.167 1.00 11.11 O ATOM 0 H GLU A 87 -0.632 1.033 -18.011 1.00 60.31 H new ATOM 0 HA GLU A 87 -1.061 2.349 -15.478 1.00 65.31 H new ATOM 0 HB2 GLU A 87 1.140 2.454 -17.589 1.00 33.13 H new ATOM 0 HB3 GLU A 87 1.160 3.501 -16.184 1.00 33.13 H new ATOM 0 HG2 GLU A 87 0.926 1.254 -14.810 1.00 63.21 H new ATOM 0 HG3 GLU A 87 1.459 0.484 -16.291 1.00 63.21 H new ATOM 1494 N ASN A 88 -2.012 3.913 -18.077 1.00 72.34 N ATOM 1495 CA ASN A 88 -2.684 5.158 -18.528 1.00 32.32 C ATOM 1496 C ASN A 88 -3.891 5.428 -17.622 1.00 14.31 C ATOM 1497 O ASN A 88 -4.115 6.562 -17.176 1.00 54.11 O ATOM 1498 CB ASN A 88 -3.128 5.061 -20.011 1.00 55.23 C ATOM 1499 CG ASN A 88 -1.969 4.742 -20.951 1.00 0.13 C ATOM 1500 OD1 ASN A 88 -1.678 3.576 -21.228 1.00 21.22 O ATOM 1501 ND2 ASN A 88 -1.267 5.769 -21.416 1.00 73.22 N ATOM 0 H ASN A 88 -2.137 3.119 -18.705 1.00 72.34 H new ATOM 0 HA ASN A 88 -1.976 5.984 -18.458 1.00 32.32 H new ATOM 0 HB2 ASN A 88 -3.892 4.290 -20.108 1.00 55.23 H new ATOM 0 HB3 ASN A 88 -3.586 6.003 -20.312 1.00 55.23 H new ATOM 0 HD21 ASN A 88 -0.462 5.605 -22.020 1.00 73.22 H new ATOM 0 HD22 ASN A 88 -1.533 6.722 -21.169 1.00 73.22 H new ATOM 1508 N GLU A 89 -4.639 4.345 -17.337 1.00 31.44 N ATOM 1509 CA GLU A 89 -5.793 4.371 -16.422 1.00 1.04 C ATOM 1510 C GLU A 89 -5.300 4.562 -14.977 1.00 32.33 C ATOM 1511 O GLU A 89 -5.903 5.305 -14.190 1.00 75.35 O ATOM 1512 CB GLU A 89 -6.619 3.056 -16.539 1.00 24.32 C ATOM 1513 CG GLU A 89 -6.899 2.597 -17.988 1.00 2.15 C ATOM 1514 CD GLU A 89 -7.491 3.699 -18.889 1.00 2.52 C ATOM 1515 OE1 GLU A 89 -8.658 4.097 -18.672 1.00 53.30 O ATOM 1516 OE2 GLU A 89 -6.793 4.175 -19.819 1.00 74.44 O ATOM 0 H GLU A 89 -4.458 3.424 -17.737 1.00 31.44 H new ATOM 0 HA GLU A 89 -6.440 5.204 -16.696 1.00 1.04 H new ATOM 0 HB2 GLU A 89 -6.087 2.261 -16.017 1.00 24.32 H new ATOM 0 HB3 GLU A 89 -7.571 3.194 -16.025 1.00 24.32 H new ATOM 0 HG2 GLU A 89 -5.970 2.239 -18.431 1.00 2.15 H new ATOM 0 HG3 GLU A 89 -7.587 1.752 -17.964 1.00 2.15 H new ATOM 1523 N LEU A 90 -4.167 3.891 -14.663 1.00 2.20 N ATOM 1524 CA LEU A 90 -3.549 3.922 -13.327 1.00 32.34 C ATOM 1525 C LEU A 90 -3.072 5.338 -12.942 1.00 41.45 C ATOM 1526 O LEU A 90 -3.177 5.727 -11.779 1.00 4.43 O ATOM 1527 CB LEU A 90 -2.360 2.924 -13.256 1.00 30.14 C ATOM 1528 CG LEU A 90 -1.646 2.826 -11.873 1.00 11.51 C ATOM 1529 CD1 LEU A 90 -2.629 2.363 -10.785 1.00 51.44 C ATOM 1530 CD2 LEU A 90 -0.384 1.931 -11.936 1.00 51.43 C ATOM 0 H LEU A 90 -3.659 3.314 -15.333 1.00 2.20 H new ATOM 0 HA LEU A 90 -4.315 3.624 -12.611 1.00 32.34 H new ATOM 0 HB2 LEU A 90 -2.724 1.933 -13.528 1.00 30.14 H new ATOM 0 HB3 LEU A 90 -1.623 3.210 -14.006 1.00 30.14 H new ATOM 0 HG LEU A 90 -1.301 3.824 -11.604 1.00 11.51 H new ATOM 0 HD11 LEU A 90 -2.110 2.301 -9.828 1.00 51.44 H new ATOM 0 HD12 LEU A 90 -3.449 3.077 -10.708 1.00 51.44 H new ATOM 0 HD13 LEU A 90 -3.026 1.382 -11.047 1.00 51.44 H new ATOM 0 HD21 LEU A 90 0.083 1.890 -10.952 1.00 51.43 H new ATOM 0 HD22 LEU A 90 -0.667 0.925 -12.246 1.00 51.43 H new ATOM 0 HD23 LEU A 90 0.322 2.347 -12.655 1.00 51.43 H new ATOM 1542 N GLU A 91 -2.548 6.097 -13.926 1.00 0.22 N ATOM 1543 CA GLU A 91 -1.987 7.441 -13.683 1.00 51.44 C ATOM 1544 C GLU A 91 -3.095 8.462 -13.392 1.00 41.34 C ATOM 1545 O GLU A 91 -2.920 9.346 -12.539 1.00 2.25 O ATOM 1546 CB GLU A 91 -1.093 7.882 -14.870 1.00 24.15 C ATOM 1547 CG GLU A 91 -0.398 9.254 -14.664 1.00 52.50 C ATOM 1548 CD GLU A 91 0.985 9.332 -15.324 1.00 3.03 C ATOM 1549 OE1 GLU A 91 1.083 9.726 -16.508 1.00 65.10 O ATOM 1550 OE2 GLU A 91 1.986 9.000 -14.651 1.00 23.53 O ATOM 0 H GLU A 91 -2.502 5.800 -14.901 1.00 0.22 H new ATOM 0 HA GLU A 91 -1.357 7.394 -12.795 1.00 51.44 H new ATOM 0 HB2 GLU A 91 -0.330 7.122 -15.038 1.00 24.15 H new ATOM 0 HB3 GLU A 91 -1.702 7.927 -15.773 1.00 24.15 H new ATOM 0 HG2 GLU A 91 -1.033 10.041 -15.070 1.00 52.50 H new ATOM 0 HG3 GLU A 91 -0.296 9.446 -13.596 1.00 52.50 H new ATOM 1557 N GLU A 92 -4.233 8.313 -14.091 1.00 12.43 N ATOM 1558 CA GLU A 92 -5.428 9.149 -13.866 1.00 51.34 C ATOM 1559 C GLU A 92 -6.011 8.935 -12.458 1.00 51.35 C ATOM 1560 O GLU A 92 -6.561 9.856 -11.853 1.00 24.44 O ATOM 1561 CB GLU A 92 -6.490 8.858 -14.947 1.00 32.32 C ATOM 1562 CG GLU A 92 -6.028 9.181 -16.380 1.00 65.32 C ATOM 1563 CD GLU A 92 -5.678 10.664 -16.586 1.00 40.12 C ATOM 1564 OE1 GLU A 92 -6.591 11.460 -16.899 1.00 11.10 O ATOM 1565 OE2 GLU A 92 -4.502 11.051 -16.412 1.00 75.23 O ATOM 0 H GLU A 92 -4.352 7.614 -14.824 1.00 12.43 H new ATOM 0 HA GLU A 92 -5.127 10.194 -13.938 1.00 51.34 H new ATOM 0 HB2 GLU A 92 -6.769 7.806 -14.894 1.00 32.32 H new ATOM 0 HB3 GLU A 92 -7.387 9.437 -14.726 1.00 32.32 H new ATOM 0 HG2 GLU A 92 -5.156 8.572 -16.619 1.00 65.32 H new ATOM 0 HG3 GLU A 92 -6.815 8.900 -17.080 1.00 65.32 H new ATOM 1572 N PHE A 93 -5.859 7.708 -11.959 1.00 14.32 N ATOM 1573 CA PHE A 93 -6.283 7.309 -10.615 1.00 63.21 C ATOM 1574 C PHE A 93 -5.252 7.770 -9.552 1.00 13.44 C ATOM 1575 O PHE A 93 -5.631 8.196 -8.456 1.00 64.10 O ATOM 1576 CB PHE A 93 -6.466 5.770 -10.623 1.00 71.51 C ATOM 1577 CG PHE A 93 -6.927 5.150 -9.314 1.00 31.22 C ATOM 1578 CD1 PHE A 93 -8.112 5.566 -8.708 1.00 42.01 C ATOM 1579 CD2 PHE A 93 -6.191 4.130 -8.702 1.00 51.30 C ATOM 1580 CE1 PHE A 93 -8.543 4.986 -7.534 1.00 62.23 C ATOM 1581 CE2 PHE A 93 -6.624 3.554 -7.530 1.00 72.11 C ATOM 1582 CZ PHE A 93 -7.801 3.983 -6.946 1.00 3.54 C ATOM 0 H PHE A 93 -5.430 6.948 -12.487 1.00 14.32 H new ATOM 0 HA PHE A 93 -7.226 7.786 -10.347 1.00 63.21 H new ATOM 0 HB2 PHE A 93 -7.188 5.513 -11.398 1.00 71.51 H new ATOM 0 HB3 PHE A 93 -5.518 5.312 -10.906 