USER MOD reduce.3.24.130724 H: found=0, std=0, add=1158, rem=0, adj=30 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 62 GLN : amide:sc= 0.511 K(o=0.88,f=-7.9!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -160:sc= 0.365 (180deg=-1.42) USER MOD Set 2.1: A 2 LYS NZ :NH3+ 151:sc= 0.644 (180deg=0.072) USER MOD Set 2.2: A 50 ASN : amide:sc= -0.986! C(o=-0.34!,f=-8.8!) USER MOD Set 3.1: A 33 ASN : amide:sc= -0.207 K(o=-0.91,f=-1.5) USER MOD Set 3.2: A 59 ASN : amide:sc= -0.704 X(o=-0.91,f=-0.43) USER MOD Set 4.1: A 9 THR OG1 : rot 111:sc= 0.421 USER MOD Set 4.2: A 11 ASN :FLIP amide:sc= 0 F(o=-1.7,f=-0.62) USER MOD Set 4.3: A 83 GLN : amide:sc= -1.04 K(o=-0.62,f=-3.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.52 (180deg=1.42) USER MOD Single : A 8 ASN : amide:sc= 0.353 X(o=0.35,f=-0.0033) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -139:sc= 1.07 (180deg=0.0703) USER MOD Single : A 19 LYS NZ :NH3+ 137:sc= 0.827 (180deg=-0.048) USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= 0.392 (180deg=0.0634) USER MOD Single : A 24 ASN : amide:sc= 0.377 X(o=0.38,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 27 TYR OH : rot 63:sc= 0.328 USER MOD Single : A 28 GLN : amide:sc= 0.129 K(o=0.13,f=-3.1!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0.201 (180deg=0.165) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 157:sc= -1.43 (180deg=-2.08) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00932) USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= 0.063 (180deg=-0.522) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= -1.71 (180deg=-3.92!) USER MOD Single : A 58 SER OG : rot -96:sc= 0.391 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 164:sc= -0.404 (180deg=-0.911) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -151:sc= 0.535 USER MOD Single : A 77 LYS NZ :NH3+ -179:sc= -0.0434 (180deg=-0.044) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 172:sc=-0.00129 (180deg=-0.0868) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.204 K(o=-0.2,f=-3.5!) USER MOD Single : A 102 TYR OH : rot -148:sc= -0.352 USER MOD Single : A 106 LYS NZ :NH3+ -165:sc= 0.297 (180deg=0.198) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 151:sc= -0.578 (180deg=-1.95!) USER MOD Single : A 121 MET CE :methyl -173:sc= -2.4 (180deg=-2.76) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HE2:sc= -0.436 K(o=-0.44,f=-2.4) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.513 X(o=-0.51,f=-0.37) USER MOD Single : A 132 HIS : no HE2:sc= -0.196 K(o=-0.2,f=-1) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.088 7.703 15.614 1.00 35.54 N ATOM 2 CA MET A 1 1.929 6.351 16.177 1.00 71.52 C ATOM 3 C MET A 1 2.625 5.319 15.283 1.00 61.34 C ATOM 4 O MET A 1 3.439 4.517 15.759 1.00 63.54 O ATOM 5 CB MET A 1 0.423 6.007 16.365 1.00 20.20 C ATOM 6 CG MET A 1 -0.286 6.805 17.475 1.00 64.43 C ATOM 7 SD MET A 1 -0.301 8.590 17.179 1.00 73.32 S ATOM 8 CE MET A 1 -1.081 9.186 18.684 1.00 33.41 C ATOM 0 H1 MET A 1 1.542 8.382 16.182 1.00 35.54 H new ATOM 0 H2 MET A 1 3.093 7.969 15.629 1.00 35.54 H new ATOM 0 H3 MET A 1 1.741 7.714 14.633 1.00 35.54 H new ATOM 0 HA MET A 1 2.401 6.324 17.159 1.00 71.52 H new ATOM 0 HB2 MET A 1 -0.096 6.182 15.423 1.00 20.20 H new ATOM 0 HB3 MET A 1 0.332 4.944 16.586 1.00 20.20 H new ATOM 0 HG2 MET A 1 -1.313 6.451 17.568 1.00 64.43 H new ATOM 0 HG3 MET A 1 0.207 6.606 18.427 1.00 64.43 H new ATOM 0 HE1 MET A 1 -1.160 10.273 18.647 1.00 33.41 H new ATOM 0 HE2 MET A 1 -2.077 8.753 18.774 1.00 33.41 H new ATOM 0 HE3 MET A 1 -0.480 8.894 19.545 1.00 33.41 H new ATOM 20 N LYS A 2 2.302 5.345 13.974 1.00 33.21 N ATOM 21 CA LYS A 2 2.816 4.354 13.008 1.00 41.13 C ATOM 22 C LYS A 2 2.627 4.830 11.569 1.00 14.45 C ATOM 23 O LYS A 2 1.802 5.704 11.288 1.00 64.23 O ATOM 24 CB LYS A 2 2.124 2.976 13.232 1.00 14.41 C ATOM 25 CG LYS A 2 0.570 3.026 13.212 1.00 13.25 C ATOM 26 CD LYS A 2 -0.063 1.902 14.061 1.00 12.03 C ATOM 27 CE LYS A 2 -1.565 2.109 14.315 1.00 11.32 C ATOM 28 NZ LYS A 2 -2.040 1.351 15.499 1.00 31.31 N ATOM 0 H LYS A 2 1.685 6.045 13.561 1.00 33.21 H new ATOM 0 HA LYS A 2 3.887 4.239 13.176 1.00 41.13 H new ATOM 0 HB2 LYS A 2 2.463 2.284 12.461 1.00 14.41 H new ATOM 0 HB3 LYS A 2 2.450 2.571 14.190 1.00 14.41 H new ATOM 0 HG2 LYS A 2 0.235 3.993 13.586 1.00 13.25 H new ATOM 0 HG3 LYS A 2 0.219 2.943 12.183 1.00 13.25 H new ATOM 0 HD2 LYS A 2 0.086 0.947 13.557 1.00 12.03 H new ATOM 0 HD3 LYS A 2 0.456 1.842 15.018 1.00 12.03 H new ATOM 0 HE2 LYS A 2 -1.765 3.171 14.461 1.00 11.32 H new ATOM 0 HE3 LYS A 2 -2.128 1.796 13.435 1.00 11.32 H new ATOM 0 HZ1 LYS A 2 -2.845 1.849 15.929 1.00 31.31 H new ATOM 0 HZ2 LYS A 2 -2.338 0.399 15.205 1.00 31.31 H new ATOM 0 HZ3 LYS A 2 -1.270 1.273 16.193 1.00 31.31 H new ATOM 42 N ILE A 3 3.426 4.242 10.672 1.00 21.50 N ATOM 43 CA ILE A 3 3.377 4.500 9.231 1.00 51.41 C ATOM 44 C ILE A 3 2.771 3.277 8.529 1.00 14.31 C ATOM 45 O ILE A 3 3.147 2.133 8.830 1.00 53.21 O ATOM 46 CB ILE A 3 4.817 4.816 8.688 1.00 62.52 C ATOM 47 CG1 ILE A 3 5.359 6.116 9.370 1.00 43.13 C ATOM 48 CG2 ILE A 3 4.829 4.937 7.143 1.00 24.21 C ATOM 49 CD1 ILE A 3 6.772 6.513 8.997 1.00 22.22 C ATOM 0 H ILE A 3 4.138 3.560 10.934 1.00 21.50 H new ATOM 0 HA ILE A 3 2.752 5.369 9.027 1.00 51.41 H new ATOM 0 HB ILE A 3 5.477 3.986 8.941 1.00 62.52 H new ATOM 0 HG12 ILE A 3 4.692 6.941 9.120 1.00 43.13 H new ATOM 0 HG13 ILE A 3 5.312 5.984 10.451 1.00 43.13 H new ATOM 0 HG21 ILE A 3 5.841 5.156 6.803 1.00 24.21 H new ATOM 0 HG22 ILE A 3 4.493 3.999 6.702 1.00 24.21 H new ATOM 0 HG23 ILE A 3 4.161 5.742 6.836 1.00 24.21 H new ATOM 0 HD11 ILE A 3 7.045 7.426 9.526 1.00 22.22 H new ATOM 0 HD12 ILE A 3 7.460 5.714 9.274 1.00 22.22 H new ATOM 0 HD13 ILE A 3 6.830 6.685 7.922 1.00 22.22 H new ATOM 61 N LEU A 4 1.821 3.528 7.610 1.00 1.23 N ATOM 62 CA LEU A 4 1.091 2.480 6.894 1.00 22.24 C ATOM 63 C LEU A 4 1.548 2.445 5.430 1.00 73.25 C ATOM 64 O LEU A 4 1.411 3.438 4.701 1.00 15.23 O ATOM 65 CB LEU A 4 -0.441 2.724 6.986 1.00 20.23 C ATOM 66 CG LEU A 4 -1.028 2.872 8.429 1.00 21.14 C ATOM 67 CD1 LEU A 4 -2.558 3.009 8.383 1.00 45.13 C ATOM 68 CD2 LEU A 4 -0.601 1.709 9.357 1.00 74.15 C ATOM 0 H LEU A 4 1.540 4.472 7.346 1.00 1.23 H new ATOM 0 HA LEU A 4 1.306 1.516 7.355 1.00 22.24 H new ATOM 0 HB2 LEU A 4 -0.679 3.627 6.424 1.00 20.23 H new ATOM 0 HB3 LEU A 4 -0.951 1.897 6.491 1.00 20.23 H new ATOM 0 HG LEU A 4 -0.612 3.785 8.854 1.00 21.14 H new ATOM 0 HD11 LEU A 4 -2.945 3.111 9.397 1.00 45.13 H new ATOM 0 HD12 LEU A 4 -2.827 3.891 7.802 1.00 45.13 H new ATOM 0 HD13 LEU A 4 -2.989 2.123 7.917 1.00 45.13 H new ATOM 0 HD21 LEU A 4 -1.033 1.856 10.347 1.00 74.15 H new ATOM 0 HD22 LEU A 4 -0.955 0.765 8.943 1.00 74.15 H new ATOM 0 HD23 LEU A 4 0.486 1.686 9.435 1.00 74.15 H new ATOM 80 N ILE A 5 2.129 1.311 5.024 1.00 60.30 N ATOM 81 CA ILE A 5 2.538 1.074 3.638 1.00 21.22 C ATOM 82 C ILE A 5 1.368 0.376 2.918 1.00 44.23 C ATOM 83 O ILE A 5 1.120 -0.811 3.132 1.00 55.32 O ATOM 84 CB ILE A 5 3.846 0.188 3.557 1.00 41.54 C ATOM 85 CG1 ILE A 5 4.955 0.687 4.551 1.00 74.33 C ATOM 86 CG2 ILE A 5 4.390 0.132 2.105 1.00 71.34 C ATOM 87 CD1 ILE A 5 5.500 2.084 4.287 1.00 31.24 C ATOM 0 H ILE A 5 2.329 0.531 5.650 1.00 60.30 H new ATOM 0 HA ILE A 5 2.774 2.025 3.160 1.00 21.22 H new ATOM 0 HB ILE A 5 3.570 -0.822 3.859 1.00 41.54 H new ATOM 0 HG12 ILE A 5 4.549 0.661 5.562 1.00 74.33 H new ATOM 0 HG13 ILE A 5 5.786 -0.018 4.523 1.00 74.33 H new ATOM 0 HG21 ILE A 5 5.289 -0.483 2.077 1.00 71.34 H new ATOM 0 HG22 ILE A 5 3.634 -0.300 1.450 1.00 71.34 H new ATOM 0 HG23 ILE A 5 4.629 1.140 1.767 1.00 71.34 H new ATOM 0 HD11 ILE A 5 6.258 2.325 5.032 1.00 31.24 H new ATOM 0 HD12 ILE A 5 5.944 2.119 3.292 1.00 31.24 H new ATOM 0 HD13 ILE A 5 4.688 2.809 4.348 1.00 31.24 H new ATOM 99 N LEU A 6 0.628 1.128 2.098 1.00 12.20 N ATOM 100 CA LEU A 6 -0.548 0.609 1.382 1.00 33.02 C ATOM 101 C LEU A 6 -0.048 0.097 0.018 1.00 61.11 C ATOM 102 O LEU A 6 0.644 0.822 -0.690 1.00 61.24 O ATOM 103 CB LEU A 6 -1.615 1.746 1.220 1.00 54.21 C ATOM 104 CG LEU A 6 -3.133 1.317 1.141 1.00 51.41 C ATOM 105 CD1 LEU A 6 -3.415 0.232 0.070 1.00 44.43 C ATOM 106 CD2 LEU A 6 -3.664 0.885 2.528 1.00 62.05 C ATOM 0 H LEU A 6 0.824 2.111 1.910 1.00 12.20 H new ATOM 0 HA LEU A 6 -1.030 -0.202 1.928 1.00 33.02 H new ATOM 0 HB2 LEU A 6 -1.503 2.434 2.058 1.00 54.21 H new ATOM 0 