1.00 71.51 H new ATOM 0 HD1 PHE A 93 -8.698 6.351 -9.163 1.00 42.01 H new ATOM 0 HD2 PHE A 93 -5.271 3.790 -9.155 1.00 51.30 H new ATOM 0 HE1 PHE A 93 -9.462 5.317 -7.074 1.00 62.23 H new ATOM 0 HE2 PHE A 93 -6.045 2.768 -7.067 1.00 72.11 H new ATOM 0 HZ PHE A 93 -8.141 3.531 -6.026 1.00 3.54 H new ATOM 1592 N LYS A 94 -3.948 7.709 -9.920 1.00 42.00 N ATOM 1593 CA LYS A 94 -2.823 8.086 -9.038 1.00 51.00 C ATOM 1594 C LYS A 94 -2.894 9.559 -8.639 1.00 51.55 C ATOM 1595 O LYS A 94 -2.908 9.869 -7.458 1.00 15.23 O ATOM 1596 CB LYS A 94 -1.453 7.822 -9.732 1.00 54.23 C ATOM 1597 CG LYS A 94 -0.237 8.463 -9.003 1.00 75.52 C ATOM 1598 CD LYS A 94 1.096 8.282 -9.738 1.00 10.02 C ATOM 1599 CE LYS A 94 1.131 8.969 -11.118 1.00 43.42 C ATOM 1600 NZ LYS A 94 1.073 10.453 -11.036 1.00 32.44 N ATOM 0 H LYS A 94 -3.649 7.395 -10.843 1.00 42.00 H new ATOM 0 HA LYS A 94 -2.905 7.468 -8.144 1.00 51.00 H new ATOM 0 HB2 LYS A 94 -1.295 6.746 -9.802 1.00 54.23 H new ATOM 0 HB3 LYS A 94 -1.495 8.205 -10.752 1.00 54.23 H new ATOM 0 HG2 LYS A 94 -0.426 9.528 -8.871 1.00 75.52 H new ATOM 0 HG3 LYS A 94 -0.153 8.028 -8.007 1.00 75.52 H new ATOM 0 HD2 LYS A 94 1.900 8.682 -9.121 1.00 10.02 H new ATOM 0 HD3 LYS A 94 1.291 7.217 -9.865 1.00 10.02 H new ATOM 0 HE2 LYS A 94 2.042 8.676 -11.639 1.00 43.42 H new ATOM 0 HE3 LYS A 94 0.293 8.612 -11.716 1.00 43.42 H new ATOM 0 HZ1 LYS A 94 0.232 10.796 -11.543 1.00 32.44 H new ATOM 0 HZ2 LYS A 94 1.019 10.744 -10.039 1.00 32.44 H new ATOM 0 HZ3 LYS A 94 1.927 10.858 -11.469 1.00 32.44 H new ATOM 1614 N ARG A 95 -2.945 10.442 -9.661 1.00 74.30 N ATOM 1615 CA ARG A 95 -2.822 11.909 -9.499 1.00 30.41 C ATOM 1616 C ARG A 95 -3.885 12.495 -8.540 1.00 51.25 C ATOM 1617 O ARG A 95 -3.674 13.553 -7.945 1.00 2.42 O ATOM 1618 CB ARG A 95 -2.874 12.589 -10.892 1.00 42.34 C ATOM 1619 CG ARG A 95 -4.182 12.344 -11.678 1.00 71.55 C ATOM 1620 CD ARG A 95 -4.129 12.913 -13.106 1.00 13.14 C ATOM 1621 NE ARG A 95 -5.381 12.670 -13.853 1.00 3.52 N ATOM 1622 CZ ARG A 95 -6.371 13.559 -14.017 1.00 73.50 C ATOM 1623 NH1 ARG A 95 -6.288 14.776 -13.493 1.00 2.54 N ATOM 1624 NH2 ARG A 95 -7.434 13.232 -14.737 1.00 12.15 N ATOM 0 H ARG A 95 -3.074 10.154 -10.631 1.00 74.30 H new ATOM 0 HA ARG A 95 -1.858 12.117 -9.034 1.00 30.41 H new ATOM 0 HB2 ARG A 95 -2.739 13.663 -10.763 1.00 42.34 H new ATOM 0 HB3 ARG A 95 -2.035 12.231 -11.488 1.00 42.34 H new ATOM 0 HG2 ARG A 95 -4.378 11.273 -11.725 1.00 71.55 H new ATOM 0 HG3 ARG A 95 -5.015 12.798 -11.141 1.00 71.55 H new ATOM 0 HD2 ARG A 95 -3.938 13.985 -13.061 1.00 13.14 H new ATOM 0 HD3 ARG A 95 -3.294 12.463 -13.644 1.00 13.14 H new ATOM 0 HE ARG A 95 -5.502 11.751 -14.278 1.00 3.52 H new ATOM 0 HH11 ARG A 95 -5.463 15.045 -12.957 1.00 2.54 H new ATOM 0 HH12 ARG A 95 -7.049 15.442 -13.626 1.00 2.54 H new ATOM 0 HH21 ARG A 95 -7.496 12.308 -15.163 1.00 12.15 H new ATOM 0 HH22 ARG A 95 -8.190 13.905 -14.865 1.00 12.15 H new ATOM 1638 N LYS A 96 -5.011 11.776 -8.402 1.00 34.31 N ATOM 1639 CA LYS A 96 -6.093 12.101 -7.456 1.00 24.50 C ATOM 1640 C LYS A 96 -5.634 11.870 -5.996 1.00 21.41 C ATOM 1641 O LYS A 96 -5.750 12.756 -5.144 1.00 62.44 O ATOM 1642 CB LYS A 96 -7.322 11.213 -7.785 1.00 52.12 C ATOM 1643 CG LYS A 96 -7.883 11.425 -9.208 1.00 22.24 C ATOM 1644 CD LYS A 96 -9.112 10.531 -9.481 1.00 73.10 C ATOM 1645 CE LYS A 96 -9.708 10.752 -10.876 1.00 34.34 C ATOM 1646 NZ LYS A 96 -10.956 9.963 -11.066 1.00 62.25 N ATOM 0 H LYS A 96 -5.199 10.939 -8.953 1.00 34.31 H new ATOM 0 HA LYS A 96 -6.360 13.153 -7.556 1.00 24.50 H new ATOM 0 HB2 LYS A 96 -7.044 10.166 -7.667 1.00 52.12 H new ATOM 0 HB3 LYS A 96 -8.110 11.417 -7.060 1.00 52.12 H new ATOM 0 HG2 LYS A 96 -8.159 12.471 -9.337 1.00 22.24 H new ATOM 0 HG3 LYS A 96 -7.106 11.208 -9.941 1.00 22.24 H new ATOM 0 HD2 LYS A 96 -8.826 9.485 -9.375 1.00 73.10 H new ATOM 0 HD3 LYS A 96 -9.875 10.731 -8.729 1.00 73.10 H new ATOM 0 HE2 LYS A 96 -9.921 11.812 -11.019 1.00 34.34 H new ATOM 0 HE3 LYS A 96 -8.978 10.469 -11.634 1.00 34.34 H new ATOM 0 HZ1 LYS A 96 -11.334 10.135 -12.020 1.00 62.25 H new ATOM 0 HZ2 LYS A 96 -10.747 8.950 -10.954 1.00 62.25 H new ATOM 0 HZ3 LYS A 96 -11.660 10.252 -10.357 1.00 62.25 H new ATOM 1660 N ILE A 97 -5.093 10.666 -5.756 1.00 52.32 N ATOM 1661 CA ILE A 97 -4.588 10.213 -4.438 1.00 22.43 C ATOM 1662 C ILE A 97 -3.333 11.024 -4.022 1.00 44.22 C ATOM 1663 O ILE A 97 -3.160 11.412 -2.869 1.00 25.31 O ATOM 1664 CB ILE A 97 -4.205 8.686 -4.517 1.00 55.44 C ATOM 1665 CG1 ILE A 97 -5.390 7.841 -5.094 1.00 51.13 C ATOM 1666 CG2 ILE A 97 -3.758 8.154 -3.138 1.00 20.32 C ATOM 1667 CD1 ILE A 97 -5.020 6.414 -5.477 1.00 31.33 C ATOM 0 H ILE A 97 -4.989 9.960 -6.485 1.00 52.32 H new ATOM 0 HA ILE A 97 -5.373 10.368 -3.698 1.00 22.43 H new ATOM 0 HB ILE A 97 -3.361 8.586 -5.200 1.00 55.44 H new ATOM 0 HG12 ILE A 97 -6.191 7.809 -4.355 1.00 51.13 H new ATOM 0 HG13 ILE A 97 -5.787 8.348 -5.973 1.00 51.13 H new ATOM 0 HG21 ILE A 97 -3.500 7.098 -3.222 1.00 20.32 H new ATOM 0 HG22 ILE A 97 -2.888 8.715 -2.796 1.00 20.32 H new ATOM 0 HG23 ILE A 97 -4.571 8.273 -2.421 1.00 20.32 H new ATOM 0 HD11 ILE A 97 -5.900 5.902 -5.867 1.00 31.33 H new ATOM 0 HD12 ILE A 97 -4.243 6.432 -6.241 1.00 31.33 H new ATOM 0 HD13 ILE A 97 -4.652 5.885 -4.598 1.00 31.33 H new ATOM 1679 N GLU A 98 -2.498 11.290 -5.027 1.00 14.21 N ATOM 1680 CA GLU A 98 -1.206 11.977 -4.894 1.00 72.24 C ATOM 1681 C GLU A 98 -1.406 13.460 -4.535 1.00 41.12 C ATOM 1682 O GLU A 98 -0.580 14.054 -3.828 1.00 55.11 O ATOM 1683 CB GLU A 98 -0.450 11.796 -6.233 1.00 4.33 C ATOM 1684 CG GLU A 98 0.877 12.568 -6.381 1.00 55.50 C ATOM 