HB3 LEU A 6 -1.376 2.305 0.315 1.00 54.21 H new ATOM 0 HG LEU A 6 -3.679 2.204 0.820 1.00 51.41 H new ATOM 0 HD11 LEU A 6 -4.477 -0.014 0.072 1.00 44.43 H new ATOM 0 HD12 LEU A 6 -3.131 0.609 -0.913 1.00 44.43 H new ATOM 0 HD13 LEU A 6 -2.835 -0.663 0.297 1.00 44.43 H new ATOM 0 HD21 LEU A 6 -4.711 0.595 2.443 1.00 62.05 H new ATOM 0 HD22 LEU A 6 -3.082 0.039 2.893 1.00 62.05 H new ATOM 0 HD23 LEU A 6 -3.573 1.716 3.227 1.00 62.05 H new ATOM 118 N ILE A 7 -0.354 -1.160 -0.333 1.00 23.35 N ATOM 119 CA ILE A 7 0.082 -1.763 -1.607 1.00 74.51 C ATOM 120 C ILE A 7 -1.108 -2.439 -2.311 1.00 34.30 C ATOM 121 O ILE A 7 -1.817 -3.264 -1.722 1.00 62.44 O ATOM 122 CB ILE A 7 1.260 -2.797 -1.387 1.00 42.43 C ATOM 123 CG1 ILE A 7 2.499 -2.067 -0.765 1.00 35.14 C ATOM 124 CG2 ILE A 7 1.639 -3.524 -2.712 1.00 13.24 C ATOM 125 CD1 ILE A 7 3.698 -2.943 -0.504 1.00 41.43 C ATOM 0 H ILE A 7 -0.907 -1.787 0.252 1.00 23.35 H new ATOM 0 HA ILE A 7 0.461 -0.964 -2.244 1.00 74.51 H new ATOM 0 HB ILE A 7 0.920 -3.564 -0.691 1.00 42.43 H new ATOM 0 HG12 ILE A 7 2.798 -1.260 -1.434 1.00 35.14 H new ATOM 0 HG13 ILE A 7 2.195 -1.606 0.175 1.00 35.14 H new ATOM 0 HG21 ILE A 7 2.451 -4.226 -2.522 1.00 13.24 H new ATOM 0 HG22 ILE A 7 0.772 -4.066 -3.091 1.00 13.24 H new ATOM 0 HG23 ILE A 7 1.959 -2.790 -3.451 1.00 13.24 H new ATOM 0 HD11 ILE A 7 4.500 -2.343 -0.074 1.00 41.43 H new ATOM 0 HD12 ILE A 7 3.425 -3.736 0.192 1.00 41.43 H new ATOM 0 HD13 ILE A 7 4.037 -3.384 -1.441 1.00 41.43 H new ATOM 137 N ASN A 8 -1.332 -2.036 -3.567 1.00 11.03 N ATOM 138 CA ASN A 8 -2.227 -2.707 -4.510 1.00 51.43 C ATOM 139 C ASN A 8 -1.356 -3.253 -5.638 1.00 54.54 C ATOM 140 O ASN A 8 -0.680 -2.485 -6.328 1.00 64.45 O ATOM 141 CB ASN A 8 -3.282 -1.718 -5.069 1.00 44.33 C ATOM 142 CG ASN A 8 -4.180 -2.324 -6.160 1.00 51.02 C ATOM 143 OD1 ASN A 8 -3.866 -2.259 -7.351 1.00 62.22 O ATOM 144 ND2 ASN A 8 -5.298 -2.914 -5.767 1.00 42.41 N ATOM 0 H ASN A 8 -0.882 -1.211 -3.964 1.00 11.03 H new ATOM 0 HA ASN A 8 -2.773 -3.510 -4.015 1.00 51.43 H new ATOM 0 HB2 ASN A 8 -3.908 -1.367 -4.249 1.00 44.33 H new ATOM 0 HB3 ASN A 8 -2.770 -0.846 -5.475 1.00 44.33 H new ATOM 0 HD21 ASN A 8 -5.925 -3.330 -6.456 1.00 42.41 H new ATOM 0 HD22 ASN A 8 -5.533 -2.953 -4.775 1.00 42.41 H new ATOM 151 N THR A 9 -1.324 -4.575 -5.779 1.00 12.34 N ATOM 152 CA THR A 9 -0.635 -5.241 -6.885 1.00 64.30 C ATOM 153 C THR A 9 -1.650 -6.060 -7.679 1.00 42.53 C ATOM 154 O THR A 9 -2.615 -6.595 -7.118 1.00 71.10 O ATOM 155 CB THR A 9 0.558 -6.135 -6.399 1.00 64.25 C ATOM 156 OG1 THR A 9 1.160 -6.801 -7.525 1.00 53.34 O ATOM 157 CG2 THR A 9 0.144 -7.175 -5.340 1.00 73.31 C ATOM 0 H THR A 9 -1.776 -5.218 -5.129 1.00 12.34 H new ATOM 0 HA THR A 9 -0.195 -4.476 -7.525 1.00 64.30 H new ATOM 0 HB THR A 9 1.277 -5.468 -5.923 1.00 64.25 H new ATOM 0 HG1 THR A 9 2.053 -6.430 -7.686 1.00 53.34 H new ATOM 0 HG21 THR A 9 1.015 -7.761 -5.046 1.00 73.31 H new ATOM 0 HG22 THR A 9 -0.261 -6.664 -4.467 1.00 73.31 H new ATOM 0 HG23 THR A 9 -0.615 -7.837 -5.757 1.00 73.31 H new ATOM 165 N ASN A 10 -1.441 -6.117 -8.995 1.00 54.30 N ATOM 166 CA ASN A 10 -2.295 -6.872 -9.923 1.00 1.42 C ATOM 167 C ASN A 10 -1.972 -8.378 -9.827 1.00 24.04 C ATOM 168 O ASN A 10 -2.835 -9.233 -10.043 1.00 23.50 O ATOM 169 CB ASN A 10 -2.059 -6.341 -11.368 1.00 53.21 C ATOM 170 CG ASN A 10 -2.954 -6.994 -12.428 1.00 53.02 C ATOM 171 OD1 ASN A 10 -2.618 -8.041 -12.984 1.00 53.40 O ATOM 172 ND2 ASN A 10 -4.087 -6.373 -12.730 1.00 5.41 N ATOM 0 H ASN A 10 -0.667 -5.637 -9.455 1.00 54.30 H new ATOM 0 HA ASN A 10 -3.345 -6.737 -9.662 1.00 1.42 H new ATOM 0 HB2 ASN A 10 -2.226 -5.264 -11.380 1.00 53.21 H new ATOM 0 HB3 ASN A 10 -1.016 -6.504 -11.638 1.00 53.21 H new ATOM 0 HD21 ASN A 10 -4.708 -6.761 -13.440 1.00 5.41 H new ATOM 0 HD22 ASN A 10 -4.337 -5.508 -12.252 1.00 5.41 H new ATOM 179 N ASN A 11 -0.717 -8.674 -9.461 1.00 70.24 N ATOM 180 CA ASN A 11 -0.152 -10.033 -9.510 1.00 23.35 C ATOM 181 C ASN A 11 -0.209 -10.723 -8.135 1.00 30.34 C ATOM 182 O ASN A 11 0.098 -10.106 -7.111 1.00 74.53 O ATOM 183 CB ASN A 11 1.310 -9.969 -10.017 1.00 20.33 C ATOM 184 CG ASN A 11 1.416 -9.341 -11.406 1.00 65.40 C ATOM 185 OD1 ASN A 11 1.681 -8.042 -11.468 1.00 52.20 O flip ATOM 186 ND2 ASN A 11 1.264 -10.022 -12.418 1.00 53.22 N flip ATOM 0 H ASN A 11 -0.059 -7.973 -9.120 1.00 70.24 H new ATOM 0 HA ASN A 11 -0.754 -10.626 -10.199 1.00 23.35 H new ATOM 0 HB2 ASN A 11 1.911 -9.393 -9.314 1.00 20.33 H new ATOM 0 HB3 ASN A 11 1.727 -10.976 -10.043 1.00 20.33 H new ATOM 0 HD21 ASN A 11 1.061 -11.018 -12.337 1.00 53.22 H new ATOM 0 HD22 ASN A 11 1.341 -9.591 -13.339 1.00 53.22 H new ATOM 193 N ASP A 12 -0.577 -12.020 -8.160 1.00 74.33 N ATOM 194 CA ASP A 12 -0.688 -12.889 -6.962 1.00 4.34 C ATOM 195 C ASP A 12 0.700 -13.211 -6.386 1.00 51.24 C ATOM 196 O ASP A 12 0.863 -13.371 -5.167 1.00 52.43 O ATOM 197 CB ASP A 12 -1.418 -14.218 -7.312 1.00 52.11 C ATOM 198 CG ASP A 12 -2.793 -14.000 -7.955 1.00 53.15 C ATOM 199 OD1 ASP A 12 -3.793 -13.866 -7.225 1.00 53.32 O ATOM 200 OD2 ASP A 12 -2.882 -13.951 -9.199 1.00 30.23 O ATOM 0 H ASP A 12 -0.810 -12.505 -9.026 1.00 74.33 H new ATOM 0 HA ASP A 12 -1.266 -12.346 -6.215 1.00 4.34 H new ATOM 0 HB2 ASP A 12 -0.795 -14.800 -7.991 1.00 52.11 H new ATOM 0 HB3 ASP A 12 -1.538 -14.809 -6.404 1.00 52.11 H new ATOM 205 N GLU A 13 1.694 -13.320 -7.292 1.00 3.24 N ATOM 206 CA GLU A 13 3.085 -13.623 -6.930 1.00 75.12 C ATOM 207 C GLU A 13 3.714 -12.453 -6.169 1.00 33.03 C ATOM 208 O GLU A 13 4.426 -12.660 -5.196 1.00 74.12 O ATOM 209 CB GLU A 13 3.924 -13.981 -8.185 1.00 31.21 C ATOM 210 CG GLU A 13 3.449 -15.256 -8.903 1.00 50.22 C ATOM 211 CD GLU A 13 4.316 -15.619 -10.113 1.00 24.13 C ATOM 212 OE1 GLU A 13 5.311 -16.355 -9.940 1.00 41.24 O ATOM 213 OE2 GLU A 13 4.019 -15.155 -11.233 1.00 75.41 O ATOM 0 H GLU A 13 1.550 -13.199 -8.294 1.00 3.24 H new ATOM 0 HA GLU A 13 3.079 -14.493 -6.273 1.00 75.12 H new ATOM 0 HB2 GLU A 13 3.889 -13.146 -8.885 1.00 31.21 H new ATOM 0 HB3 GLU A 13 4.966 -14.107 -7.891 1.00 31.21 H new ATOM 0 HG2 GLU A 13 3.453 -16.087 -8.197 1.00 50.22 H new ATOM 0 HG3 GLU A 13 2.418 -15.120 -9.229 1.00 50.22 H new ATOM 220 N LEU A 14 3.411 -11.217 -6.594 1.00 0.42 N ATOM 221 CA LEU A 14 3.970 -10.005 -5.956 1.00 33.24 C ATOM 222 C LEU A 14 3.444 -9.800 -4.533 1.00 22.11 C ATOM 223 O LEU A 14 4.098 -9.134 -3.744 1.00 45.02 O ATOM 224 CB LEU A 14 3.771 -8.739 -6.833 1.00 32.41 C ATOM 225 CG LEU A 14 4.879 -8.518 -7.914 1.00 14.30 C ATOM 226 CD1 LEU A 14 6.277 -8.375 -7.249 1.00 62.53 C ATOM 227 CD2 LEU A 14 4.868 -9.640 -8.985 1.00 25.23 C ATOM 0 H LEU A 14 2.784 -11.026 -7.375 1.00 0.42 H new ATOM 0 HA LEU A 14 5.044 -10.169 -5.872 1.00 33.24 H new ATOM 0 HB2 LEU A 14 2.804 -8.806 -7.331 1.00 32.41 H new ATOM 0 HB3 LEU A 14 3.735 -7.864 -6.183 1.00 32.41 H new ATOM 0 HG LEU A 14 4.657 -7.585 -8.432 1.00 14.30 H new ATOM 0 HD11 LEU A 14 7.033 -8.222 -8.020 1.00 62.53 H new ATOM 0 HD12 LEU A 14 6.272 -7.521 -6.571 1.00 62.53 H new ATOM 0 HD13 LEU A 14 6.508 -9.281 -6.689 1.00 62.53 H new ATOM 0 HD21 LEU A 14 5.652 -9.451 -9.718 1.00 25.23 H new ATOM 0 HD22 LEU A 14 5.045 -10.603 -8.505 1.00 25.23 H new ATOM 0 HD23 LEU A 14 3.900 -9.656 -9.485 1.00 25.23 H new ATOM 239 N ILE A 15 2.270 -10.370 -4.223 1.00 50.41 N ATOM 240 CA ILE A 15 1.744 -10.395 -2.844 1.00 54.44 C ATOM 241 C ILE A 15 2.768 -11.084 -1.901 1.00 3.32 C ATOM 242 O ILE A 15 3.299 -10.449 -0.982 1.00 65.03 O ATOM 243 CB ILE A 15 0.345 -11.121 -2.772 1.00 73.23 C ATOM 244 CG1 ILE A 15 -0.678 -10.431 -3.738 1.00 53.31 C ATOM 245 CG2 ILE A 15 -0.203 -11.169 -1.318 1.00 12.34 C ATOM 246 CD1 ILE A 15 -2.029 -11.116 -3.840 1.00 23.42 C ATOM 0 H ILE A 15 1.664 -10.821 -4.908 1.00 50.41 H new ATOM 0 HA ILE A 15 1.594 -9.366 -2.517 1.00 54.44 H new ATOM 0 HB ILE A 15 0.486 -12.152 -3.096 1.00 73.23 H new ATOM 0 HG12 ILE A 15 -0.833 -9.404 -3.406 1.00 53.31 H new ATOM 0 HG13 ILE A 15 -0.237 -10.381 -4.734 1.00 53.31 H new ATOM 0 HG21 ILE A 15 -1.168 -11.676 -1.309 1.00 12.34 H new ATOM 0 HG22 ILE A 15 0.498 -11.711 -0.683 1.00 12.34 H new ATOM 0 HG23 ILE A 15 -0.324 -10.153 -0.941 1.00 12.34 H new ATOM 0 HD11 ILE A 15 -2.666 -10.564 -4.531 1.00 23.42 H new ATOM 0 HD12 ILE A 15 -1.894 -12.134 -4.205 1.00 23.42 H new ATOM 0 HD13 ILE A 15 -2.499 -11.143 -2.857 1.00 23.42 H new ATOM 258 N LYS A 16 3.110 -12.354 -2.217 1.00 52.54 N ATOM 259 CA LYS A 16 3.986 -13.194 -1.368 1.00 53.03 C ATOM 260 C LYS A 16 5.466 -12.733 -1.407 1.00 41.31 C ATOM 261 O LYS A 16 6.168 -12.831 -0.397 1.00 43.14 O ATOM 262 CB LYS A 16 3.868 -14.696 -1.774 1.00 1.22 C ATOM 263 CG LYS A 16 4.331 -15.010 -3.216 1.00 42.25 C ATOM 264 CD LYS A 16 4.282 -16.508 -3.588 1.00 35.23 C ATOM 265 CE LYS A 16 4.780 -16.770 -5.024 1.00 13.13 C ATOM 266 NZ LYS A 16 4.732 -18.214 -5.370 1.00 13.40 N ATOM 0 H LYS A 16 2.788 -12.824 -3.063 1.00 52.54 H new ATOM 0 HA LYS A 16 3.642 -13.077 -0.340 1.00 53.03 H new ATOM 0 HB2 LYS A 16 4.457 -15.294 -1.079 1.00 1.22 H new ATOM 0 HB3 LYS A 16 2.830 -15.008 -1.663 1.00 1.22 H new ATOM 0 HG2 LYS A 16 3.706 -14.454 -3.915 1.00 42.25 H new ATOM 0 HG3 LYS A 16 5.352 -14.649 -3.344 1.00 42.25 H new ATOM 0 HD2 LYS A 16 4.892 -17.075 -2.885 1.00 35.23 H new ATOM 0 HD3 LYS A 16 3.259 -16.872 -3.488 1.00 35.23 H new ATOM 0 HE2 LYS A 16 4.169 -16.207 -5.729 1.00 13.13 H new ATOM 0 HE3 LYS A 16 5.802 -16.406 -5.126 1.00 13.13 H new ATOM 0 HZ1 LYS A 16 5.074 -18.349 -6.343 1.00 13.40 H new ATOM 0 HZ2 LYS A 16 5.335 -18.749 -4.713 1.00 13.40 H new ATOM 0 HZ3 LYS A 16 3.753 -18.556 -5.297 1.00 13.40 H new ATOM 280 N LYS A 17 5.926 -12.218 -2.571 1.00 30.10 N ATOM 281 CA LYS A 17 7.332 -11.780 -2.763 1.00 31.33 C ATOM 282 C LYS A 17 7.627 -10.496 -1.972 1.00 54.50 C ATOM 283 O LYS A 17 8.674 -10.393 -1.315 1.00 54.01 O ATOM 284 CB LYS A 17 7.646 -11.575 -4.268 1.00 64.52 C ATOM 285 CG LYS A 17 7.509 -12.862 -5.105 1.00 3.34 C ATOM 286 CD LYS A 17 7.769 -12.635 -6.613 1.00 31.31 C ATOM 287 CE LYS A 17 9.239 -12.325 -6.932 1.00 33.04 C ATOM 288 NZ LYS A 17 9.496 -12.321 -8.394 1.00 62.31 N ATOM 0 H LYS A 17 5.341 -12.094 -3.397 1.00 30.10 H new ATOM 0 HA LYS A 17 7.980 -12.569 -2.380 1.00 31.33 H new ATOM 0 HB2 LYS A 17 6.976 -10.816 -4.671 1.00 64.52 H new ATOM 0 HB3 LYS A 17 8.661 -11.191 -4.370 1.00 64.52 H new ATOM 0 HG2 LYS A 17 8.209 -13.609 -4.730 1.00 3.34 H new ATOM 0 HG3 LYS A 17 6.507 -13.270 -4.972 1.00 3.34 H new ATOM 0 HD2 LYS A 17 7.463 -13.523 -7.166 1.00 31.31 H new ATOM 0 HD3 LYS A 17 7.146 -11.812 -6.963 1.00 31.31 H new ATOM 0 HE2 LYS A 17 9.505 -11.354 -6.513 1.00 33.04 H new ATOM 0 HE3 LYS A 17 9.879 -13.065 -6.452 1.00 33.04 H new ATOM 0 HZ1 LYS A 17 10.405 -12.788 -8.588 1.00 62.31 H new ATOM 0 HZ2 LYS A 17 8.733 -12.832 -8.882 1.00 62.31 H new ATOM 0 HZ3 LYS A 17 9.531 -11.340 -8.738 1.00 62.31 H new ATOM 302 N ILE A 18 6.685 -9.528 -2.044 1.00 73.44 N ATOM 303 CA ILE A 18 6.743 -8.290 -1.245 1.00 53.22 C ATOM 304 C ILE A 18 6.697 -8.643 0.255 1.00 61.33 C ATOM 305 O ILE A 18 7.457 -8.074 1.038 1.00 44.11 O ATOM 306 CB ILE A 18 5.590 -7.279 -1.649 1.00 62.15 C ATOM 307 CG1 ILE A 18 5.872 -6.659 -3.068 1.00 55.51 C ATOM 308 CG2 ILE A 18 5.391 -6.166 -0.592 1.00 11.22 C ATOM 309 CD1 ILE A 18 4.771 -5.764 -3.622 1.00 61.44 C ATOM 0 H ILE A 18 5.870 -9.585 -2.654 1.00 73.44 H new ATOM 0 HA ILE A 18 7.684 -7.781 -1.453 1.00 53.22 H new ATOM 0 HB ILE A 18 4.661 -7.847 -1.692 1.00 62.15 H new ATOM 0 HG12 ILE A 18 6.795 -6.081 -3.016 1.00 55.51 H new ATOM 0 HG13 ILE A 18 6.045 -7.472 -3.773 1.00 55.51 H new ATOM 0 HG21 ILE A 18 4.591 -5.498 -0.913 1.00 11.22 H new ATOM 0 HG22 ILE A 18 5.126 -6.616 0.365 1.00 11.22 H new ATOM 0 HG23 ILE A 18 6.315 -5.599 -0.483 1.00 11.22 H new ATOM 0 HD11 ILE A 18 5.065 -5.389 -4.602 1.00 61.44 H new ATOM 0 HD12 ILE A 18 3.848 -6.337 -3.715 1.00 61.44 H new ATOM 0 HD13 ILE A 18 4.610 -4.924 -2.946 1.00 61.44 H new ATOM 321 N LYS A 19 5.854 -9.645 0.626 1.00 32.14 N ATOM 322 CA LYS A 19 5.770 -10.141 2.020 1.00 64.03 C ATOM 323 C LYS A 19 7.142 -10.613 2.539 1.00 2.32 C ATOM 324 O LYS A 19 7.465 -10.372 3.695 1.00 33.41 O ATOM 325 CB LYS A 19 4.740 -11.289 2.175 1.00 12.11 C ATOM 326 CG LYS A 19 3.269 -10.847 2.122 1.00 55.34 C ATOM 327 CD LYS A 19 2.310 -12.044 2.274 1.00 71.23 C ATOM 328 CE LYS A 19 0.846 -11.621 2.339 1.00 55.11 C ATOM 329 NZ LYS A 19 -0.056 -12.782 2.545 1.00 72.35 N ATOM 0 H LYS A 19 5.226 -10.121 -0.022 1.00 32.14 H new ATOM 0 HA LYS A 19 5.434 -9.294 2.619 1.00 64.03 H new ATOM 0 HB2 LYS A 19 4.913 -12.022 1.387 1.00 12.11 H new ATOM 0 HB3 LYS A 19 4.919 -11.793 3.125 1.00 12.11 H new ATOM 0 HG2 LYS A 19 3.077 -10.124 2.915 1.00 55.34 H new ATOM 0 HG3 LYS A 19 3.074 -10.342 1.176 1.00 55.34 H new ATOM 0 HD2 LYS A 19 2.450 -12.725 1.435 1.00 71.23 H new ATOM 0 HD3 LYS A 19 2.565 -12.596 3.179 1.00 71.23 H new ATOM 0 HE2 LYS A 19 0.710 -10.907 3.151 1.00 55.11 H new ATOM 0 HE3 LYS A 19 0.574 -11.109 1.416 1.00 55.11 H new ATOM 0 HZ1 LYS A 19 -0.782 -12.537 3.248 1.00 72.35 H new ATOM 0 HZ2 LYS A 19 -0.515 -13.029 1.645 1.00 72.35 H new ATOM 0 HZ3 LYS A 19 0.496 -13.594 2.886 1.00 72.35 H new ATOM 343 N LYS A 20 7.937 -11.268 1.670 1.00 33.41 N ATOM 344 CA LYS A 20 9.277 -11.766 2.042 1.00 63.43 C ATOM 345 C LYS A 20 10.257 -10.603 2.280 1.00 34.34 C ATOM 346 O LYS A 20 10.971 -10.584 3.293 1.00 12.11 O ATOM 347 CB LYS A 20 9.820 -12.737 0.955 1.00 72.24 C ATOM 348 CG LYS A 20 8.993 -14.036 0.721 1.00 62.34 C ATOM 349 CD LYS A 20 9.052 -15.082 1.883 1.00 13.25 C ATOM 350 CE LYS A 20 8.107 -14.782 3.065 1.00 41.41 C ATOM 351 NZ LYS A 20 8.182 -15.825 4.123 1.00 54.02 N ATOM 0 H LYS A 20 7.674 -11.465 0.704 1.00 33.41 H new ATOM 0 HA LYS A 20 9.185 -12.317 2.978 1.00 63.43 H new ATOM 0 HB2 LYS A 20 9.882 -12.195 0.011 1.00 72.24 H new ATOM 0 HB3 LYS A 20 10.837 -13.022 1.226 1.00 72.24 H new ATOM 0 HG2 LYS A 20 7.952 -13.760 0.555 1.00 62.34 H new ATOM 0 HG3 LYS A 20 9.346 -14.513 -0.194 1.00 62.34 H new ATOM 0 HD2 LYS A 20 8.809 -16.066 1.481 1.00 13.25 H new ATOM 0 HD3 LYS A 20 10.075 -15.134 2.256 1.00 13.25 H new ATOM 0 HE2 LYS A 20 8.361 -13.813 3.494 1.00 41.41 H new ATOM 0 HE3 LYS A 20 7.083 -14.710 2.700 1.00 41.41 H new ATOM 0 HZ1 LYS A 20 7.232 -15.994 4.511 1.00 54.02 H new ATOM 0 HZ2 LYS A 20 8.552 -16.707 3.715 1.00 54.02 H new ATOM 0 HZ3 LYS A 20 8.815 -15.503 4.883 1.00 54.02 H new ATOM 365 N GLU A 21 10.306 -9.664 1.315 1.00 62.31 N ATOM 366 CA GLU A 21 11.122 -8.427 1.413 1.00 14.21 C ATOM 367 C GLU A 21 10.882 -7.679 2.744 1.00 24.32 C ATOM 368 O GLU A 21 11.834 -7.339 3.449 1.00 21.05 O ATOM 369 CB GLU A 21 10.848 -7.493 0.202 1.00 21.41 C ATOM 370 CG GLU A 21 11.162 -8.119 -1.177 1.00 75.32 C ATOM 371 CD GLU A 21 12.640 -8.518 -1.365 1.00 42.40 C ATOM 372 OE1 GLU A 21 13.020 -9.657 -1.008 1.00 20.04 O ATOM 373 OE2 GLU A 21 13.434 -7.695 -1.872 1.00 74.31 O ATOM 0 H GLU A 21 9.782 -9.737 0.443 1.00 62.31 H new ATOM 0 HA GLU A 21 12.170 -8.727 1.394 1.00 14.21 H new ATOM 0 HB2 GLU A 21 9.800 -7.194 0.220 1.00 21.41 H new ATOM 0 HB3 GLU A 21 11.441 -6.586 0.318 1.00 21.41 H new ATOM 0 HG2 GLU A 21 10.538 -9.002 -1.314 1.00 75.32 H new ATOM 0 HG3 GLU A 21 10.886 -7.410 -1.957 1.00 75.32 H new ATOM 380 N VAL A 22 9.601 -7.503 3.103 1.00 24.11 N ATOM 381 CA VAL A 22 9.189 -6.688 4.267 1.00 21.13 C ATOM 382 C VAL A 22 9.248 -7.477 5.595 1.00 3.15 C ATOM 383 O VAL A 22 9.311 -6.875 6.677 1.00 42.40 O ATOM 384 CB VAL A 22 7.745 -6.107 4.057 1.00 32.12 C ATOM 385 CG1 VAL A 22 7.625 -5.441 2.674 1.00 61.54 C ATOM 386 CG2 VAL A 22 6.648 -7.171 4.249 1.00 65.04 C ATOM 0 H VAL A 22 8.819 -7.919 2.598 1.00 24.11 H new ATOM 0 HA VAL A 22 9.904 -5.868 4.340 1.00 21.13 H new ATOM 0 HB VAL A 22 7.590 -5.351 4.827 1.00 32.12 H new ATOM 0 HG11 VAL A 22 6.618 -5.045 2.547 1.00 61.54 H new ATOM 0 HG12 VAL A 22 8.347 -4.628 2.598 1.00 61.54 H new ATOM 0 HG13 VAL A 22 7.825 -6.178 1.897 1.00 61.54 H new ATOM 0 HG21 VAL A 22 5.669 -6.717 4.093 1.00 65.04 H new ATOM 0 HG22 VAL A 22 6.793 -7.977 3.530 1.00 65.04 H new ATOM 0 HG23 VAL A 22 6.704 -7.573 5.261 1.00 65.04 H new ATOM 396 N GLU A 23 9.213 -8.824 5.486 1.00 32.22 N ATOM 397 CA GLU A 23 9.269 -9.745 6.643 1.00 14.44 C ATOM 398 C GLU A 23 10.605 -9.585 7.383 1.00 35.02 C ATOM 399 O GLU A 23 10.656 -9.569 8.617 1.00 62.45 O ATOM 400 CB GLU A 23 9.067 -11.211 6.160 1.00 44.12 C ATOM 401 CG GLU A 23 8.859 -12.254 7.272 1.00 34.52 C ATOM 402 CD GLU A 23 8.574 -13.660 6.717 1.00 14.21 C ATOM 403 OE1 GLU A 23 9.540 -14.410 6.453 1.00 13.13 O ATOM 404 OE2 GLU A 23 7.389 -14.019 6.521 1.00 70.20 O ATOM 0 H GLU A 23 9.145 -9.305 4.589 1.00 32.22 H new ATOM 0 HA GLU A 23 8.467 -9.499 7.339 1.00 14.44 H new ATOM 0 HB2 GLU A 23 8.205 -11.240 5.494 1.00 44.12 H new ATOM 0 HB3 GLU A 23 9.936 -11.503 5.570 1.00 44.12 H new ATOM 0 HG2 GLU A 23 