1685 CD GLU A 98 1.605 12.286 -7.711 1.00 2.51 C ATOM 1686 OE1 GLU A 98 0.931 11.980 -8.724 1.00 10.13 O ATOM 1687 OE2 GLU A 98 2.853 12.360 -7.753 1.00 25.32 O ATOM 0 H GLU A 98 -2.706 11.026 -5.990 1.00 14.21 H new ATOM 0 HA GLU A 98 -0.619 11.550 -4.081 1.00 72.24 H new ATOM 0 HB2 GLU A 98 -0.244 10.734 -6.368 1.00 4.33 H new ATOM 0 HB3 GLU A 98 -1.113 12.098 -7.043 1.00 4.33 H new ATOM 0 HG2 GLU A 98 0.677 13.637 -6.304 1.00 55.50 H new ATOM 0 HG3 GLU A 98 1.535 12.306 -5.553 1.00 55.50 H new ATOM 1694 N SER A 99 -2.537 14.026 -4.989 1.00 34.03 N ATOM 1695 CA SER A 99 -2.921 15.418 -4.699 1.00 62.55 C ATOM 1696 C SER A 99 -3.407 15.565 -3.230 1.00 42.05 C ATOM 1697 O SER A 99 -3.416 16.672 -2.678 1.00 73.12 O ATOM 1698 CB SER A 99 -4.017 15.865 -5.698 1.00 32.24 C ATOM 1699 OG SER A 99 -4.330 17.246 -5.568 1.00 61.25 O ATOM 0 H SER A 99 -3.213 13.529 -5.569 1.00 34.03 H new ATOM 0 HA SER A 99 -2.050 16.062 -4.817 1.00 62.55 H new ATOM 0 HB2 SER A 99 -3.683 15.664 -6.716 1.00 32.24 H new ATOM 0 HB3 SER A 99 -4.918 15.273 -5.536 1.00 32.24 H new ATOM 0 HG SER A 99 -5.024 17.487 -6.217 1.00 61.25 H new ATOM 1705 N GLN A 100 -3.791 14.426 -2.605 1.00 50.22 N ATOM 1706 CA GLN A 100 -4.262 14.374 -1.195 1.00 33.14 C ATOM 1707 C GLN A 100 -3.088 14.235 -0.197 1.00 31.24 C ATOM 1708 O GLN A 100 -3.311 14.169 1.020 1.00 51.52 O ATOM 1709 CB GLN A 100 -5.261 13.196 -1.020 1.00 61.32 C ATOM 1710 CG GLN A 100 -6.478 13.259 -1.962 1.00 50.42 C ATOM 1711 CD GLN A 100 -7.365 12.011 -1.915 1.00 42.23 C ATOM 1712 OE1 GLN A 100 -7.493 11.351 -0.885 1.00 41.31 O ATOM 1713 NE2 GLN A 100 -7.981 11.682 -3.041 1.00 11.42 N ATOM 0 H GLN A 100 -3.784 13.515 -3.063 1.00 50.22 H new ATOM 0 HA GLN A 100 -4.764 15.316 -0.974 1.00 33.14 H new ATOM 0 HB2 GLN A 100 -4.733 12.258 -1.188 1.00 61.32 H new ATOM 0 HB3 GLN A 100 -5.614 13.183 0.011 1.00 61.32 H new ATOM 0 HG2 GLN A 100 -7.080 14.130 -1.704 1.00 50.42 H new ATOM 0 HG3 GLN A 100 -6.127 13.405 -2.984 1.00 50.42 H new ATOM 0 HE21 GLN A 100 -7.853 12.251 -3.878 1.00 11.42 H new ATOM 0 HE22 GLN A 100 -8.583 10.859 -3.071 1.00 11.42 H new ATOM 1722 N GLY A 101 -1.844 14.188 -0.718 1.00 30.03 N ATOM 1723 CA GLY A 101 -0.643 14.123 0.119 1.00 70.20 C ATOM 1724 C GLY A 101 -0.286 12.702 0.549 1.00 40.01 C ATOM 1725 O GLY A 101 -0.166 12.413 1.745 1.00 40.12 O ATOM 0 H GLY A 101 -1.652 14.194 -1.720 1.00 30.03 H new ATOM 0 HA2 GLY A 101 0.197 14.552 -0.428 1.00 70.20 H new ATOM 0 HA3 GLY A 101 -0.793 14.738 1.007 1.00 70.20 H new ATOM 1729 N TYR A 102 -0.149 11.806 -0.439 1.00 21.52 N ATOM 1730 CA TYR A 102 0.369 10.433 -0.239 1.00 10.35 C ATOM 1731 C TYR A 102 1.589 10.232 -1.156 1.00 14.12 C ATOM 1732 O TYR A 102 1.596 10.755 -2.283 1.00 61.23 O ATOM 1733 CB TYR A 102 -0.722 9.373 -0.572 1.00 31.21 C ATOM 1734 CG TYR A 102 -1.947 9.376 0.359 1.00 4.45 C ATOM 1735 CD1 TYR A 102 -1.882 8.819 1.635 1.00 65.04 C ATOM 1736 CD2 TYR A 102 -3.170 9.921 -0.041 1.00 31.13 C ATOM 1737 CE1 TYR A 102 -2.985 8.801 2.470 1.00 71.23 C ATOM 1738 CE2 TYR A 102 -4.275 9.907 0.789 1.00 30.32 C ATOM 1739 CZ TYR A 102 -4.178 9.349 2.043 1.00 21.43 C ATOM 1740 OH TYR A 102 -5.281 9.333 2.874 1.00 73.41 O ATOM 0 H TYR A 102 -0.394 12.009 -1.408 1.00 21.52 H new ATOM 0 HA TYR A 102 0.654 10.305 0.805 1.00 10.35 H new ATOM 0 HB2 TYR A 102 -1.063 9.535 -1.595 1.00 31.21 H new ATOM 0 HB3 TYR A 102 -0.265 8.384 -0.542 1.00 31.21 H new ATOM 0 HD1 TYR A 102 -0.951 8.393 1.979 1.00 65.04 H new ATOM 0 HD2 TYR A 102 -3.254 10.364 -1.022 1.00 31.13 H new ATOM 0 HE1 TYR A 102 -2.913 8.360 3.453 1.00 71.23 H new ATOM 0 HE2 TYR A 102 -5.210 10.332 0.455 1.00 30.32 H new ATOM 0 HH TYR A 102 -6.038 9.760 2.421 1.00 73.41 H new ATOM 1750 N GLU A 103 2.618 9.500 -0.676 1.00 11.40 N ATOM 1751 CA GLU A 103 3.789 9.135 -1.504 1.00 25.44 C ATOM 1752 C GLU A 103 3.406 7.949 -2.406 1.00 24.54 C ATOM 1753 O GLU A 103 3.515 6.792 -2.007 1.00 2.33 O ATOM 1754 CB GLU A 103 5.023 8.791 -0.605 1.00 75.12 C ATOM 1755 CG GLU A 103 6.288 8.258 -1.345 1.00 31.44 C ATOM 1756 CD GLU A 103 6.945 9.262 -2.316 1.00 72.32 C ATOM 1757 OE1 GLU A 103 6.414 9.468 -3.427 1.00 42.41 O ATOM 1758 OE2 GLU A 103 8.021 9.821 -1.993 1.00 2.03 O ATOM 0 H GLU A 103 2.662 9.150 0.281 1.00 11.40 H new ATOM 0 HA GLU A 103 4.076 9.982 -2.127 1.00 25.44 H new ATOM 0 HB2 GLU A 103 5.303 9.687 -0.050 1.00 75.12 H new ATOM 0 HB3 GLU A 103 4.715 8.045 0.128 1.00 75.12 H new ATOM 0 HG2 GLU A 103 7.026 7.958 -0.601 1.00 31.44 H new ATOM 0 HG3 GLU A 103 6.014 7.362 -1.902 1.00 31.44 H new ATOM 1765 N VAL A 104 2.935 8.260 -3.622 1.00 13.12 N ATOM 1766 CA VAL A 104 2.402 7.262 -4.567 1.00 61.13 C ATOM 1767 C VAL A 104 3.406 7.024 -5.710 1.00 22.14 C ATOM 1768 O VAL A 104 3.906 7.981 -6.309 1.00 24.01 O ATOM 1769 CB VAL A 104 1.023 7.716 -5.175 1.00 2.55 C ATOM 1770 CG1 VAL A 104 0.377 6.571 -5.988 1.00 44.24 C ATOM 1771 CG2 VAL A 104 0.062 8.225 -4.080 1.00 74.23 C ATOM 0 H VAL A 104 2.912 9.214 -3.981 1.00 13.12 H new ATOM 0 HA VAL A 104 2.245 6.338 -4.011 1.00 61.13 H new ATOM 0 HB VAL A 104 1.219 8.547 -5.852 1.00 2.55 H new ATOM 0 HG11 VAL A 104 -0.575 6.908 -6.398 1.00 44.24 H new ATOM 0 HG12 VAL A 104 1.042 6.283 -6.802 1.00 44.24 H new ATOM 0 HG13 VAL A 104 0.208 5.713 -5.337 1.00 44.24 H new ATOM 0 HG21 VAL A 104 -0.880 8.530 -4.536 1.00 74.23 H new ATOM 0 HG22 VAL A 104 -0.124 7.428 -3.360 1.00 74.23 H new ATOM 0 HG23 VAL A 104 0.511 9.077 -3.569 1.00 74.23 H new ATOM 1781 N ARG A 105 3.697 5.747 -6.003 1.00 73.14 N ATOM 1782 CA ARG A 105 4.623 5.336 -7.083 1.00 65.41 C ATOM 1783 C ARG A 105 3.927 4.326 -8.019 1.00 65.13 C ATOM 1784 O ARG A 