9.747 -12.289 7.903 1.00 34.52 H new ATOM 0 HG3 GLU A 23 8.029 -11.943 7.907 1.00 34.52 H new ATOM 411 N ASN A 24 11.677 -9.406 6.594 1.00 45.21 N ATOM 412 CA ASN A 24 13.045 -9.203 7.108 1.00 14.33 C ATOM 413 C ASN A 24 13.305 -7.726 7.474 1.00 54.05 C ATOM 414 O ASN A 24 14.403 -7.390 7.921 1.00 2.33 O ATOM 415 CB ASN A 24 14.089 -9.684 6.064 1.00 33.20 C ATOM 416 CG ASN A 24 13.974 -11.177 5.742 1.00 33.41 C ATOM 417 OD1 ASN A 24 14.518 -12.025 6.450 1.00 44.43 O ATOM 418 ND2 ASN A 24 13.292 -11.517 4.666 1.00 53.14 N ATOM 0 H ASN A 24 11.620 -9.398 5.576 1.00 45.21 H new ATOM 0 HA ASN A 24 13.145 -9.795 8.018 1.00 14.33 H new ATOM 0 HB2 ASN A 24 13.966 -9.110 5.146 1.00 33.20 H new ATOM 0 HB3 ASN A 24 15.091 -9.476 6.439 1.00 33.20 H new ATOM 0 HD21 ASN A 24 13.207 -12.499 4.405 1.00 53.14 H new ATOM 0 HD22 ASN A 24 12.850 -10.798 4.094 1.00 53.14 H new ATOM 425 N GLN A 25 12.304 -6.841 7.255 1.00 62.12 N ATOM 426 CA GLN A 25 12.418 -5.387 7.551 1.00 54.22 C ATOM 427 C GLN A 25 11.533 -4.975 8.752 1.00 12.33 C ATOM 428 O GLN A 25 11.567 -3.811 9.171 1.00 12.13 O ATOM 429 CB GLN A 25 12.034 -4.546 6.299 1.00 33.43 C ATOM 430 CG GLN A 25 12.852 -4.840 5.023 1.00 62.23 C ATOM 431 CD GLN A 25 14.353 -4.601 5.156 1.00 2.22 C ATOM 432 OE1 GLN A 25 14.841 -3.493 4.947 1.00 64.10 O ATOM 433 NE2 GLN A 25 15.103 -5.638 5.469 1.00 14.42 N ATOM 0 H GLN A 25 11.398 -7.109 6.870 1.00 62.12 H new ATOM 0 HA GLN A 25 13.457 -5.189 7.815 1.00 54.22 H new ATOM 0 HB2 GLN A 25 10.979 -4.714 6.080 1.00 33.43 H new ATOM 0 HB3 GLN A 25 12.144 -3.490 6.545 1.00 33.43 H new ATOM 0 HG2 GLN A 25 12.688 -5.878 4.734 1.00 62.23 H new ATOM 0 HG3 GLN A 25 12.470 -4.219 4.212 1.00 62.23 H new ATOM 0 HE21 GLN A 25 14.672 -6.547 5.637 1.00 14.42 H new ATOM 0 HE22 GLN A 25 16.115 -5.532 5.543 1.00 14.42 H new ATOM 442 N GLY A 26 10.756 -5.934 9.297 1.00 3.33 N ATOM 443 CA GLY A 26 9.873 -5.681 10.449 1.00 71.25 C ATOM 444 C GLY A 26 8.602 -4.901 10.108 1.00 42.34 C ATOM 445 O GLY A 26 8.107 -4.121 10.936 1.00 14.14 O ATOM 0 H GLY A 26 10.724 -6.894 8.954 1.00 3.33 H new ATOM 0 HA2 GLY A 26 9.591 -6.636 10.893 1.00 71.25 H new ATOM 0 HA3 GLY A 26 10.431 -5.130 11.206 1.00 71.25 H new ATOM 449 N TYR A 27 8.074 -5.109 8.893 1.00 74.12 N ATOM 450 CA TYR A 27 6.804 -4.500 8.434 1.00 11.40 C ATOM 451 C TYR A 27 5.723 -5.591 8.330 1.00 1.13 C ATOM 452 O TYR A 27 5.783 -6.461 7.454 1.00 64.53 O ATOM 453 CB TYR A 27 7.025 -3.739 7.090 1.00 3.01 C ATOM 454 CG TYR A 27 7.660 -2.345 7.283 1.00 14.51 C ATOM 455 CD1 TYR A 27 8.988 -2.203 7.704 1.00 51.14 C ATOM 456 CD2 TYR A 27 6.921 -1.174 7.080 1.00 45.35 C ATOM 457 CE1 TYR A 27 9.550 -0.953 7.912 1.00 5.55 C ATOM 458 CE2 TYR A 27 7.480 0.078 7.291 1.00 40.10 C ATOM 459 CZ TYR A 27 8.794 0.184 7.704 1.00 12.13 C ATOM 460 OH TYR A 27 9.347 1.431 7.925 1.00 64.12 O ATOM 0 H TYR A 27 8.514 -5.707 8.193 1.00 74.12 H new ATOM 0 HA TYR A 27 6.457 -3.762 9.157 1.00 11.40 H new ATOM 0 HB2 TYR A 27 7.665 -4.337 6.441 1.00 3.01 H new ATOM 0 HB3 TYR A 27 6.068 -3.629 6.580 1.00 3.01 H new ATOM 0 HD1 TYR A 27 9.587 -3.086 7.870 1.00 51.14 H new ATOM 0 HD2 TYR A 27 5.894 -1.247 6.752 1.00 45.35 H new ATOM 0 HE1 TYR A 27 10.577 -0.868 8.236 1.00 5.55 H new ATOM 0 HE2 TYR A 27 6.889 0.968 7.133 1.00 40.10 H new ATOM 0 HH TYR A 27 10.094 1.572 7.306 1.00 64.12 H new ATOM 470 N GLN A 28 4.747 -5.533 9.259 1.00 30.33 N ATOM 471 CA GLN A 28 3.745 -6.594 9.479 1.00 73.14 C ATOM 472 C GLN A 28 2.573 -6.461 8.483 1.00 41.34 C ATOM 473 O GLN A 28 1.804 -5.495 8.546 1.00 50.23 O ATOM 474 CB GLN A 28 3.226 -6.519 10.942 1.00 64.10 C ATOM 475 CG GLN A 28 4.329 -6.532 12.033 1.00 31.44 C ATOM 476 CD GLN A 28 5.071 -7.870 12.220 1.00 32.21 C ATOM 477 OE1 GLN A 28 5.247 -8.660 11.291 1.00 74.34 O ATOM 478 NE2 GLN A 28 5.541 -8.126 13.433 1.00 22.51 N ATOM 0 H GLN A 28 4.632 -4.737 9.886 1.00 30.33 H new ATOM 0 HA GLN A 28 4.215 -7.563 9.312 1.00 73.14 H new ATOM 0 HB2 GLN A 28 2.635 -5.610 11.055 1.00 64.10 H new ATOM 0 HB3 GLN A 28 2.554 -7.360 11.116 1.00 64.10 H new ATOM 0 HG2 GLN A 28 5.062 -5.762 11.791 1.00 31.44 H new ATOM 0 HG3 GLN A 28 3.876 -6.253 12.984 1.00 31.44 H new ATOM 0 HE21 GLN A 28 5.386 -7.461 14.191 1.00 22.51 H new ATOM 0 HE22 GLN A 28 6.057 -8.988 13.608 1.00 22.51 H new ATOM 487 N VAL A 29 2.440 -7.460 7.591 1.00 40.40 N ATOM 488 CA VAL A 29 1.440 -7.444 6.496 1.00 31.02 C ATOM 489 C VAL A 29 0.056 -7.894 7.000 1.00 43.12 C ATOM 490 O VAL A 29 -0.051 -8.803 7.830 1.00 33.12 O ATOM 491 CB VAL A 29 1.862 -8.363 5.282 1.00 1.44 C ATOM 492 CG1 VAL A 29 0.848 -8.254 4.112 1.00 21.50 C ATOM 493 CG2 VAL A 29 3.288 -8.028 4.812 1.00 51.13 C ATOM 0 H VAL A 29 3.018 -8.300 7.605 1.00 40.40 H new ATOM 0 HA VAL A 29 1.390 -6.412 6.149 1.00 31.02 H new ATOM 0 HB VAL A 29 1.854 -9.397 5.628 1.00 1.44 H new ATOM 0 HG11 VAL A 29 1.167 -8.898 3.293 1.00 21.50 H new ATOM 0 HG12 VAL A 29 -0.139 -8.565 4.455 1.00 21.50 H new ATOM 0 HG13 VAL A 29 0.802 -7.222 3.765 1.00 21.50 H new ATOM 0 HG21 VAL A 29 3.556 -8.673 3.976 1.00 51.13 H new ATOM 0 HG22 VAL A 29 3.331 -6.986 4.495 1.00 51.13 H new ATOM 0 HG23 VAL A 29 3.988 -8.187 5.632 1.00 51.13 H new ATOM 503 N ARG A 30 -0.992 -7.228 6.487 1.00 64.21 N ATOM 504 CA ARG A 30 -2.399 -7.591 6.694 1.00 3.22 C ATOM 505 C ARG A 30 -3.043 -7.741 5.304 1.00 11.14 C ATOM 506 O ARG A 30 -2.956 -6.816 4.484 1.00 11.45 O ATOM 507 CB ARG A 30 -3.139 -6.488 7.507 1.00 21.03 C ATOM 508 CG ARG A 30 -2.514 -6.149 8.877 1.00 63.43 C ATOM 509 CD ARG A 30 -2.469 -7.346 9.842 1.00 22.01 C ATOM 510 NE ARG A 30 -1.835 -7.002 11.131 1.00 73.31 N ATOM 511 CZ ARG A 30 -2.482 -6.827 12.291 1.00 44.10 C ATOM 512 NH1 ARG A 30 -3.805 -6.946 12.360 1.00 73.34 N ATOM 513 NH2 ARG A 30 -1.797 -6.550 13.390 1.00 23.02 N ATOM 0 H ARG A 30 -0.878 -6.401 5.902 1.00 64.21 H new ATOM 0 HA ARG A 30 -2.469 -8.520 7.259 1.00 3.22 H new ATOM 0 HB2 ARG A 30 -3.174 -5.579 6.907 1.00 21.03 H new ATOM 0 HB3 ARG A 30 -4.170 -6.806 7.665 1.00 21.03 H new ATOM 0 HG2 ARG A 30 -1.501 -5.777 8.724 1.00 63.43 H new ATOM 0 HG3 ARG A 30 -3.083 -5.342 9.338 1.00 63.43 H new ATOM 0 HD2 ARG A 30 -3.483 -7.703 10.022 1.00 22.01 H new ATOM 0 HD3 ARG A 30 -1.920 -8.165 9.377 1.00 22.01 H new ATOM 0 HE ARG A 30 -0.821 -6.888 11.139 1.00 73.31 H new ATOM 0 HH11 ARG A 30 -4.341 -7.173 11.522 1.00 73.34 H new ATOM 0 HH12 ARG A 30 -4.284 -6.810 13.250 1.00 73.34 H new ATOM 0 HH21 ARG A 30 -0.781 -6.471 13.351 1.00 23.02 H new ATOM 0 HH22 ARG A 30 -2.286 -6.416 14.275 1.00 23.02 H new ATOM 527 N ASP A 31 -3.646 -8.909 5.035 1.00 4.23 N ATOM 528 CA ASP A 31 -4.379 -9.165 3.778 1.00 71.40 C ATOM 529 C ASP A 31 -5.824 -8.674 3.934 1.00 71.21 C ATOM 530 O ASP A 31 -6.541 -9.123 4.839 1.00 32.14 O ATOM 531 CB ASP A 31 -4.377 -10.678 3.414 1.00 1.23 C ATOM 532 CG ASP A 31 -2.974 -11.230 3.122 1.00 33.42 C ATOM 533 OD1 ASP A 31 -2.474 -11.065 1.984 1.00 24.41 O ATOM 534 OD2 ASP A 31 -2.361 -11.848 4.025 1.00 54.41 O ATOM 0 H ASP A 31 -3.642 -9.702 5.677 1.00 4.23 H new ATOM 0 HA ASP A 31 -3.880 -8.628 2.972 1.00 71.40 H new ATOM 0 HB2 ASP A 31 -4.819 -11.243 4.235 1.00 1.23 H new ATOM 0 HB3 ASP A 31 -5.011 -10.836 2.541 1.00 1.23 H new ATOM 539 N VAL A 32 -6.231 -7.735 3.073 1.00 71.24 N ATOM 540 CA VAL A 32 -7.614 -7.235 3.002 1.00 15.13 C ATOM 541 C VAL A 32 -8.123 -7.458 1.571 1.00 42.33 C ATOM 542 O VAL A 32 -7.590 -6.882 0.624 1.00 11.32 O ATOM 543 CB VAL A 32 -7.700 -5.704 3.390 1.00 44.23 C ATOM 544 CG1 VAL A 32 -9.134 -5.150 3.194 1.00 61.31 C ATOM 545 CG2 VAL A 32 -7.205 -5.474 4.844 1.00 25.34 C ATOM 0 H VAL A 32 -5.606 -7.295 2.398 1.00 71.24 H new ATOM 0 HA VAL A 32 -8.234 -7.776 3.717 1.00 15.13 H new ATOM 0 HB VAL A 32 -7.042 -5.153 2.718 1.00 44.23 H new ATOM 0 HG11 VAL A 32 -9.158 -4.096 3.470 1.00 61.31 H new ATOM 0 HG12 VAL A 32 -9.426 -5.259 2.150 1.00 61.31 H new ATOM 0 HG13 VAL A 32 -9.828 -5.706 3.825 1.00 61.31 H new ATOM 0 HG21 VAL A 32 -7.273 -4.414 5.088 1.00 25.34 H new ATOM 0 HG22 VAL A 32 -7.825 -6.046 5.534 1.00 25.34 H new ATOM 0 HG23 VAL A 32 -6.169 -5.800 4.931 1.00 25.34 H new ATOM 555 N ASN A 33 -9.137 -8.329 1.422 1.00 32.55 N ATOM 556 CA ASN A 33 -9.777 -8.631 0.120 1.00 53.23 C ATOM 557 C ASN A 33 -11.302 -8.742 0.289 1.00 14.53 C ATOM 558 O ASN A 33 -11.998 -9.249 -0.597 1.00 24.11 O ATOM 559 CB ASN A 33 -9.186 -9.938 -0.496 1.00 5.52 C ATOM 560 CG ASN A 33 -7.752 -9.768 -1.014 1.00 64.33 C ATOM 561 OD1 ASN A 33 -7.535 -9.406 -2.174 1.00 35.11 O ATOM 562 ND2 ASN A 33 -6.764 -10.017 -0.162 1.00 32.34 N ATOM 0 H ASN A 33 -9.540 -8.848 2.202 1.00 32.55 H new ATOM 0 HA ASN A 33 -9.567 -7.813 -0.569 1.00 53.23 H new ATOM 0 HB2 ASN A 33 -9.202 -10.726 0.257 1.00 5.52 H new ATOM 0 HB3 ASN A 33 -9.825 -10.267 -1.316 1.00 5.52 H new ATOM 0 HD21 ASN A 33 -5.794 -9.910 -0.460 1.00 32.34 H new ATOM 0 HD22 ASN A 33 -6.975 -10.315 0.791 1.00 32.34 H new ATOM 569 N ASP A 34 -11.817 -8.244 1.429 1.00 41.23 N ATOM 570 CA ASP A 34 -13.265 -8.157 1.684 1.00 61.04 C ATOM 571 C ASP A 34 -13.559 -6.885 2.503 1.00 14.13 C ATOM 572 O ASP A 34 -12.699 -6.408 3.260 1.00 21.02 O ATOM 573 CB ASP A 34 -13.783 -9.436 2.405 1.00 10.44 C ATOM 574 CG ASP A 34 -15.316 -9.477 2.518 1.00 53.35 C ATOM 575 OD1 ASP A 34 -15.986 -9.906 1.551 1.00 41.01 O ATOM 576 OD2 ASP A 34 -15.863 -9.046 3.550 1.00 35.03 O ATOM 0 H ASP A 34 -11.243 -7.892 2.195 1.00 41.23 H new ATOM 0 HA ASP A 34 -13.796 -8.093 0.734 1.00 61.04 H new ATOM 0 HB2 ASP A 34 -13.440 -10.317 1.863 1.00 10.44 H new ATOM 0 HB3 ASP A 34 -13.348 -9.486 3.403 1.00 10.44 H new ATOM 581 N SER A 35 -14.767 -6.329 2.309 1.00 54.01 N ATOM 582 CA SER A 35 -15.251 -5.125 3.002 1.00 30.50 C ATOM 583 C SER A 35 -15.195 -5.251 4.537 1.00 51.54 C ATOM 584 O SER A 35 -14.833 -4.291 5.228 1.00 52.34 O ATOM 585 CB SER A 35 -16.686 -4.843 2.524 1.00 71.15 C ATOM 586 OG SER A 35 -17.534 -5.970 2.734 1.00 10.01 O ATOM 0 H SER A 35 -15.447 -6.712 1.653 1.00 54.01 H new ATOM 0 HA SER A 35 -14.592 -4.293 2.753 1.00 30.50 H new ATOM 0 HB2 SER A 35 -17.086 -3.980 3.057 1.00 71.15 H new ATOM 0 HB3 SER A 35 -16.675 -4.586 1.465 1.00 71.15 H new ATOM 0 HG SER A 35 -18.439 -5.761 2.422 1.00 10.01 H new ATOM 592 N ASP A 36 -15.545 -6.445 5.052 1.00 74.24 N ATOM 593 CA ASP A 36 -15.499 -6.744 6.493 1.00 20.31 C ATOM 594 C ASP A 36 -14.062 -6.719 7.021 1.00 4.43 C ATOM 595 O ASP A 36 -13.818 -6.191 8.109 1.00 41.51 O ATOM 596 CB ASP A 36 -16.182 -8.100 6.806 1.00 2.43 C ATOM 597 CG ASP A 36 -17.702 -8.062 6.563 1.00 75.43 C ATOM 598 OD1 ASP A 36 -18.424 -7.433 7.366 1.00 12.31 O ATOM 599 OD2 ASP A 36 -18.185 -8.638 5.565 1.00 42.00 O ATOM 0 H ASP A 36 -15.867 -7.227 4.481 1.00 74.24 H new ATOM 0 HA ASP A 36 -16.056 -5.962 7.009 1.00 20.31 H new ATOM 0 HB2 ASP A 36 -15.737 -8.879 6.187 1.00 2.43 H new ATOM 0 HB3 ASP A 36 -15.990 -8.369 7.844 1.00 2.43 H new ATOM 604 N GLU A 37 -13.119 -7.246 6.218 1.00 73.14 N ATOM 605 CA GLU A 37 -11.678 -7.257 6.554 1.00 34.43 C ATOM 606 C GLU A 37 -11.164 -5.816 6.729 1.00 4.33 C ATOM 607 O GLU A 37 -10.422 -5.528 7.663 1.00 63.34 O ATOM 608 CB GLU A 37 -10.870 -7.982 5.445 1.00 63.41 C ATOM 609 CG GLU A 37 -11.338 -9.422 5.149 1.00 4.32 C ATOM 610 CD GLU A 37 -11.051 -10.429 6.280 1.00 41.31 C ATOM 611 OE1 GLU A 37 -11.891 -10.594 7.184 1.00 62.52 O ATOM 612 OE2 GLU A 37 -9.976 -11.066 6.257 1.00 33.34 O ATOM 0 H GLU A 37 -13.332 -7.676 5.318 1.00 73.14 H new ATOM 0 HA GLU A 37 -11.543 -7.796 7.492 1.00 34.43 H new ATOM 0 HB2 GLU A 37 -10.932 -7.398 4.527 1.00 63.41 H new ATOM 0 HB3 GLU A 37 -9.820 -8.008 5.736 1.00 63.41 H new ATOM 0 HG2 GLU A 37 -12.410 -9.410 4.953 1.00 4.32 H new ATOM 0 HG3 GLU A 37 -10.851 -9.769 4.238 1.00 4.32 H new ATOM 619 N LEU A 38 -11.616 -4.915 5.831 1.00 32.43 N ATOM 620 CA LEU A 38 -11.312 -3.470 5.913 1.00 53.44 C ATOM 621 C LEU A 38 -11.851 -2.867 7.230 1.00 72.13 C ATOM 622 O LEU A 38 -11.098 -2.241 7.982 1.00 25.43 O ATOM 623 CB LEU A 38 -11.896 -2.734 4.670 1.00 0.23 C ATOM 624 CG LEU A 38 -11.822 -1.148 4.669 1.00 4.31 C ATOM 625 CD1 LEU A 38 -11.455 -0.599 3.282 1.00 53.13 C ATOM 626 CD2 LEU A 38 -13.149 -0.497 5.151 1.00 4.42 C ATOM 0 H LEU A 38 -12.199 -5.167 5.033 1.00 32.43 H new ATOM 0 HA LEU A 38 -10.230 -3.337 5.914 1.00 53.44 H new ATOM 0 HB2 LEU A 38 -11.374 -3.098 3.785 1.00 0.23 H new ATOM 0 HB3 LEU A 38 -12.941 -3.024 4.565 1.00 0.23 H new ATOM 0 HG LEU A 38 -11.034 -0.883 5.374 1.00 4.31 H new ATOM 0 HD11 LEU A 38 -11.414 0.490 3.321 1.00 53.13 H new ATOM 0 HD12 LEU A 38 -10.482 -0.988 2.982 1.00 53.13 H new ATOM 0 HD13 LEU A 38 -12.208 -0.908 2.557 1.00 53.13 H new ATOM 0 HD21 LEU A 38 -13.049 0.588 5.133 1.00 4.42 H new ATOM 0 HD22 LEU A 38 -13.963 -0.798 4.491 1.00 4.42 H new ATOM 0 HD23 LEU A 38 -13.367 -0.824 6.168 1.00 4.42 H new ATOM 638 N LYS A 39 -13.148 -3.113 7.511 1.00 12.44 N ATOM 639 CA LYS A 39 -13.854 -2.546 8.682 1.00 53.25 C ATOM 640 C LYS A 39 -13.264 -3.050 10.016 1.00 62.00 C ATOM 641 O LYS A 39 -13.406 -2.388 11.043 1.00 11.45 O ATOM 642 CB LYS A 39 -15.371 -2.870 8.607 1.00 14.25 C ATOM 643 CG LYS A 39 -16.120 -2.198 7.429 1.00 35.51 C ATOM 644 CD LYS A 39 -17.622 -2.588 7.370 1.00 24.55 C ATOM 645 CE LYS A 39 -17.835 -4.103 7.207 1.00 22.32 C ATOM 646 NZ LYS A 39 -19.267 -4.473 7.052 1.00 45.42 N ATOM 0 H LYS A 39 -13.737 -3.711 6.932 1.00 12.44 H new ATOM 0 HA LYS A 39 -13.716 -1.465 8.653 1.00 53.25 H new ATOM 0 HB2 LYS A 39 -15.494 -3.950 8.529 1.00 14.25 H new ATOM 0 HB3 LYS A 39 -15.841 -2.562 9.541 1.00 14.25 H new ATOM 0 HG2 LYS A 39 -16.034 -1.115 7.520 1.00 35.51 H new ATOM 0 HG3 LYS A 39 -15.639 -2.478 6.492 1.00 35.51 H new ATOM 0 HD2 LYS A 39 -18.117 -2.251 8.281 1.00 24.55 H new ATOM 0 HD3 LYS A 39 -18.096 -2.067 6.538 1.00 24.55 H new ATOM 0 HE2 LYS A 39 -17.279 -4.451 6.337 1.00 22.32 H new ATOM 0 HE3 LYS A 39 -17.424 -4.618 8.075 1.00 22.32 H new ATOM 0 HZ1 LYS A 39 -19.368 -5.506 7.116 1.00 45.42 H new ATOM 0 HZ2 LYS A 39 -19.825 -4.023 7.805 1.00 45.42 H new ATOM 0 HZ3 LYS A 39 -19.611 -4.149 6.126 1.00 45.42 H new ATOM 660 N LYS A 40 -12.618 -4.230 9.985 1.00 42.21 N ATOM 661 CA LYS A 40 -11.945 -4.811 11.158 1.00 32.44 C ATOM 662 C LYS A 40 -10.563 -4.166 11.369 1.00 21.24 C ATOM 663 O LYS A 40 -10.303 -3.586 12.430 1.00 12.31 O ATOM 664 CB LYS A 40 -11.818 -6.361 11.013 1.00 21.14 C ATOM 665 CG LYS A 40 -13.162 -7.127 11.009 1.00 34.02 C ATOM 666 CD LYS A 40 -14.017 -6.920 12.280 1.00 63.21 C ATOM 667 CE LYS A 40 -13.397 -7.536 13.543 1.00 52.30 C ATOM 668 NZ LYS A 40 -14.185 -7.179 14.754 1.00 64.32 N ATOM 0 H LYS A 40 -12.549 -4.806 9.146 1.00 42.21 H new ATOM 0 HA LYS A 40 -12.554 -4.602 12.037 1.00 32.44 H new ATOM 0 HB2 LYS A 40 -11.288 -6.582 10.087 1.00 21.14 H new ATOM 0 HB3 LYS A 40 -11.204 -6.739 11.830 1.00 21.14 H new ATOM 0 HG2 LYS A 40 -13.742 -6.815 10.141 1.00 34.02 H new ATOM 0 HG3 LYS A 40 -12.960 -8.192 10.891 1.00 34.02 H new ATOM 0 HD2 LYS A 40 -14.162 -5.852 12.440 1.00 63.21 H new ATOM 0 HD3 LYS A 40 -15.003 -7.355 12.120 1.00 63.21 H new ATOM 0 HE2 LYS A 40 -13.354 -8.620 13.439 1.00 52.30 H new ATOM 0 HE3 LYS A 40 -12.371 -7.186 13.656 1.00 52.30 H new ATOM 0 HZ1 LYS A 40 -13.745 -7.608 15.593 1.00 64.32 H new ATOM 0 HZ2 LYS A 40 -14.204 -6.145 14.863 1.00 64.32 H new ATOM 0 HZ3 LYS A 40 -15.157 -7.535 14.653 1.00 64.32 H new ATOM 682 N GLU A 41 -9.712 -4.221 10.325 1.00 74.25 N ATOM 683 CA GLU A 41 -8.280 -3.863 10.428 1.00 15.13 C ATOM 684 C GLU A 41 -8.066 -2.361 10.646 1.00 2.23 C ATOM 685 O GLU A 41 -7.163 -1.965 11.393 1.00 2.11 O ATOM 686 CB GLU A 41 -7.499 -4.364 9.182 1.00 51.51 C ATOM 687 CG GLU A 41 -7.542 -5.897 8.993 1.00 12.24 C ATOM 688 CD GLU A 41 -7.027 -6.688 10.215 1.00 73.32 C ATOM 689 OE1 GLU A 41 -7.829 -7.010 11.125 1.00 14.32 O ATOM 690 OE2 GLU A 41 -5.820 -6.995 10.273 1.00 42.40 O ATOM 0 H GLU A 41 -9.995 -4.513 9.390 1.00 74.25 H new ATOM 0 HA GLU A 41 -7.886 -4.366 11.311 1.00 15.13 H new ATOM 0 HB2 GLU A 41 -7.908 -3.886 8.292 1.00 51.51 H new ATOM 0 HB3 GLU A 41 -6.460 -4.047 9.265 1.00 51.51 H new ATOM 0 HG2 GLU A 41 -8.568 -6.199 8.782 1.00 12.24 H new ATOM 0 HG3 GLU A 41 -6.945 -6.164 8.121 1.00 12.24 H new ATOM 697 N MET A 42 -8.911 -1.536 10.014 1.00 32.24 N ATOM 698 CA MET A 42 -8.840 -0.071 10.158 1.00 14.31 C ATOM 699 C MET A 42 -9.242 0.376 11.570 1.00 54.13 C ATOM 700 O MET A 42 -8.769 1.412 12.056 1.00 71.44 O ATOM 701 CB MET A 42 -9.705 0.620 9.086 1.00 4.04 C ATOM 702 CG MET A 42 -9.189 0.391 7.655 1.00 21.30 C ATOM 703 SD MET A 42 -7.441 0.808 7.464 1.00 24.31 S ATOM 704 CE MET A 42 -7.423 2.535 7.927 1.00 73.23 C ATOM 0 H MET A 42 -9.655 -1.857 9.395 1.00 32.24 H new ATOM 0 HA MET A 42 -7.804 0.232 10.007 1.00 14.31 H new ATOM 0 HB2 MET A 42 -10.728 0.252 9.160 1.00 4.04 H new ATOM 0 HB3 MET A 42 -9.736 1.691 9.288 1.00 4.04 H new ATOM 0 HG2 MET A 42 -9.340 -0.653 7.382 1.00 21.30 H new ATOM 