105 3.071 3.570 -7.577 1.00 32.24 O ATOM 1785 CB ARG A 105 5.907 4.724 -6.455 1.00 75.23 C ATOM 1786 CG ARG A 105 6.701 5.695 -5.543 1.00 53.32 C ATOM 1787 CD ARG A 105 7.310 6.880 -6.310 1.00 74.31 C ATOM 1788 NE ARG A 105 7.893 7.895 -5.418 1.00 13.43 N ATOM 1789 CZ ARG A 105 8.702 8.893 -5.809 1.00 51.41 C ATOM 1790 NH1 ARG A 105 9.062 9.030 -7.091 1.00 34.14 N ATOM 1791 NH2 ARG A 105 9.107 9.787 -4.917 1.00 23.21 N ATOM 0 H ARG A 105 3.295 4.959 -5.495 1.00 73.14 H new ATOM 0 HA ARG A 105 4.906 6.205 -7.677 1.00 65.41 H new ATOM 0 HB2 ARG A 105 5.629 3.845 -5.874 1.00 75.23 H new ATOM 0 HB3 ARG A 105 6.561 4.382 -7.257 1.00 75.23 H new ATOM 0 HG2 ARG A 105 6.040 6.075 -4.764 1.00 53.32 H new ATOM 0 HG3 ARG A 105 7.498 5.145 -5.044 1.00 53.32 H new ATOM 0 HD2 ARG A 105 8.081 6.512 -6.987 1.00 74.31 H new ATOM 0 HD3 ARG A 105 6.539 7.343 -6.926 1.00 74.31 H new ATOM 0 HE ARG A 105 7.665 7.836 -4.426 1.00 13.43 H new ATOM 0 HH11 ARG A 105 8.721 8.370 -7.790 1.00 34.14 H new ATOM 0 HH12 ARG A 105 9.677 9.795 -7.369 1.00 34.14 H new ATOM 0 HH21 ARG A 105 8.804 9.712 -3.946 1.00 23.21 H new ATOM 0 HH22 ARG A 105 9.722 10.550 -5.202 1.00 23.21 H new ATOM 1805 N LYS A 106 4.290 4.336 -9.318 1.00 42.23 N ATOM 1806 CA LYS A 106 3.729 3.410 -10.340 1.00 3.01 C ATOM 1807 C LYS A 106 4.807 2.430 -10.830 1.00 1.21 C ATOM 1808 O LYS A 106 5.986 2.788 -10.905 1.00 51.04 O ATOM 1809 CB LYS A 106 3.171 4.204 -11.549 1.00 31.41 C ATOM 1810 CG LYS A 106 1.846 4.940 -11.289 1.00 64.13 C ATOM 1811 CD LYS A 106 1.365 5.793 -12.493 1.00 44.20 C ATOM 1812 CE LYS A 106 1.164 5.017 -13.807 1.00 21.15 C ATOM 1813 NZ LYS A 106 2.442 4.710 -14.501 1.00 74.25 N ATOM 0 H LYS A 106 4.981 4.985 -9.695 1.00 42.23 H new ATOM 0 HA LYS A 106 2.918 2.849 -9.875 1.00 3.01 H new ATOM 0 HB2 LYS A 106 3.919 4.933 -11.862 1.00 31.41 H new ATOM 0 HB3 LYS A 106 3.029 3.516 -12.382 1.00 31.41 H new ATOM 0 HG2 LYS A 106 1.076 4.209 -11.041 1.00 64.13 H new ATOM 0 HG3 LYS A 106 1.963 5.587 -10.420 1.00 64.13 H new ATOM 0 HD2 LYS A 106 0.423 6.272 -12.225 1.00 44.20 H new ATOM 0 HD3 LYS A 106 2.090 6.589 -12.667 1.00 44.20 H new ATOM 0 HE2 LYS A 106 0.639 4.086 -13.596 1.00 21.15 H new ATOM 0 HE3 LYS A 106 0.526 5.599 -14.472 1.00 21.15 H new ATOM 0 HZ1 LYS A 106 2.306 4.788 -15.529 1.00 74.25 H new ATOM 0 HZ2 LYS A 106 3.173 5.384 -14.196 1.00 74.25 H new ATOM 0 HZ3 LYS A 106 2.742 3.743 -14.264 1.00 74.25 H new ATOM 1827 N VAL A 107 4.380 1.209 -11.205 1.00 55.42 N ATOM 1828 CA VAL A 107 5.285 0.149 -11.676 1.00 14.32 C ATOM 1829 C VAL A 107 4.512 -0.952 -12.445 1.00 74.22 C ATOM 1830 O VAL A 107 3.356 -1.257 -12.132 1.00 42.24 O ATOM 1831 CB VAL A 107 6.091 -0.472 -10.470 1.00 71.54 C ATOM 1832 CG1 VAL A 107 5.155 -1.043 -9.386 1.00 54.15 C ATOM 1833 CG2 VAL A 107 7.107 -1.524 -10.944 1.00 1.14 C ATOM 0 H VAL A 107 3.398 0.932 -11.189 1.00 55.42 H new ATOM 0 HA VAL A 107 5.995 0.601 -12.369 1.00 14.32 H new ATOM 0 HB VAL A 107 6.654 0.343 -10.015 1.00 71.54 H new ATOM 0 HG11 VAL A 107 5.751 -1.461 -8.574 1.00 54.15 H new ATOM 0 HG12 VAL A 107 4.520 -0.247 -8.998 1.00 54.15 H new ATOM 0 HG13 VAL A 107 4.532 -1.826 -9.819 1.00 54.15 H new ATOM 0 HG21 VAL A 107 7.641 -1.927 -10.084 1.00 1.14 H new ATOM 0 HG22 VAL A 107 6.583 -2.331 -11.457 1.00 1.14 H new ATOM 0 HG23 VAL A 107 7.818 -1.061 -11.628 1.00 1.14 H new ATOM 1843 N THR A 108 5.175 -1.521 -13.471 1.00 72.22 N ATOM 1844 CA THR A 108 4.697 -2.711 -14.203 1.00 65.32 C ATOM 1845 C THR A 108 5.531 -3.948 -13.827 1.00 71.35 C ATOM 1846 O THR A 108 5.000 -5.052 -13.727 1.00 4.04 O ATOM 1847 CB THR A 108 4.779 -2.506 -15.752 1.00 10.40 C ATOM 1848 OG1 THR A 108 6.064 -1.955 -16.102 1.00 25.34 O ATOM 1849 CG2 THR A 108 3.657 -1.603 -16.290 1.00 60.23 C ATOM 0 H THR A 108 6.065 -1.164 -13.818 1.00 72.22 H new ATOM 0 HA THR A 108 3.655 -2.862 -13.920 1.00 65.32 H new ATOM 0 HB THR A 108 4.651 -3.484 -16.215 1.00 10.40 H new ATOM 0 HG1 THR A 108 6.113 -1.829 -17.073 1.00 25.34 H new ATOM 0 HG21 THR A 108 3.763 -1.495 -17.369 1.00 60.23 H new ATOM 0 HG22 THR A 108 2.689 -2.051 -16.063 1.00 60.23 H new ATOM 0 HG23 THR A 108 3.722 -0.622 -15.819 1.00 60.23 H new ATOM 1857 N ASP A 109 6.841 -3.736 -13.600 1.00 34.12 N ATOM 1858 CA ASP A 109 7.833 -4.828 -13.469 1.00 0.42 C ATOM 1859 C ASP A 109 7.776 -5.442 -12.067 1.00 14.35 C ATOM 1860 O ASP A 109 7.600 -4.718 -11.082 1.00 44.11 O ATOM 1861 CB ASP A 109 9.260 -4.295 -13.755 1.00 40.24 C ATOM 1862 CG ASP A 109 9.353 -3.555 -15.097 1.00 71.40 C ATOM 1863 OD1 ASP A 109 9.050 -2.339 -15.131 1.00 44.13 O ATOM 1864 OD2 ASP A 109 9.692 -4.183 -16.120 1.00 12.01 O ATOM 0 H ASP A 109 7.245 -2.804 -13.502 1.00 34.12 H new ATOM 0 HA ASP A 109 7.590 -5.601 -14.199 1.00 0.42 H new ATOM 0 HB2 ASP A 109 9.561 -3.623 -12.951 1.00 40.24 H new ATOM 0 HB3 ASP A 109 9.963 -5.128 -13.754 1.00 40.24 H new ATOM 1869 N ASP A 110 7.941 -6.772 -11.992 1.00 71.43 N ATOM 1870 CA ASP A 110 7.847 -7.529 -10.730 1.00 2.24 C ATOM 1871 C ASP A 110 9.053 -7.245 -9.806 1.00 24.11 C ATOM 1872 O ASP A 110 8.886 -7.072 -8.596 1.00 3.51 O ATOM 1873 CB ASP A 110 7.691 -9.056 -11.012 1.00 12.24 C ATOM 1874 CG ASP A 110 8.908 -9.741 -11.673 1.00 24.34 C ATOM 1875 OD1 ASP A 110 9.473 -9.183 -12.646 1.00 22.22 O ATOM 1876 OD2 ASP A 110 9.278 -10.861 -11.237 1.00 42.24 O ATOM 0 H ASP A 110 8.144 -7.355 -12.804 1.00 71.43 H new ATOM 0 HA ASP A 110 6.954 -7.191 -10.204 1.00 2.24 H new ATOM 0 HB2 ASP A 110 7.480 -9.561 -10.070 1.00 12.24 H new ATOM 0 HB3 ASP A 110 6.822 -9.202 -11.654 1.00 12.24 H new ATOM 1881 N GLU A 111 10.262 -7.169 -10.402 1.00 31.02 N ATOM 1882 CA GLU A 111 