0 HG3 MET A 42 -9.778 0.990 6.961 1.00 21.30 H new ATOM 0 HE1 MET A 42 -6.420 2.815 8.250 1.00 73.23 H new ATOM 0 HE2 MET A 42 -7.712 3.144 7.071 1.00 73.23 H new ATOM 0 HE3 MET A 42 -8.126 2.700 8.743 1.00 73.23 H new ATOM 714 N LYS A 43 -10.111 -0.422 12.224 1.00 14.01 N ATOM 715 CA LYS A 43 -10.475 -0.211 13.633 1.00 62.11 C ATOM 716 C LYS A 43 -9.337 -0.649 14.563 1.00 52.13 C ATOM 717 O LYS A 43 -9.174 -0.056 15.621 1.00 52.20 O ATOM 718 CB LYS A 43 -11.800 -0.931 14.006 1.00 3.54 C ATOM 719 CG LYS A 43 -13.060 -0.308 13.360 1.00 60.34 C ATOM 720 CD LYS A 43 -13.258 1.181 13.744 1.00 63.33 C ATOM 721 CE LYS A 43 -14.457 1.831 13.033 1.00 60.01 C ATOM 722 NZ LYS A 43 -15.743 1.179 13.375 1.00 44.14 N ATOM 0 H LYS A 43 -10.574 -1.222 11.792 1.00 14.01 H new ATOM 0 HA LYS A 43 -10.639 0.858 13.767 1.00 62.11 H new ATOM 0 HB2 LYS A 43 -11.730 -1.977 13.706 1.00 3.54 H new ATOM 0 HB3 LYS A 43 -11.916 -0.918 15.090 1.00 3.54 H new ATOM 0 HG2 LYS A 43 -12.986 -0.392 12.276 1.00 60.34 H new ATOM 0 HG3 LYS A 43 -13.938 -0.877 13.665 1.00 60.34 H new ATOM 0 HD2 LYS A 43 -13.397 1.257 14.822 1.00 63.33 H new ATOM 0 HD3 LYS A 43 -12.353 1.737 13.500 1.00 63.33 H new ATOM 0 HE2 LYS A 43 -14.506 2.886 13.302 1.00 60.01 H new ATOM 0 HE3 LYS A 43 -14.305 1.783 11.955 1.00 60.01 H new ATOM 0 HZ1 LYS A 43 -16.523 1.686 12.911 1.00 44.14 H new ATOM 0 HZ2 LYS A 43 -15.729 0.191 13.049 1.00 44.14 H new ATOM 0 HZ3 LYS A 43 -15.880 1.202 14.406 1.00 44.14 H new ATOM 736 N LYS A 44 -8.542 -1.674 14.163 1.00 54.41 N ATOM 737 CA LYS A 44 -7.375 -2.128 14.967 1.00 51.33 C ATOM 738 C LYS A 44 -6.317 -1.013 15.045 1.00 65.30 C ATOM 739 O LYS A 44 -5.722 -0.765 16.102 1.00 51.11 O ATOM 740 CB LYS A 44 -6.729 -3.429 14.399 1.00 31.55 C ATOM 741 CG LYS A 44 -7.716 -4.571 14.071 1.00 13.41 C ATOM 742 CD LYS A 44 -8.689 -4.970 15.219 1.00 34.22 C ATOM 743 CE LYS A 44 -8.004 -5.608 16.442 1.00 73.40 C ATOM 744 NZ LYS A 44 -7.364 -4.601 17.328 1.00 42.34 N ATOM 0 H LYS A 44 -8.684 -2.197 13.299 1.00 54.41 H new ATOM 0 HA LYS A 44 -7.746 -2.357 15.966 1.00 51.33 H new ATOM 0 HB2 LYS A 44 -6.179 -3.175 13.493 1.00 31.55 H new ATOM 0 HB3 LYS A 44 -6.000 -3.798 15.121 1.00 31.55 H new ATOM 0 HG2 LYS A 44 -8.307 -4.278 13.203 1.00 13.41 H new ATOM 0 HG3 LYS A 44 -7.142 -5.452 13.783 1.00 13.41 H new ATOM 0 HD2 LYS A 44 -9.231 -4.082 15.544 1.00 34.22 H new ATOM 0 HD3 LYS A 44 -9.428 -5.669 14.826 1.00 34.22 H new ATOM 0 HE2 LYS A 44 -8.741 -6.173 17.013 1.00 73.40 H new ATOM 0 HE3 LYS A 44 -7.251 -6.319 16.102 1.00 73.40 H new ATOM 0 HZ1 LYS A 44 -7.190 -5.022 18.263 1.00 42.34 H new ATOM 0 HZ2 LYS A 44 -6.461 -4.297 16.912 1.00 42.34 H new ATOM 0 HZ3 LYS A 44 -7.993 -3.779 17.430 1.00 42.34 H new ATOM 758 N LEU A 45 -6.135 -0.335 13.895 1.00 43.44 N ATOM 759 CA LEU A 45 -5.239 0.823 13.751 1.00 50.05 C ATOM 760 C LEU A 45 -5.768 2.000 14.592 1.00 31.32 C ATOM 761 O LEU A 45 -5.010 2.619 15.344 1.00 42.23 O ATOM 762 CB LEU A 45 -5.134 1.209 12.245 1.00 73.43 C ATOM 763 CG LEU A 45 -4.573 0.086 11.307 1.00 64.04 C ATOM 764 CD1 LEU A 45 -4.747 0.448 9.817 1.00 4.31 C ATOM 765 CD2 LEU A 45 -3.100 -0.235 11.642 1.00 22.34 C ATOM 0 H LEU A 45 -6.614 -0.582 13.029 1.00 43.44 H new ATOM 0 HA LEU A 45 -4.243 0.570 14.114 1.00 50.05 H new ATOM 0 HB2 LEU A 45 -6.124 1.496 11.890 1.00 73.43 H new ATOM 0 HB3 LEU A 45 -4.496 2.088 12.155 1.00 73.43 H new ATOM 0 HG LEU A 45 -5.159 -0.815 11.489 1.00 64.04 H new ATOM 0 HD11 LEU A 45 -4.346 -0.355 9.198 1.00 4.31 H new ATOM 0 HD12 LEU A 45 -5.806 0.582 9.596 1.00 4.31 H new ATOM 0 HD13 LEU A 45 -4.212 1.373 9.602 1.00 4.31 H new ATOM 0 HD21 LEU A 45 -2.737 -1.018 10.975 1.00 22.34 H new ATOM 0 HD22 LEU A 45 -2.494 0.662 11.513 1.00 22.34 H new ATOM 0 HD23 LEU A 45 -3.028 -0.576 12.675 1.00 22.34 H new ATOM 777 N ALA A 46 -7.093 2.238 14.490 1.00 61.21 N ATOM 778 CA ALA A 46 -7.800 3.311 15.227 1.00 34.40 C ATOM 779 C ALA A 46 -7.749 3.116 16.761 1.00 41.42 C ATOM 780 O ALA A 46 -7.723 4.095 17.516 1.00 3.54 O ATOM 781 CB ALA A 46 -9.256 3.399 14.740 1.00 1.41 C ATOM 0 H ALA A 46 -7.708 1.688 13.890 1.00 61.21 H new ATOM 0 HA ALA A 46 -7.284 4.248 15.018 1.00 34.40 H new ATOM 0 HB1 ALA A 46 -9.774 4.189 15.283 1.00 1.41 H new ATOM 0 HB2 ALA A 46 -9.270 3.623 13.673 1.00 1.41 H new ATOM 0 HB3 ALA A 46 -9.757 2.447 14.918 1.00 1.41 H new ATOM 787 N GLU A 47 -7.711 1.843 17.196 1.00 24.42 N ATOM 788 CA GLU A 47 -7.629 1.456 18.624 1.00 21.52 C ATOM 789 C GLU A 47 -6.246 1.765 19.234 1.00 75.01 C ATOM 790 O GLU A 47 -6.081 1.640 20.453 1.00 1.24 O ATOM 791 CB GLU A 47 -7.948 -0.062 18.786 1.00 75.13 C ATOM 792 CG GLU A 47 -9.445 -0.429 18.683 1.00 34.02 C ATOM 793 CD GLU A 47 -9.682 -1.947 18.711 1.00 30.32 C ATOM 794 OE1 GLU A 47 -9.518 -2.599 17.658 1.00 15.13 O ATOM 795 OE2 GLU A 47 -10.010 -2.499 19.783 1.00 13.41 O ATOM 0 H GLU A 47 -7.736 1.044 16.563 1.00 24.42 H new ATOM 0 HA GLU A 47 -8.367 2.050 19.163 1.00 21.52 H new ATOM 0 HB2 GLU A 47 -7.400 -0.616 18.024 1.00 75.13 H new ATOM 0 HB3 GLU A 47 -7.573 -0.395 19.754 1.00 75.13 H new ATOM 0 HG2 GLU A 47 -9.987 0.035 19.507 1.00 34.02 H new ATOM 0 HG3 GLU A 47 -9.854 -0.018 17.760 1.00 34.02 H new ATOM 802 N GLU A 48 -5.262 2.126 18.372 1.00 62.53 N ATOM 803 CA GLU A 48 -3.864 2.457 18.754 1.00 13.21 C ATOM 804 C GLU A 48 -3.030 1.195 19.033 1.00 73.22 C ATOM 805 O GLU A 48 -1.882 1.126 18.593 1.00 22.41 O ATOM 806 CB GLU A 48 -3.767 3.444 19.968 1.00 65.44 C ATOM 807 CG GLU A 48 -2.334 3.970 20.267 1.00 50.02 C ATOM 808 CD GLU A 48 -2.183 4.623 21.656 1.00 50.30 C ATOM 809 OE1 GLU A 48 -3.075 5.405 22.060 1.00 30.44 O ATOM 810 OE2 GLU A 48 -1.167 4.358 22.352 1.00 4.13 O ATOM 0 H GLU A 48 -5.422 2.197 17.367 1.00 62.53 H new ATOM 0 HA GLU A 48 -3.447 2.970 17.887 1.00 13.21 H new ATOM 0 HB2 GLU A 48 -4.420 4.296 19.779 1.00 65.44 H new ATOM 0 HB3 GLU A 48 -4.148 2.942 20.858 1.00 65.44 H new ATOM 0 HG2 GLU A 48 -1.630 3.142 20.188 1.00 50.02 H new ATOM 0 HG3 GLU A 48 -2.058 4.697 19.503 1.00 50.02 H new ATOM 817 N LYS A 49 -3.631 0.206 19.733 1.00 1.03 N ATOM 818 CA LYS A 49 -2.933 -0.965 20.311 1.00 5.05 C ATOM 819 C LYS A 49 -2.343 -1.938 19.237 1.00 71.01 C ATOM 820 O LYS A 49 -2.825 -3.058 19.046 1.00 72.42 O ATOM 821 CB LYS A 49 -3.892 -1.705 21.295 1.00 41.42 C ATOM 822 CG LYS A 49 -5.261 -2.102 20.684 1.00 24.51 C ATOM 823 CD LYS A 49 -6.107 -3.010 21.606 1.00 1.13 C ATOM 824 CE LYS A 49 -5.443 -4.373 21.888 1.00 21.21 C ATOM 825 NZ LYS A 49 -6.275 -5.231 22.782 1.00 3.21 N ATOM 0 H LYS A 49 -4.635 0.200 19.915 1.00 1.03 H new ATOM 0 HA LYS A 49 -2.066 -0.592 20.857 1.00 5.05 H new ATOM 0 HB2 LYS A 49 -3.396 -2.605 21.658 1.00 41.42 H new ATOM 0 HB3 LYS A 49 -4.067 -1.066 22.161 1.00 41.42 H new ATOM 0 HG2 LYS A 49 -5.826 -1.197 20.460 1.00 24.51 H new ATOM 0 HG3 LYS A 49 -5.092 -2.615 19.737 1.00 24.51 H new ATOM 0 HD2 LYS A 49 -6.282 -2.496 22.551 1.00 1.13 H new ATOM 0 HD3 LYS A 49 -7.082 -3.176 21.148 1.00 1.13 H new ATOM 0 HE2 LYS A 49 -5.270 -4.893 20.946 1.00 21.21 H new ATOM 0 HE3 LYS A 49 -4.467 -4.212 22.347 1.00 21.21 H new ATOM 0 HZ1 LYS A 49 -5.790 -6.136 22.944 1.00 3.21 H new ATOM 0 HZ2 LYS A 49 -6.419 -4.748 23.692 1.00 3.21 H new ATOM 0 HZ3 LYS A 49 -7.197 -5.408 22.334 1.00 3.21 H new ATOM 839 N ASN A 50 -1.275 -1.467 18.576 1.00 61.23 N ATOM 840 CA ASN A 50 -0.488 -2.172 17.545 1.00 24.24 C ATOM 841 C ASN A 50 0.479 -1.141 16.945 1.00 4.21 C ATOM 842 O ASN A 50 0.274 -0.638 15.836 1.00 20.42 O ATOM 843 CB ASN A 50 -1.329 -2.915 16.431 1.00 3.42 C ATOM 844 CG ASN A 50 -2.347 -2.050 15.658 1.00 3.34 C ATOM 845 OD1 ASN A 50 -2.905 -1.091 16.181 1.00 25.35 O ATOM 846 ND2 ASN A 50 -2.594 -2.386 14.401 1.00 54.41 N ATOM 0 H ASN A 50 -0.914 -0.530 18.755 1.00 61.23 H new ATOM 0 HA ASN A 50 0.040 -2.995 18.026 1.00 24.24 H new ATOM 0 HB2 ASN A 50 -0.636 -3.353 15.713 1.00 3.42 H new ATOM 0 HB3 ASN A 50 -1.866 -3.740 16.900 1.00 3.42 H new ATOM 0 HD21 ASN A 50 -3.259 -1.844 13.849 1.00 54.41 H new ATOM 0 HD22 ASN A 50 -2.119 -3.187 13.985 1.00 54.41 H new ATOM 853 N PHE A 51 1.508 -0.779 17.745 1.00 23.40 N ATOM 854 CA PHE A 51 2.537 0.231 17.381 1.00 35.51 C ATOM 855 C PHE A 51 3.276 -0.156 16.091 1.00 31.24 C ATOM 856 O PHE A 51 3.754 0.725 15.362 1.00 32.22 O ATOM 857 CB PHE A 51 3.554 0.391 18.547 1.00 74.11 C ATOM 858 CG PHE A 51 4.728 1.337 18.252 1.00 41.21 C ATOM 859 CD1 PHE A 51 4.560 2.723 18.296 1.00 41.51 C ATOM 