11.496 -6.824 -9.667 1.00 71.11 C ATOM 1883 C GLU A 111 11.405 -5.399 -9.121 1.00 12.42 C ATOM 1884 O GLU A 111 11.628 -5.170 -7.931 1.00 51.43 O ATOM 1885 CB GLU A 111 12.749 -6.963 -10.577 1.00 20.41 C ATOM 1886 CG GLU A 111 13.209 -8.416 -10.832 1.00 5.22 C ATOM 1887 CD GLU A 111 13.785 -9.119 -9.580 1.00 3.54 C ATOM 1888 OE1 GLU A 111 14.595 -8.496 -8.847 1.00 73.33 O ATOM 1889 OE2 GLU A 111 13.445 -10.297 -9.327 1.00 52.35 O ATOM 0 H GLU A 111 10.409 -7.343 -11.396 1.00 31.02 H new ATOM 0 HA GLU A 111 11.598 -7.522 -8.836 1.00 71.11 H new ATOM 0 HB2 GLU A 111 12.538 -6.490 -11.536 1.00 20.41 H new ATOM 0 HB3 GLU A 111 13.572 -6.411 -10.124 1.00 20.41 H new ATOM 0 HG2 GLU A 111 12.364 -8.994 -11.205 1.00 5.22 H new ATOM 0 HG3 GLU A 111 13.966 -8.415 -11.617 1.00 5.22 H new ATOM 1896 N GLU A 112 11.022 -4.463 -10.008 1.00 34.14 N ATOM 1897 CA GLU A 112 10.997 -3.028 -9.699 1.00 11.40 C ATOM 1898 C GLU A 112 9.966 -2.699 -8.599 1.00 44.51 C ATOM 1899 O GLU A 112 10.200 -1.808 -7.780 1.00 5.44 O ATOM 1900 CB GLU A 112 10.711 -2.217 -10.985 1.00 4.11 C ATOM 1901 CG GLU A 112 10.885 -0.689 -10.849 1.00 25.15 C ATOM 1902 CD GLU A 112 12.314 -0.285 -10.440 1.00 74.34 C ATOM 1903 OE1 GLU A 112 13.234 -0.404 -11.282 1.00 33.43 O ATOM 1904 OE2 GLU A 112 12.530 0.138 -9.283 1.00 20.10 O ATOM 0 H GLU A 112 10.722 -4.683 -10.958 1.00 34.14 H new ATOM 0 HA GLU A 112 11.977 -2.747 -9.313 1.00 11.40 H new ATOM 0 HB2 GLU A 112 11.372 -2.573 -11.775 1.00 4.11 H new ATOM 0 HB3 GLU A 112 9.690 -2.423 -11.306 1.00 4.11 H new ATOM 0 HG2 GLU A 112 10.635 -0.214 -11.798 1.00 25.15 H new ATOM 0 HG3 GLU A 112 10.180 -0.312 -10.108 1.00 25.15 H new ATOM 1911 N ALA A 113 8.837 -3.444 -8.587 1.00 75.10 N ATOM 1912 CA ALA A 113 7.801 -3.314 -7.547 1.00 3.20 C ATOM 1913 C ALA A 113 8.404 -3.547 -6.152 1.00 0.41 C ATOM 1914 O ALA A 113 8.229 -2.721 -5.254 1.00 51.43 O ATOM 1915 CB ALA A 113 6.650 -4.294 -7.812 1.00 12.55 C ATOM 0 H ALA A 113 8.623 -4.147 -9.295 1.00 75.10 H new ATOM 0 HA ALA A 113 7.402 -2.300 -7.580 1.00 3.20 H new ATOM 0 HB1 ALA A 113 5.893 -4.185 -7.035 1.00 12.55 H new ATOM 0 HB2 ALA A 113 6.206 -4.079 -8.784 1.00 12.55 H new ATOM 0 HB3 ALA A 113 7.032 -5.315 -7.806 1.00 12.55 H new ATOM 1921 N LEU A 114 9.178 -4.649 -6.030 1.00 25.11 N ATOM 1922 CA LEU A 114 9.863 -5.033 -4.777 1.00 51.22 C ATOM 1923 C LEU A 114 10.861 -3.938 -4.341 1.00 40.12 C ATOM 1924 O LEU A 114 10.989 -3.650 -3.151 1.00 43.04 O ATOM 1925 CB LEU A 114 10.616 -6.377 -4.957 1.00 24.41 C ATOM 1926 CG LEU A 114 9.755 -7.589 -5.419 1.00 14.22 C ATOM 1927 CD1 LEU A 114 10.643 -8.800 -5.743 1.00 43.45 C ATOM 1928 CD2 LEU A 114 8.682 -7.951 -4.374 1.00 40.03 C ATOM 0 H LEU A 114 9.345 -5.297 -6.799 1.00 25.11 H new ATOM 0 HA LEU A 114 9.104 -5.149 -4.004 1.00 51.22 H new ATOM 0 HB2 LEU A 114 11.415 -6.228 -5.683 1.00 24.41 H new ATOM 0 HB3 LEU A 114 11.090 -6.634 -4.010 1.00 24.41 H new ATOM 0 HG LEU A 114 9.236 -7.297 -6.332 1.00 14.22 H new ATOM 0 HD11 LEU A 114 10.018 -9.634 -6.063 1.00 43.45 H new ATOM 0 HD12 LEU A 114 11.337 -8.539 -6.542 1.00 43.45 H new ATOM 0 HD13 LEU A 114 11.204 -9.088 -4.854 1.00 43.45 H new ATOM 0 HD21 LEU A 114 8.100 -8.801 -4.730 1.00 40.03 H new ATOM 0 HD22 LEU A 114 9.165 -8.210 -3.432 1.00 40.03 H new ATOM 0 HD23 LEU A 114 8.021 -7.098 -4.220 1.00 40.03 H new ATOM 1940 N LYS A 115 11.537 -3.318 -5.341 1.00 64.11 N ATOM 1941 CA LYS A 115 12.556 -2.267 -5.109 1.00 54.00 C ATOM 1942 C LYS A 115 11.923 -1.024 -4.464 1.00 54.11 C ATOM 1943 O LYS A 115 12.497 -0.448 -3.542 1.00 70.24 O ATOM 1944 CB LYS A 115 13.274 -1.860 -6.429 1.00 35.40 C ATOM 1945 CG LYS A 115 13.889 -3.034 -7.217 1.00 52.42 C ATOM 1946 CD LYS A 115 14.861 -3.912 -6.386 1.00 3.54 C ATOM 1947 CE LYS A 115 15.387 -5.121 -7.189 1.00 22.43 C ATOM 1948 NZ LYS A 115 16.175 -4.710 -8.383 1.00 62.22 N ATOM 0 H LYS A 115 11.391 -3.533 -6.327 1.00 64.11 H new ATOM 0 HA LYS A 115 13.298 -2.687 -4.429 1.00 54.00 H new ATOM 0 HB2 LYS A 115 12.560 -1.344 -7.071 1.00 35.40 H new ATOM 0 HB3 LYS A 115 14.063 -1.146 -6.192 1.00 35.40 H new ATOM 0 HG2 LYS A 115 13.085 -3.663 -7.599 1.00 52.42 H new ATOM 0 HG3 LYS A 115 14.422 -2.638 -8.081 1.00 52.42 H new ATOM 0 HD2 LYS A 115 15.703 -3.304 -6.054 1.00 3.54 H new ATOM 0 HD3 LYS A 115 14.351 -4.267 -5.490 1.00 3.54 H new ATOM 0 HE2 LYS A 115 16.009 -5.740 -6.542 1.00 22.43 H new ATOM 0 HE3 LYS A 115 14.545 -5.736 -7.507 1.00 22.43 H new ATOM 0 HZ1 LYS A 115 16.563 -5.554 -8.850 1.00 62.22 H new ATOM 0 HZ2 LYS A 115 15.559 -4.199 -9.047 1.00 62.22 H new ATOM 0 HZ3 LYS A 115 16.955 -4.089 -8.087 1.00 62.22 H new ATOM 1962 N ILE A 116 10.727 -0.640 -4.957 1.00 11.24 N ATOM 1963 CA ILE A 116 9.991 0.535 -4.451 1.00 22.31 C ATOM 1964 C ILE A 116 9.442 0.278 -3.022 1.00 62.15 C ATOM 1965 O ILE A 116 9.325 1.211 -2.221 1.00 73.53 O ATOM 1966 CB ILE A 116 8.827 0.967 -5.423 1.00 53.23 C ATOM 1967 CG1 ILE A 116 9.348 1.166 -6.889 1.00 15.33 C ATOM 1968 CG2 ILE A 116 8.122 2.248 -4.921 1.00 35.40 C ATOM 1969 CD1 ILE A 116 10.457 2.201 -7.066 1.00 35.40 C ATOM 0 H ILE A 116 10.248 -1.132 -5.711 1.00 11.24 H new ATOM 0 HA ILE A 116 10.702 1.360 -4.405 1.00 22.31 H new ATOM 0 HB ILE A 116 8.097 0.157 -5.431 1.00 53.23 H new ATOM 0 HG12 ILE A 116 9.710 0.207 -7.259 1.00 15.33 H new ATOM 0 HG13 ILE A 116 8.505 1.453 -7.518 1.00 15.33 H new ATOM 0 HG21 ILE A 116 7.325 2.519 -5.613 1.00 35.40 H new ATOM 0 HG22 ILE A 116 7.699 2.067 -3.933 1.00 35.40 H new ATOM 0 HG23 ILE A 116 8.845 3.062 -4.863 1.00 35.40 H new ATOM 0 HD11 ILE A 116 10.739 2.255 -8.117 1.00 35.40 H new ATOM 0 HD12 ILE A 116 10.101 3.176 -6.735 1.00 