860 CD2 PHE A 51 5.995 0.841 17.906 1.00 3.43 C ATOM 861 CE1 PHE A 51 5.612 3.576 18.006 1.00 41.34 C ATOM 862 CE2 PHE A 51 7.043 1.699 17.615 1.00 1.22 C ATOM 863 CZ PHE A 51 6.851 3.065 17.669 1.00 61.45 C ATOM 0 H PHE A 51 1.652 -1.182 18.671 1.00 23.40 H new ATOM 0 HA PHE A 51 2.030 1.179 17.204 1.00 35.51 H new ATOM 0 HB2 PHE A 51 3.023 0.757 19.426 1.00 74.11 H new ATOM 0 HB3 PHE A 51 3.952 -0.591 18.801 1.00 74.11 H new ATOM 0 HD1 PHE A 51 3.597 3.135 18.560 1.00 41.51 H new ATOM 0 HD2 PHE A 51 6.155 -0.226 17.866 1.00 3.43 H new ATOM 0 HE1 PHE A 51 5.463 4.645 18.043 1.00 41.34 H new ATOM 0 HE2 PHE A 51 8.010 1.299 17.346 1.00 1.22 H new ATOM 0 HZ PHE A 51 7.669 3.734 17.448 1.00 61.45 H new ATOM 873 N GLU A 52 3.358 -1.481 15.860 1.00 15.34 N ATOM 874 CA GLU A 52 4.020 -2.119 14.701 1.00 35.41 C ATOM 875 C GLU A 52 3.714 -1.396 13.375 1.00 41.35 C ATOM 876 O GLU A 52 2.590 -0.925 13.159 1.00 1.52 O ATOM 877 CB GLU A 52 3.565 -3.600 14.602 1.00 14.14 C ATOM 878 CG GLU A 52 3.803 -4.418 15.887 1.00 63.10 C ATOM 879 CD GLU A 52 3.188 -5.821 15.831 1.00 22.20 C ATOM 880 OE1 GLU A 52 1.951 -5.934 15.980 1.00 62.23 O ATOM 881 OE2 GLU A 52 3.930 -6.814 15.645 1.00 34.21 O ATOM 0 H GLU A 52 2.950 -2.164 16.499 1.00 15.34 H new ATOM 0 HA GLU A 52 5.096 -2.058 14.862 1.00 35.41 H new ATOM 0 HB2 GLU A 52 2.503 -3.627 14.358 1.00 14.14 H new ATOM 0 HB3 GLU A 52 4.094 -4.077 13.777 1.00 14.14 H new ATOM 0 HG2 GLU A 52 4.875 -4.505 16.061 1.00 63.10 H new ATOM 0 HG3 GLU A 52 3.385 -3.878 16.737 1.00 63.10 H new ATOM 888 N LYS A 53 4.743 -1.287 12.520 1.00 11.00 N ATOM 889 CA LYS A 53 4.633 -0.655 11.195 1.00 61.11 C ATOM 890 C LYS A 53 3.822 -1.594 10.286 1.00 31.14 C ATOM 891 O LYS A 53 4.305 -2.673 9.917 1.00 62.23 O ATOM 892 CB LYS A 53 6.053 -0.377 10.603 1.00 63.43 C ATOM 893 CG LYS A 53 7.095 0.293 11.552 1.00 42.11 C ATOM 894 CD LYS A 53 6.727 1.728 12.069 1.00 14.22 C ATOM 895 CE LYS A 53 5.927 1.738 13.389 1.00 24.32 C ATOM 896 NZ LYS A 53 5.769 3.109 13.961 1.00 40.02 N ATOM 0 H LYS A 53 5.678 -1.636 12.729 1.00 11.00 H new ATOM 0 HA LYS A 53 4.125 0.306 11.273 1.00 61.11 H new ATOM 0 HB2 LYS A 53 6.468 -1.324 10.258 1.00 63.43 H new ATOM 0 HB3 LYS A 53 5.936 0.258 9.725 1.00 63.43 H new ATOM 0 HG2 LYS A 53 7.242 -0.356 12.415 1.00 42.11 H new ATOM 0 HG3 LYS A 53 8.050 0.350 11.029 1.00 42.11 H new ATOM 0 HD2 LYS A 53 7.645 2.298 12.209 1.00 14.22 H new ATOM 0 HD3 LYS A 53 6.147 2.241 11.302 1.00 14.22 H new ATOM 0 HE2 LYS A 53 4.941 1.307 13.214 1.00 24.32 H new ATOM 0 HE3 LYS A 53 6.429 1.101 14.117 1.00 24.32 H new ATOM 0 HZ1 LYS A 53 4.893 3.153 14.520 1.00 40.02 H new ATOM 0 HZ2 LYS A 53 6.582 3.326 14.573 1.00 40.02 H new ATOM 0 HZ3 LYS A 53 5.722 3.804 13.189 1.00 40.02 H new ATOM 910 N ILE A 54 2.583 -1.194 9.948 1.00 15.23 N ATOM 911 CA ILE A 54 1.602 -2.092 9.316 1.00 34.42 C ATOM 912 C ILE A 54 1.566 -1.839 7.800 1.00 4.11 C ATOM 913 O ILE A 54 1.489 -0.695 7.345 1.00 64.12 O ATOM 914 CB ILE A 54 0.161 -1.911 9.943 1.00 62.55 C ATOM 915 CG1 ILE A 54 0.154 -2.240 11.477 1.00 30.01 C ATOM 916 CG2 ILE A 54 -0.904 -2.763 9.199 1.00 62.22 C ATOM 917 CD1 ILE A 54 0.498 -3.683 11.844 1.00 65.15 C ATOM 0 H ILE A 54 2.236 -0.247 10.104 1.00 15.23 H new ATOM 0 HA ILE A 54 1.912 -3.120 9.502 1.00 34.42 H new ATOM 0 HB ILE A 54 -0.105 -0.861 9.820 1.00 62.55 H new ATOM 0 HG12 ILE A 54 0.862 -1.578 11.976 1.00 30.01 H new ATOM 0 HG13 ILE A 54 -0.834 -2.008 11.876 1.00 30.01 H new ATOM 0 HG21 ILE A 54 -1.880 -2.610 9.661 1.00 62.22 H new ATOM 0 HG22 ILE A 54 -0.946 -2.460 8.153 1.00 62.22 H new ATOM 0 HG23 ILE A 54 -0.635 -3.817 9.261 1.00 62.22 H new ATOM 0 HD11 ILE A 54 0.464 -3.801 12.927 1.00 65.15 H new ATOM 0 HD12 ILE A 54 -0.223 -4.358 11.383 1.00 65.15 H new ATOM 0 HD13 ILE A 54 1.499 -3.921 11.484 1.00 65.15 H new ATOM 929 N LEU A 55 1.639 -2.925 7.040 1.00 40.55 N ATOM 930 CA LEU A 55 1.528 -2.920 5.581 1.00 74.22 C ATOM 931 C LEU A 55 0.193 -3.581 5.225 1.00 61.10 C ATOM 932 O LEU A 55 -0.107 -4.652 5.735 1.00 64.14 O ATOM 933 CB LEU A 55 2.756 -3.677 4.989 1.00 2.32 C ATOM 934 CG LEU A 55 2.987 -3.579 3.436 1.00 15.22 C ATOM 935 CD1 LEU A 55 4.458 -3.846 3.086 1.00 4.44 C ATOM 936 CD2 LEU A 55 2.075 -4.528 2.630 1.00 71.21 C ATOM 0 H LEU A 55 1.780 -3.858 7.428 1.00 40.55 H new ATOM 0 HA LEU A 55 1.537 -1.914 5.160 1.00 74.22 H new ATOM 0 HB2 LEU A 55 3.652 -3.306 5.487 1.00 2.32 H new ATOM 0 HB3 LEU A 55 2.659 -4.731 5.249 1.00 2.32 H new ATOM 0 HG LEU A 55 2.723 -2.560 3.152 1.00 15.22 H new ATOM 0 HD11 LEU A 55 4.594 -3.773 2.007 1.00 4.44 H new ATOM 0 HD12 LEU A 55 5.090 -3.109 3.582 1.00 4.44 H new ATOM 0 HD13 LEU A 55 4.736 -4.846 3.420 1.00 4.44 H new ATOM 0 HD21 LEU A 55 2.281 -4.414 1.566 1.00 71.21 H new ATOM 0 HD22 LEU A 55 2.267 -5.558 2.929 1.00 71.21 H new ATOM 0 HD23 LEU A 55 1.031 -4.283 2.825 1.00 71.21 H new ATOM 948 N ILE A 56 -0.624 -2.926 4.384 1.00 35.14 N ATOM 949 CA ILE A 56 -1.924 -3.471 3.946 1.00 20.11 C ATOM 950 C ILE A 56 -1.841 -3.836 2.450 1.00 33.23 C ATOM 951 O ILE A 56 -1.674 -2.950 1.608 1.00 31.12 O ATOM 952 CB ILE A 56 -3.110 -2.442 4.145 1.00 21.11 C ATOM 953 CG1 ILE A 56 -3.201 -1.892 5.613 1.00 51.21 C ATOM 954 CG2 ILE A 56 -4.458 -3.076 3.712 1.00 60.23 C ATOM 955 CD1 ILE A 56 -3.653 -2.893 6.666 1.00 32.24 C ATOM 0 H ILE A 56 -0.406 -2.011 3.990 1.00 35.14 H new ATOM 0 HA ILE A 56 -2.131 -4.348 4.559 1.00 20.11 H new ATOM 0 HB ILE A 56 -2.896 -1.586 3.505 1.00 21.11 H new ATOM 0 HG12 ILE A 56 -2.221 -1.509 5.899 1.00 51.21 H new ATOM 0 HG13 ILE A 56 -3.889 -1.047 5.623 1.00 51.21 H new ATOM 0 HG21 ILE A 56 -5.262 -2.354 3.856 1.00 60.23 H new ATOM 0 HG22 ILE A 56 -4.407 -3.357 2.660 1.00 60.23 H new ATOM 0 HG23 ILE A 56 -4.654 -3.962 4.316 1.00 60.23 H new ATOM 0 HD11 ILE A 56 -3.680 -2.408 7.642 1.00 32.24 H new ATOM 0 HD12 ILE A 56 -4.648 -3.260 6.415 1.00 32.24 H new ATOM 0 HD13 ILE A 56 -2.955 -3.729 6.696 1.00 32.24 H new ATOM 967 N ILE A 57 -1.932 -5.140 2.130 1.00 51.43 N ATOM 968 CA ILE A 57 -2.103 -5.606 0.737 1.00 53.42 C ATOM 969 C ILE A 57 -3.612 -5.733 0.446 1.00 74.23 C ATOM 970 O ILE A 57 -4.301 -6.556 1.062 1.00 61.32 O ATOM 971 CB ILE A 57 -1.359 -6.975 0.452 1.00 23.33 C ATOM 972 CG1 ILE A 57 0.186 -6.782 0.599 1.00 21.24 C ATOM 973 CG2 ILE A 57 -1.723 -7.540 -0.955 1.00 45.23 C ATOM 974 CD1 ILE A 57 1.025 -8.027 0.367 1.00 25.52 C ATOM 0 H ILE A 57 -1.890 -5.893 2.817 1.00 51.43 H new ATOM 0 HA ILE A 57 -1.647 -4.873 0.072 1.00 53.42 H new ATOM 0 HB ILE A 57 -1.692 -7.707 1.188 1.00 23.33 H new ATOM 0 HG12 ILE A 57 0.507 -6.013 -0.103 1.00 21.24 H new ATOM 0 HG13 ILE A 57 0.394 -6.406 1.601 1.00 21.24 H new ATOM 0 HG21 ILE A 57 -1.195 -8.480 -1.117 1.00 45.23 H new ATOM 0 HG22 ILE A 57 -2.798 -7.713 -1.011 1.00 45.23 H new ATOM 0 HG23 ILE A 57 -1.431 -6.823 -1.722 1.00 45.23 H new ATOM 0 HD11 ILE A 57 2.080 -7.784 0.493 1.00 25.52 H new ATOM 0 HD12 ILE A 57 0.742 -8.796 1.086 1.00 25.52 H new ATOM 0 HD13 ILE A 57 0.856 -8.396 -0.645 1.00 25.52 H new ATOM 986 N SER A 58 -4.114 -4.883 -0.464 1.00 61.21 N ATOM 987 CA SER A 58 -5.507 -4.921 -0.926 1.00 14.24 C ATOM 988 C SER A 58 -5.499 -5.002 -2.453 1.00 52.21 C ATOM 989 O SER A 58 -5.001 -4.091 -3.124 1.00 20.42 O ATOM 990 CB SER A 58 -6.287 -3.671 -0.442 1.00 35.14 C ATOM 991 OG SER A 58 -7.659 -3.731 -0.816 1.00 10.21 O ATOM 0 H SER A 58 -3.560 -4.147 -0.901 1.00 61.21 H new ATOM 0 HA SER A 58 -6.012 -5.793 -0.510 1.00 14.24 H new ATOM 0 HB2 SER A 58 -6.208 -3.590 0.642 1.00 35.14 H new ATOM 0 HB3 SER A 58 -5.834 -2.773 -0.863 1.00 35.14 H new ATOM 0 HG SER A 58 -7.795 -3.224 -1.644 1.00 10.21 H new ATOM 997 N ASN A 59 -6.046 -6.103 -2.995 1.00 43.03 N ATOM 998 CA ASN A 59 -6.127 -6.341 -4.453 1.00 33.53 C ATOM 999 C ASN A 59 -7.437 -5.772 -5.020 1.00 74.11 C ATOM 1000 O ASN A 59 -7.724 -5.916 -6.212 1.00 31.40 O ATOM 1001 CB ASN A 59 -5.994 -7.855 -4.762 1.00 52.03 C ATOM 1002 CG ASN A 59 -4.632 -8.418 -4.350 1.00 20.54 C ATOM 1003 OD1 ASN A 59 -4.444 -8.858 -3.216 1.00 75.23 O ATOM 1004 ND2 ASN A 59 -3.671 -8.405 -5.265 1.00 70.32 N ATOM 0 H ASN A 59 -6.446 -6.857 -2.437 1.00 43.03 H new ATOM 0 HA ASN A 59 -5.299 -5.824 -4.938 1.00 33.53 H new ATOM 0 HB2 ASN A 59 -6.782 -8.400 -4.241 1.00 52.03 H new ATOM 0 HB3 ASN A 59 -6.144 -8.020 -5.829 1.00 52.03 H new ATOM 0 HD21 ASN A 59 -2.745 -8.767 -5.037 1.00 70.32 H new ATOM 0 HD22 ASN A 59 -3.858 -8.034 -6.196 1.00 70.32 