35.40 H new ATOM 0 HD13 ILE A 116 11.324 1.911 -6.472 1.00 35.40 H new ATOM 1981 N VAL A 117 9.130 -1.000 -2.711 1.00 45.54 N ATOM 1982 CA VAL A 117 8.757 -1.423 -1.341 1.00 42.14 C ATOM 1983 C VAL A 117 9.956 -1.212 -0.386 1.00 53.03 C ATOM 1984 O VAL A 117 9.793 -0.694 0.721 1.00 71.30 O ATOM 1985 CB VAL A 117 8.295 -2.931 -1.287 1.00 52.22 C ATOM 1986 CG1 VAL A 117 7.861 -3.344 0.137 1.00 21.13 C ATOM 1987 CG2 VAL A 117 7.165 -3.203 -2.297 1.00 32.14 C ATOM 0 H VAL A 117 9.129 -1.759 -3.392 1.00 45.54 H new ATOM 0 HA VAL A 117 7.913 -0.809 -1.027 1.00 42.14 H new ATOM 0 HB VAL A 117 9.155 -3.541 -1.563 1.00 52.22 H new ATOM 0 HG11 VAL A 117 7.550 -4.389 0.134 1.00 21.13 H new ATOM 0 HG12 VAL A 117 8.698 -3.217 0.824 1.00 21.13 H new ATOM 0 HG13 VAL A 117 7.029 -2.718 0.459 1.00 21.13 H new ATOM 0 HG21 VAL A 117 6.867 -4.250 -2.237 1.00 32.14 H new ATOM 0 HG22 VAL A 117 6.309 -2.569 -2.065 1.00 32.14 H new ATOM 0 HG23 VAL A 117 7.517 -2.983 -3.305 1.00 32.14 H new ATOM 1997 N ARG A 118 11.163 -1.591 -0.869 1.00 63.42 N ATOM 1998 CA ARG A 118 12.436 -1.415 -0.129 1.00 24.24 C ATOM 1999 C ARG A 118 12.768 0.076 0.062 1.00 4.00 C ATOM 2000 O ARG A 118 13.375 0.455 1.069 1.00 50.43 O ATOM 2001 CB ARG A 118 13.601 -2.145 -0.855 1.00 62.00 C ATOM 2002 CG ARG A 118 13.393 -3.668 -1.006 1.00 51.34 C ATOM 2003 CD ARG A 118 14.522 -4.355 -1.800 1.00 42.21 C ATOM 2004 NE ARG A 118 15.810 -4.322 -1.087 1.00 71.50 N ATOM 2005 CZ ARG A 118 16.287 -5.291 -0.280 1.00 14.25 C ATOM 2006 NH1 ARG A 118 15.596 -6.410 -0.058 1.00 71.14 N ATOM 2007 NH2 ARG A 118 17.466 -5.134 0.298 1.00 1.34 N ATOM 0 H ARG A 118 11.282 -2.028 -1.783 1.00 63.42 H new ATOM 0 HA ARG A 118 12.311 -1.861 0.858 1.00 24.24 H new ATOM 0 HB2 ARG A 118 13.730 -1.707 -1.845 1.00 62.00 H new ATOM 0 HB3 ARG A 118 14.525 -1.968 -0.305 1.00 62.00 H new ATOM 0 HG2 ARG A 118 13.326 -4.120 -0.016 1.00 51.34 H new ATOM 0 HG3 ARG A 118 12.442 -3.851 -1.505 1.00 51.34 H new ATOM 0 HD2 ARG A 118 14.245 -5.391 -1.997 1.00 42.21 H new ATOM 0 HD3 ARG A 118 14.633 -3.865 -2.767 1.00 42.21 H new ATOM 0 HE ARG A 118 16.392 -3.494 -1.215 1.00 71.50 H new ATOM 0 HH11 ARG A 118 14.688 -6.545 -0.502 1.00 71.14 H new ATOM 0 HH12 ARG A 118 15.976 -7.130 0.556 1.00 71.14 H new ATOM 0 HH21 ARG A 118 18.006 -4.285 0.132 1.00 1.34 H new ATOM 0 HH22 ARG A 118 17.835 -5.862 0.910 1.00 1.34 H new ATOM 2021 N GLU A 119 12.346 0.908 -0.914 1.00 24.54 N ATOM 2022 CA GLU A 119 12.481 2.372 -0.840 1.00 61.21 C ATOM 2023 C GLU A 119 11.593 2.929 0.280 1.00 73.42 C ATOM 2024 O GLU A 119 12.052 3.714 1.097 1.00 34.11 O ATOM 2025 CB GLU A 119 12.117 3.031 -2.204 1.00 34.31 C ATOM 2026 CG GLU A 119 13.120 2.746 -3.343 1.00 24.34 C ATOM 2027 CD GLU A 119 14.516 3.327 -3.067 1.00 44.34 C ATOM 2028 OE1 GLU A 119 14.697 4.559 -3.227 1.00 72.25 O ATOM 2029 OE2 GLU A 119 15.429 2.569 -2.664 1.00 14.22 O ATOM 0 H GLU A 119 11.903 0.581 -1.773 1.00 24.54 H new ATOM 0 HA GLU A 119 13.520 2.612 -0.615 1.00 61.21 H new ATOM 0 HB2 GLU A 119 11.131 2.681 -2.510 1.00 34.31 H new ATOM 0 HB3 GLU A 119 12.044 4.109 -2.064 1.00 34.31 H new ATOM 0 HG2 GLU A 119 13.202 1.669 -3.488 1.00 24.34 H new ATOM 0 HG3 GLU A 119 12.735 3.164 -4.273 1.00 24.34 H new ATOM 2036 N PHE A 120 10.321 2.487 0.307 1.00 24.44 N ATOM 2037 CA PHE A 120 9.336 2.908 1.324 1.00 3.51 C ATOM 2038 C PHE A 120 9.772 2.513 2.743 1.00 43.13 C ATOM 2039 O PHE A 120 9.573 3.279 3.688 1.00 0.25 O ATOM 2040 CB PHE A 120 7.937 2.321 0.998 1.00 0.32 C ATOM 2041 CG PHE A 120 7.270 2.906 -0.251 1.00 2.31 C ATOM 2042 CD1 PHE A 120 7.687 4.124 -0.823 1.00 71.52 C ATOM 2043 CD2 PHE A 120 6.193 2.250 -0.834 1.00 61.11 C ATOM 2044 CE1 PHE A 120 7.046 4.642 -1.929 1.00 12.25 C ATOM 2045 CE2 PHE A 120 5.556 2.777 -1.932 1.00 51.41 C ATOM 2046 CZ PHE A 120 5.977 3.968 -2.481 1.00 54.34 C ATOM 0 H PHE A 120 9.947 1.828 -0.375 1.00 24.44 H new ATOM 0 HA PHE A 120 9.278 3.996 1.294 1.00 3.51 H new ATOM 0 HB2 PHE A 120 8.032 1.243 0.871 1.00 0.32 H new ATOM 0 HB3 PHE A 120 7.281 2.485 1.853 1.00 0.32 H new ATOM 0 HD1 PHE A 120 8.519 4.659 -0.390 1.00 71.52 H new ATOM 0 HD2 PHE A 120 5.852 1.313 -0.419 1.00 61.11 H new ATOM 0 HE1 PHE A 120 7.381 5.573 -2.362 1.00 12.25 H new ATOM 0 HE2 PHE A 120 4.718 2.253 -2.368 1.00 51.41 H new ATOM 0 HZ PHE A 120 5.470 4.374 -3.344 1.00 54.34 H new ATOM 2056 N MET A 121 10.370 1.314 2.869 1.00 71.53 N ATOM 2057 CA MET A 121 10.922 0.816 4.142 1.00 74.53 C ATOM 2058 C MET A 121 12.162 1.634 4.591 1.00 50.42 C ATOM 2059 O MET A 121 12.385 1.818 5.795 1.00 75.22 O ATOM 2060 CB MET A 121 11.245 -0.705 4.033 1.00 3.33 C ATOM 2061 CG MET A 121 10.000 -1.597 3.845 1.00 42.45 C ATOM 2062 SD MET A 121 10.360 -3.365 3.961 1.00 4.12 S ATOM 2063 CE MET A 121 11.239 -3.703 2.433 1.00 44.33 C ATOM 0 H MET A 121 10.484 0.664 2.092 1.00 71.53 H new ATOM 0 HA MET A 121 10.164 0.949 4.914 1.00 74.53 H new ATOM 0 HB2 MET A 121 11.923 -0.863 3.194 1.00 3.33 H new ATOM 0 HB3 MET A 121 11.773 -1.020 4.933 1.00 3.33 H new ATOM 0 HG2 MET A 121 9.257 -1.335 4.598 1.00 42.45 H new ATOM 0 HG3 MET A 121 9.555 -1.387 2.872 1.00 42.45 H new ATOM 0 HE1 MET A 121 11.184 -4.769 2.210 1.00 44.33 H new ATOM 0 HE2 MET A 121 10.784 -3.138 1.619 1.00 44.33 H new ATOM 0 HE3 MET A 121 12.283 -3.408 2.541 1.00 44.33 H new ATOM 2073 N GLN A 122 12.953 2.122 3.612 1.00 21.33 N ATOM 2074 CA GLN A 122 14.121 3.002 3.864 1.00 42.40 C ATOM 2075 C GLN A 122 13.642 4.357 4.418 1.00 64.43 C ATOM 2076 O GLN A 122 14.115 4.816 5.469 1.00 32.31 O ATOM 2077 CB GLN A 122 14.930 3.186 2.541 1.00 51.52 C ATOM 2078 CG GLN A 122 16.371 3.755 2.676 1.00 14.13 C ATOM 2079 CD GLN A 122 16.473 5.236 3.073 1.00 33.10 C ATOM 2080 OE1 GLN A 122 16.607 5.581 4.251 1.00 41.34 O ATOM 2081 NE2 GLN A 122 16.400 6.118 2.098 1.00 54.12 N ATOM 0 H GLN A 122 12.802 1.919 2.624 1.00 21.33 H new ATOM 0 HA GLN A 122 14.776 2.545 4.606 1.00 42.40 H new ATOM 0 HB2 GLN A 122 14.992 2.219 2.043 1.00 51.52 H new ATOM 0 HB3 GLN A 122 14.363 3.847 1.885 1.00 51.52 H new ATOM 0 HG2 GLN A 122 16.907 3.162 3.417 1.00 14.13 H new ATOM 0 HG3 GLN A 122 16.886 3.617 1.725 1.00 14.13 H new ATOM 0 HE21 GLN A 122 16.289 5.804 1.134 1.00 54.12 H new ATOM 0 HE22 GLN A 122 16.454 7.115 2.307 1.00 54.12 H new ATOM 2090 N LYS A 123 12.675 4.958 3.703 1.00 44.23 N ATOM 2091 CA LYS A 123 12.125 6.285 4.025 1.00 11.11 C ATOM 2092 C LYS A 123 11.496 6.265 5.424 1.00 33.31 C ATOM 2093 O LYS A 123 11.791 7.122 6.261 1.00 53.03 O ATOM 2094 CB LYS A 123 11.056 6.694 2.978 1.00 40.22 C ATOM 2095 CG LYS A 123 11.571 6.754 1.526 1.00 52.40 C ATOM 2096 CD LYS A 123 10.424 6.869 0.494 1.00 51.11 C ATOM 2097 CE LYS A 123 10.919 6.774 -0.952 1.00 21.24 C ATOM 2098 NZ LYS A 123 11.984 7.766 -1.244 1.00 60.34 N ATOM 0 H LYS A 123 12.250 4.532 2.879 1.00 44.23 H new ATOM 0 HA LYS A 123 12.936 7.013 4.005 1.00 11.11 H new ATOM 0 HB2 LYS A 123 10.228 5.986 3.027 1.00 40.22 H new ATOM 0 HB3 LYS A 123 10.656 7.671 3.249 1.00 40.22 H new ATOM 0 HG2 LYS A 123 12.241 7.607 1.417 1.00 52.40 H new ATOM 0 HG3 LYS A 123 12.157 5.860 1.315 1.00 52.40 H new ATOM 0 HD2 LYS A 123 9.695 6.079 0.677 1.00 51.11 H new ATOM 0 HD3 LYS A 123 9.907 7.818 0.635 1.00 51.11 H new ATOM 0 HE2 LYS A 123 11.299 5.770 -1.140 1.00 21.24 H new ATOM 0 HE3 LYS A 123 10.082 6.931 -1.632 1.00 21.24 H new ATOM 0 HZ1 LYS A 123 12.194 7.760 -2.263 1.00 60.34 H new ATOM 0 HZ2 LYS A 123 11.662 8.714 -0.962 1.00 60.34 H new ATOM 0 HZ3 LYS A 123 12.843 7.520 -0.712 1.00 60.34 H new ATOM 2112 N ALA A 124 10.667 5.227 5.653 1.00 5.34 N ATOM 2113 CA ALA A 124 9.986 4.990 6.928 1.00 44.41 C ATOM 2114 C ALA A 124 11.004 4.782 8.062 1.00 25.42 C ATOM 2115 O ALA A 124 10.823 5.314 9.154 1.00 14.44 O ATOM 2116 CB ALA A 124 9.047 3.780 6.806 1.00 12.32 C ATOM 0 H ALA A 124 10.453 4.525 4.945 1.00 5.34 H new ATOM 0 HA ALA A 124 9.390 5.869 7.174 1.00 44.41 H new ATOM 0 HB1 ALA A 124 8.545 3.611 7.759 1.00 12.32 H new ATOM 0 HB2 ALA A 124 8.303 3.973 6.033 1.00 12.32 H new ATOM 0 HB3 ALA A 124 9.626 2.896 6.539 1.00 12.32 H new ATOM 2122 N GLY A 125 12.097 4.040 7.756 1.00 45.14 N ATOM 2123 CA GLY A 125 13.171 3.766 8.725 1.00 12.42 C ATOM 2124 C GLY A 125 13.959 5.019 9.118 1.00 3.35 C ATOM 2125 O GLY A 125 14.572 5.066 10.193 1.00 53.44 O ATOM 0 H GLY A 125 12.252 3.622 6.839 1.00 45.14 H new ATOM 0 HA2 GLY A 125 12.739 3.320 9.621 1.00 12.42 H new ATOM 0 HA3 GLY A 125 13.856 3.031 8.301 1.00 12.42 H new ATOM 2129 N SER A 126 13.929 6.042 8.242 1.00 71.34 N ATOM 2130 CA SER A 126 14.540 7.356 8.516 1.00 52.41 C ATOM 2131 C SER A 126 13.602 8.204 9.394 1.00 24.31 C ATOM 2132 O SER A 126 14.059 8.968 10.250 1.00 30.21 O ATOM 2133 CB SER A 126 14.851 8.074 7.185 1.00 53.20 C ATOM 2134 OG SER A 126 15.694 7.275 6.378 1.00 12.44 O ATOM 0 H SER A 126 13.482 5.981 7.327 1.00 71.34 H new ATOM 0 HA SER A 126 15.475 7.214 9.059 1.00 52.41 H new ATOM 0 HB2 SER A 126 13.923 8.286 6.654 1.00 53.20 H new ATOM 0 HB3 SER A 126 15.330 9.032 7.385 1.00 53.20 H new ATOM 0 HG SER A 126 15.199 6.489 6.066 1.00 12.44 H new ATOM 2140 N LEU A 127 12.276 8.021 9.187 1.00 20.15 N ATOM 2141 CA LEU A 127 11.223 8.719 9.959 1.00 4.10 C ATOM 2142 C LEU A 127 11.068 8.079 11.355 1.00 0.40 C ATOM 2143 O LEU A 127 10.477 8.668 12.261 1.00 52.45 O ATOM 2144 CB LEU A 127 9.868 8.670 9.196 1.00 75.30 C ATOM 2145 CG LEU A 127 9.869 9.232 7.740 1.00 53.42 C ATOM 2146 CD1 LEU A 127 8.486 9.060 7.083 1.00 65.25 C ATOM 2147 CD2 LEU A 127 10.344 10.702 7.688 1.00 34.10 C ATOM 0 H LEU A 127 11.908 7.385 8.480 1.00 20.15 H new ATOM 0 HA LEU A 127 11.518 9.761 10.081 1.00 4.10 H new ATOM 0 HB2 LEU A 127 9.533 7.633 9.161 1.00 75.30 H new ATOM 0 HB3 LEU A 127 9.130 9.224 9.775 1.00 75.30 H new ATOM 0 HG LEU A 127 10.588 8.649 7.165 1.00 53.42 H new ATOM 0 HD11 LEU A 127 8.513 9.459 6.069 1.00 65.25 H new ATOM 0 HD12 LEU A 127 8.228 8.001 7.049 1.00 65.25 H new ATOM 0 HD13 LEU A 127 7.737 9.597 7.665 1.00 65.25 H new ATOM 0 HD21 LEU A 127 10.329 11.053 6.656 1.00 34.10 H new ATOM 0 HD22 LEU A 127 9.680 11.321 8.291 1.00 34.10 H new ATOM 0 HD23 LEU A 127 11.359 10.771 8.080 1.00 34.10 H new ATOM 2159 N GLU A 128 11.609 6.858 11.493 1.00 73.42 N ATOM 2160 CA GLU A 128 11.653 6.096 12.750 1.00 43.01 C ATOM 2161 C GLU A 128 12.700 6.641 13.741 1.00 32.32 C ATOM 2162 O GLU A 128 12.760 6.162 14.882 1.00 50.14 O ATOM 2163 CB GLU A 128 11.957 4.601 12.425 1.00 0.54 C ATOM 2164 CG GLU A 128 10.739 3.794 11.955 1.00 72.34 C ATOM 2165 CD GLU A 128 9.710 3.609 13.079 1.00 65.21 C ATOM 2166 OE1 GLU A 128 9.977 2.784 13.978 1.00 44.14 O ATOM 2167 OE2 GLU A 128 8.636 4.256 13.071 1.00 45.34 O ATOM 0 H GLU A 128 12.039 6.361 10.713 1.00 73.42 H new ATOM 0 HA GLU A 128 10.681 6.196 13.234 1.00 43.01 H new ATOM 0 HB2 GLU A 128 12.725 4.559 11.653 1.00 0.54 H new ATOM 0 HB3 GLU A 128 12.372 4.126 13.314 1.00 0.54 H new ATOM 0 HG2 GLU A 128 10.270 4.302 11.112 1.00 72.34 H new ATOM 0 HG3 GLU A 128 11.066 2.818 11.597 1.00 72.34 H new ATOM 2174 N HIS A 129 13.529 7.618 13.307 1.00 52.54 N ATOM 2175 CA HIS A 129 14.604 8.193 14.147 1.00 3.05 C ATOM 2176 C HIS A 129 14.003 9.078 15.275 1.00 14.31 C ATOM 2177 O HIS A 129 13.905 10.309 15.140 1.00 21.22 O ATOM 2178 CB HIS A 129 15.624 8.984 13.278 1.00 0.34 C ATOM 2179 CG HIS A 129 16.787 9.532 14.062 1.00 22.02 C ATOM 2180 ND1 HIS A 129 16.854 10.845 14.485 1.00 52.33 N ATOM 2181 CD2 HIS A 129 17.912 8.937 14.522 1.00 54.41 C ATOM 2182 CE1 HIS A 129 17.962 11.030 15.173 1.00 62.50 C ATOM 2183 NE2 HIS A 129 18.621 9.890 15.204 1.00 11.35 N ATOM 0 H HIS A 129 13.473 8.026 12.374 1.00 52.54 H new ATOM 0 HA HIS A 129 15.146 7.375 14.622 1.00 3.05 H new ATOM 0 HB2 HIS A 129 16.002 8.331 12.492 1.00 0.34 H new ATOM 0 HB3 HIS A 129 15.107 9.808 12.786 1.00 0.34 H new ATOM 0 HD2 HIS A 129 18.197 7.905 14.378 1.00 54.41 H new ATOM 0 HE1 HIS A 129 18.276 11.956 15.632 1.00 62.50 H new ATOM 0 HE2 HIS A 129 19.519 9.740 15.664 1.00 11.35 H new ATOM 2192 N HIS A 130 13.557 8.381 16.337 1.00 54.35 N ATOM 2193 CA HIS A 130 13.024 8.930 17.603 1.00 52.45 C ATOM 2194 C HIS A 130 12.368 7.777 18.372 1.00 42.45 C ATOM 2195 O HIS A 130 12.447 7.706 19.604 1.00 41.41 O ATOM 2196 CB HIS A 130 11.985 10.078 17.432 1.00 4.25 C ATOM 2197 CG HIS A 130 11.667 10.792 18.722 1.00 1.12 C ATOM 2198 ND1 HIS A 130 10.546 10.536 19.485 1.00 54.32 N ATOM 2199 CD2 HIS A 130 12.359 11.741 19.393 1.00 73.12 C ATOM 2200 CE1 HIS A 130 10.575 11.293 20.566 1.00 71.12 C ATOM 2201 NE2 HIS A 130 11.659 12.032 20.530 1.00 74.40 N ATOM 0 H HIS A 130 13.558 7.361 16.337 1.00 54.35 H new ATOM 0 HA HIS A 130 13.866 9.373 18.135 1.00 52.45 H new ATOM 0 HB2 HIS A 130 12.367 10.800 16.710 1.00 4.25 H new ATOM 0 HB3 HIS A 130 11.065 9.667 17.016 1.00 4.25 H new ATOM 0 HD2 HIS A 130 13.294 12.187 19.086 1.00 73.12 H new ATOM 0 HE1 HIS A 130 9.831 11.303 21.349 1.00 71.12 H new ATOM 0 HE2 HIS A 130 11.935 12.714 21.237 1.00 74.40 H new ATOM 2210 N HIS A 131 11.664 6.912 17.609 1.00 61.13 N ATOM 2211 CA HIS A 131 11.137 5.637 18.105 1.00 64.53 C ATOM 2212 C HIS A 131 12.306 4.741 18.549 1.00 55.52 C ATOM 2213 O HIS A 131 13.255 4.520 17.789 1.00 24.44 O ATOM 2214 CB HIS A 131 10.291 4.923 17.011 1.00 3.03 C ATOM 2215 CG HIS A 131 10.038 3.458 17.291 1.00 61.24 C ATOM 2216 ND1 HIS A 131 10.707 2.453 16.633 1.00 60.22 N ATOM 2217 CD2 HIS A 131 9.228 2.837 18.178 1.00 50.25 C ATOM 2218 CE1 HIS A 131 10.329 1.290 17.102 1.00 62.03 C ATOM 2219 NE2 HIS A 131 9.434 1.492 18.040 1.00 5.50 N ATOM 0 H HIS A 131 11.448 7.087 16.627 1.00 61.13 H new ATOM 0 HA HIS A 131 10.485 5.831 18.957 1.00 64.53 H new ATOM 0 HB2 HIS A 131 9.334 5.435 16.914 1.00 3.03 H new ATOM 0 HB3 HIS A 131 10.801 5.017 16.052 1.00 3.03 H new ATOM 0 HD2 HIS A 131 8.546 3.314 18.866 1.00 50.25 H new ATOM 0 HE1 HIS A 131 10.692 0.328 16.773 1.00 62.03 H new ATOM 0 HE2 HIS A 131 8.967 0.763 18.579 1.00 5.50 H new ATOM 2228 N HIS A 132 12.210 4.239 19.779 1.00 13.31 N ATOM 2229 CA HIS A 132 13.231 3.391 20.388 1.00 32.11 C ATOM 2230 C HIS A 132 13.046 1.930 19.932 1.00 73.01 C ATOM 2231 O HIS A 132 12.116 1.239 20.362 1.00 55.11 O ATOM 2232 CB HIS A 132 13.168 3.512 21.930 1.00 31.31 C ATOM 2233 CG HIS A 132 13.457 4.894 22.461 1.00 44.03 C ATOM 2234 ND1 HIS A 132 13.037 5.327 23.699 1.00 23.13 N ATOM 2235 CD2 HIS A 132 14.142 5.931 21.923 1.00 12.55 C ATOM 2236 CE1 HIS A 132 13.446 6.566 23.892 1.00 54.22 C ATOM 2237 NE2 HIS A 132 14.119 6.954 22.829 1.00 33.11 N ATOM 0 H HIS A 132 11.410 4.413 20.388 1.00 13.31 H new ATOM 0 HA HIS A 132 14.217 3.722 20.063 1.00 32.11 H new ATOM 0 HB2 HIS A 132 12.177 3.208 22.266 1.00 31.31 H new ATOM 0 HB3 HIS A 132 13.881 2.812 22.366 1.00 31.31 H new ATOM 0 HD2 HIS A 132 14.619 5.947 20.954 1.00 12.55 H new ATOM 0 HE1 HIS A 132 13.260 7.162 24.773 1.00 54.22 H new ATOM 0 HE2 HIS A 132 14.552 7.869 22.702 1.00 33.11 H new ATOM 2246 N HIS A 133 13.923 1.509 19.015 1.00 1.52 N ATOM 2247 CA HIS A 133 13.993 0.134 18.479 1.00 44.15 C ATOM 2248 C HIS A 133 15.347 -0.467 18.875 1.00 64.03 C ATOM 2249 O HIS A 133 16.347 0.261 18.926 1.00 75.53 O ATOM 2250 CB HIS A 133 13.846 0.172 16.932 1.00 23.25 C ATOM 2251 CG HIS A 133 13.896 -1.166 16.243 1.00 34.33 C ATOM 2252 ND1 HIS A 133 15.072 -1.746 15.811 1.00 31.15 N ATOM 2253 CD2 HIS A 133 12.907 -2.013 15.864 1.00 1.15 C ATOM 2254 CE1 HIS A 133 14.803 -2.883 15.205 1.00 11.31 C ATOM 2255 NE2 HIS A 133 13.501 -3.067 15.224 1.00 42.30 N ATOM 0 H HIS A 133 14.626 2.128 18.610 1.00 1.52 H new ATOM 0 HA HIS A 133 13.188 -0.478 18.886 1.00 44.15 H new ATOM 0 HB2 HIS A 133 12.899 0.653 16.686 1.00 23.25 H new ATOM 0 HB3 HIS A 133 14.638 0.801 16.525 1.00 23.25 H new ATOM 0 HD2 HIS A 133 11.849 -1.881 16.035 1.00 1.15 H new ATOM 0 HE1 HIS A 133 15.529 -3.552 14.766 1.00 11.31 H new ATOM 0 HE2 HIS A 133 13.012 -3.868 14.825 1.00 42.30 H new ATOM 2264 N HIS A 134 15.384 -1.780 19.175 1.00 61.44 N ATOM 2265 CA HIS A 134 16.646 -2.492 19.438 1.00 2.32 C ATOM 2266 C HIS A 134 17.127 -3.147 18.121 1.00 11.14 C ATOM 2267 O HIS A 134 16.728 -4.293 17.821 1.00 54.41 O ATOM 2268 CB HIS A 134 16.487 -3.524 20.596 1.00 51.13 C ATOM 2269 CG HIS A 134 17.813 -4.034 21.114 1.00 21.12 C ATOM 2270 ND1 HIS A 134 18.524 -3.384 22.103 1.00 12.11 N ATOM 2271 CD2 HIS A 134 18.576 -5.100 20.757 1.00 63.20 C ATOM 2272 CE1 HIS A 134 19.656 -4.018 22.323 1.00 32.44 C ATOM 2273 NE2 HIS A 134 19.714 -5.059 21.522 1.00 10.21 N ATOM 2274 OXT HIS A 134 17.863 -2.485 17.362 1.00 37.36 O ATOM 0 H HIS A 134 14.553 -2.368 19.241 1.00 61.44 H new ATOM 0 HA HIS A 134 17.406 -1.787 19.774 1.00 2.32 H new ATOM 0 HB2 HIS A 134 15.936 -3.062 21.415 1.00 51.13 H new ATOM 0 HB3 HIS A 134 15.891 -4.367 20.246 1.00 51.13 H new ATOM 0 HD2 HIS A 134 18.332 -5.841 20.010 1.00 63.20 H new ATOM 0 HE1 HIS A 134 20.410 -3.731 23.041 1.00 32.44 H new ATOM 0 HE2 HIS A 134 20.482 -5.729 21.477 1.00 10.21 H new TER 2283 HIS A 134