H new ATOM 1011 N ASP A 60 -8.235 -5.129 -4.147 1.00 25.03 N ATOM 1012 CA ASP A 60 -9.446 -4.397 -4.541 1.00 53.41 C ATOM 1013 C ASP A 60 -9.187 -2.895 -4.328 1.00 71.34 C ATOM 1014 O ASP A 60 -8.890 -2.459 -3.202 1.00 1.54 O ATOM 1015 CB ASP A 60 -10.673 -4.885 -3.723 1.00 74.03 C ATOM 1016 CG ASP A 60 -11.999 -4.255 -4.195 1.00 43.13 C ATOM 1017 OD1 ASP A 60 -12.352 -3.153 -3.730 1.00 4.13 O ATOM 1018 OD2 ASP A 60 -12.695 -4.851 -5.044 1.00 55.43 O ATOM 0 H ASP A 60 -8.054 -5.105 -3.144 1.00 25.03 H new ATOM 0 HA ASP A 60 -9.674 -4.581 -5.591 1.00 53.41 H new ATOM 0 HB2 ASP A 60 -10.745 -5.970 -3.798 1.00 74.03 H new ATOM 0 HB3 ASP A 60 -10.519 -4.648 -2.670 1.00 74.03 H new ATOM 1023 N LYS A 61 -9.290 -2.117 -5.416 1.00 23.30 N ATOM 1024 CA LYS A 61 -8.914 -0.694 -5.421 1.00 13.04 C ATOM 1025 C LYS A 61 -10.002 0.198 -4.786 1.00 34.43 C ATOM 1026 O LYS A 61 -9.694 1.304 -4.338 1.00 72.22 O ATOM 1027 CB LYS A 61 -8.560 -0.230 -6.858 1.00 42.30 C ATOM 1028 CG LYS A 61 -9.730 -0.223 -7.867 1.00 51.23 C ATOM 1029 CD LYS A 61 -9.276 0.186 -9.291 1.00 70.25 C ATOM 1030 CE LYS A 61 -8.257 -0.795 -9.904 1.00 31.12 C ATOM 1031 NZ LYS A 61 -7.755 -0.328 -11.228 1.00 72.35 N ATOM 0 H LYS A 61 -9.635 -2.454 -6.315 1.00 23.30 H new ATOM 0 HA LYS A 61 -8.025 -0.585 -4.800 1.00 13.04 H new ATOM 0 HB2 LYS A 61 -8.146 0.777 -6.803 1.00 42.30 H new ATOM 0 HB3 LYS A 61 -7.774 -0.878 -7.246 1.00 42.30 H new ATOM 0 HG2 LYS A 61 -10.182 -1.214 -7.903 1.00 51.23 H new ATOM 0 HG3 LYS A 61 -10.501 0.466 -7.522 1.00 51.23 H new ATOM 0 HD2 LYS A 61 -10.149 0.247 -9.941 1.00 70.25 H new ATOM 0 HD3 LYS A 61 -8.836 1.182 -9.254 1.00 70.25 H new ATOM 0 HE2 LYS A 61 -7.417 -0.918 -9.221 1.00 31.12 H new ATOM 0 HE3 LYS A 61 -8.721 -1.775 -10.018 1.00 31.12 H new ATOM 0 HZ1 LYS A 61 -7.073 -1.017 -11.603 1.00 72.35 H new ATOM 0 HZ2 LYS A 61 -8.553 -0.235 -11.889 1.00 72.35 H new ATOM 0 HZ3 LYS A 61 -7.289 0.595 -11.117 1.00 72.35 H new ATOM 1045 N GLN A 62 -11.260 -0.296 -4.725 1.00 11.41 N ATOM 1046 CA GLN A 62 -12.367 0.431 -4.059 1.00 20.24 C ATOM 1047 C GLN A 62 -12.120 0.457 -2.544 1.00 62.21 C ATOM 1048 O GLN A 62 -12.224 1.514 -1.917 1.00 21.21 O ATOM 1049 CB GLN A 62 -13.753 -0.206 -4.380 1.00 30.44 C ATOM 1050 CG GLN A 62 -14.980 0.439 -3.667 1.00 51.52 C ATOM 1051 CD GLN A 62 -15.326 1.877 -4.114 1.00 72.40 C ATOM 1052 OE1 GLN A 62 -14.466 2.661 -4.520 1.00 54.33 O ATOM 1053 NE2 GLN A 62 -16.599 2.243 -4.020 1.00 42.53 N ATOM 0 H GLN A 62 -11.534 -1.192 -5.127 1.00 11.41 H new ATOM 0 HA GLN A 62 -12.388 1.451 -4.442 1.00 20.24 H new ATOM 0 HB2 GLN A 62 -13.914 -0.154 -5.457 1.00 30.44 H new ATOM 0 HB3 GLN A 62 -13.716 -1.262 -4.114 1.00 30.44 H new ATOM 0 HG2 GLN A 62 -15.851 -0.195 -3.835 1.00 51.52 H new ATOM 0 HG3 GLN A 62 -14.793 0.446 -2.593 1.00 51.52 H new ATOM 0 HE21 GLN A 62 -17.297 1.580 -3.682 1.00 42.53 H new ATOM 0 HE22 GLN A 62 -16.879 3.187 -4.286 1.00 42.53 H new ATOM 1062 N LEU A 63 -11.748 -0.723 -1.987 1.00 40.41 N ATOM 1063 CA LEU A 63 -11.357 -0.873 -0.574 1.00 2.12 C ATOM 1064 C LEU A 63 -10.168 0.038 -0.255 1.00 60.14 C ATOM 1065 O LEU A 63 -10.151 0.693 0.776 1.00 23.03 O ATOM 1066 CB LEU A 63 -10.980 -2.350 -0.250 1.00 55.11 C ATOM 1067 CG LEU A 63 -12.135 -3.398 -0.315 1.00 54.13 C ATOM 1068 CD1 LEU A 63 -11.620 -4.811 0.057 1.00 21.13 C ATOM 1069 CD2 LEU A 63 -13.325 -2.976 0.575 1.00 11.43 C ATOM 0 H LEU A 63 -11.713 -1.597 -2.512 1.00 40.41 H new ATOM 0 HA LEU A 63 -12.211 -0.588 0.041 1.00 2.12 H new ATOM 0 HB2 LEU A 63 -10.198 -2.662 -0.943 1.00 55.11 H new ATOM 0 HB3 LEU A 63 -10.549 -2.380 0.751 1.00 55.11 H new ATOM 0 HG LEU A 63 -12.497 -3.437 -1.342 1.00 54.13 H new ATOM 0 HD11 LEU A 63 -12.443 -5.524 0.004 1.00 21.13 H new ATOM 0 HD12 LEU A 63 -10.837 -5.108 -0.641 1.00 21.13 H new ATOM 0 HD13 LEU A 63 -11.217 -4.796 1.070 1.00 21.13 H new ATOM 0 HD21 LEU A 63 -14.113 -3.726 0.508 1.00 11.43 H new ATOM 0 HD22 LEU A 63 -12.993 -2.890 1.610 1.00 11.43 H new ATOM 0 HD23 LEU A 63 -13.710 -2.014 0.236 1.00 11.43 H new ATOM 1081 N LEU A 64 -9.195 0.068 -1.178 1.00 11.34 N ATOM 1082 CA LEU A 64 -8.010 0.938 -1.084 1.00 50.43 C ATOM 1083 C LEU A 64 -8.426 2.414 -0.883 1.00 64.04 C ATOM 1084 O LEU A 64 -7.918 3.077 0.016 1.00 34.23 O ATOM 1085 CB LEU A 64 -7.128 0.721 -2.350 1.00 53.11 C ATOM 1086 CG LEU A 64 -5.893 1.680 -2.587 1.00 75.31 C ATOM 1087 CD1 LEU A 64 -4.798 0.975 -3.403 1.00 74.13 C ATOM 1088 CD2 LEU A 64 -6.293 2.993 -3.307 1.00 72.33 C ATOM 0 H LEU A 64 -9.207 -0.513 -2.016 1.00 11.34 H new ATOM 0 HA LEU A 64 -7.415 0.675 -0.209 1.00 50.43 H new ATOM 0 HB2 LEU A 64 -6.752 -0.302 -2.320 1.00 53.11 H new ATOM 0 HB3 LEU A 64 -7.777 0.796 -3.222 1.00 53.11 H new ATOM 0 HG LEU A 64 -5.511 1.935 -1.598 1.00 75.31 H new ATOM 0 HD11 LEU A 64 -3.960 1.656 -3.552 1.00 74.13 H new ATOM 0 HD12 LEU A 64 -4.456 0.091 -2.865 1.00 74.13 H new ATOM 0 HD13 LEU A 64 -5.200 0.678 -4.371 1.00 74.13 H new ATOM 0 HD21 LEU A 64 -5.409 3.616 -3.445 1.00 72.33 H new ATOM 0 HD22 LEU A 64 -6.727 2.757 -4.279 1.00 72.33 H new ATOM 0 HD23 LEU A 64 -7.025 3.530 -2.704 1.00 72.33 H new ATOM 1100 N LYS A 65 -9.384 2.883 -1.711 1.00 12.43 N ATOM 1101 CA LYS A 65 -9.895 4.272 -1.675 1.00 62.34 C ATOM 1102 C LYS A 65 -10.550 4.605 -0.314 1.00 33.11 C ATOM 1103 O LYS A 65 -10.198 5.620 0.317 1.00 52.21 O ATOM 1104 CB LYS A 65 -10.901 4.472 -2.843 1.00 60.45 C ATOM 1105 CG LYS A 65 -10.258 4.432 -4.255 1.00 74.14 C ATOM 1106 CD LYS A 65 -11.267 4.178 -5.417 1.00 42.41 C ATOM 1107 CE LYS A 65 -12.305 5.299 -5.636 1.00 55.01 C ATOM 1108 NZ LYS A 65 -13.370 5.328 -4.596 1.00 63.24 N ATOM 0 H LYS A 65 -9.827 2.307 -2.427 1.00 12.43 H new ATOM 0 HA LYS A 65 -9.057 4.958 -1.795 1.00 62.34 H new ATOM 0 HB2 LYS A 65 -11.667 3.699 -2.784 1.00 60.45 H new ATOM 0 HB3 LYS A 65 -11.405 5.430 -2.713 1.00 60.45 H new ATOM 0 HG2 LYS A 65 -9.747 5.378 -4.435 1.00 74.14 H new ATOM 0 HG3 LYS A 65 -9.498 3.651 -4.273 1.00 74.14 H new ATOM 0 HD2 LYS A 65 -10.706 4.037 -6.341 1.00 42.41 H new ATOM 0 HD3 LYS A 65 -11.797 3.246 -5.221 1.00 42.41 H new ATOM 0 HE2 LYS A 65 -11.793 6.261 -5.648 1.00 55.01 H new ATOM 0 HE3 LYS A 65 -12.767 5.171 -6.615 1.00 55.01 H new ATOM 0 HZ1 LYS A 65 -14.195 5.847 -4.958 1.00 63.24 H new ATOM 0 HZ2 LYS A 65 -13.650 4.355 -4.359 1.00 63.24 H new ATOM 0 HZ3 LYS A 65 -13.010 5.802 -3.743 1.00 63.24 H new ATOM 1122 N GLU A 66 -11.469 3.721 0.136 1.00 64.31 N ATOM 1123 CA GLU A 66 -12.186 3.874 1.423 1.00 23.35 C ATOM 1124 C GLU A 66 -11.177 3.972 2.584 1.00 71.41 C ATOM 1125 O GLU A 66 -11.253 4.865 3.435 1.00 60.15 O ATOM 1126 CB GLU A 66 -13.137 2.667 1.685 1.00 1.31 C ATOM 1127 CG GLU A 66 -14.098 2.304 0.537 1.00 64.53 C ATOM 1128 CD GLU A 66 -14.909 3.496 -0.003 1.00 5.30 C ATOM 1129 OE1 GLU A 66 -15.814 3.982 0.718 1.00 25.12 O ATOM 1130 OE2 GLU A 66 -14.657 3.943 -1.149 1.00 63.30 O ATOM 0 H GLU A 66 -11.734 2.883 -0.381 1.00 64.31 H new ATOM 0 HA GLU A 66 -12.779 4.787 1.364 1.00 23.35 H new ATOM 0 HB2 GLU A 66 -12.528 1.792 1.913 1.00 1.31 H new ATOM 0 HB3 GLU A 66 -13.730 2.883 2.574 1.00 1.31 H new ATOM 0 HG2 GLU A 66 -13.523 1.869 -0.280 1.00 64.53 H new ATOM 0 HG3 GLU A 66 -14.789 1.536 0.885 1.00 64.53 H new ATOM 1137 N MET A 67 -10.216 3.038 2.536 1.00 55.03 N ATOM 1138 CA MET A 67 -9.169 2.847 3.541 1.00 53.32 C ATOM 1139 C MET A 67 -8.250 4.068 3.647 1.00 32.31 C ATOM 1140 O MET A 67 -7.911 4.475 4.749 1.00 3.21 O ATOM 1141 CB MET A 67 -8.383 1.565 3.177 1.00 75.42 C ATOM 1142 CG MET A 67 -7.195 1.194 4.072 1.00 53.31 C ATOM 1143 SD MET A 67 -6.826 -0.582 4.031 1.00 41.41 S ATOM 1144 CE MET A 67 -7.118 -1.024 2.310 1.00 74.43 C ATOM 0 H MET A 67 -10.147 2.372 1.766 1.00 55.03 H new ATOM 0 HA MET A 67 -9.622 2.733 4.526 1.00 53.32 H new ATOM 0 HB2 MET A 67 -9.082 0.728 3.179 1.00 75.42 H new ATOM 0 HB3 MET A 67 -8.016 1.672 2.156 1.00 75.42 H new ATOM 0 HG2 MET A 67 -6.315 1.753 3.753 1.00 53.31 H new ATOM 0 HG3 MET A 67 -7.409 1.494 5.098 1.00 53.31 H new ATOM 0 HE1 MET A 67 -6.662 -1.992 2.101 1.00 74.43 H new ATOM 0 HE2 MET A 67 -8.191 -1.080 2.126 1.00 74.43 H new ATOM 0 HE3 MET A 67 -6.678 -0.268 1.660 1.00 74.43 H new ATOM 1154 N LEU A 68 -7.890 4.672 2.497 1.00 1.53 N ATOM 1155 CA LEU A 68 -7.023 5.871 2.463 1.00 73.14 C ATOM 1156 C LEU A 68 -7.725 7.090 3.084 1.00 63.25 C ATOM 1157 O LEU A 68 -7.082 7.884 3.778 1.00 1.14 O ATOM 1158 CB LEU A 68 -6.553 6.175 1.017 1.00 1.55 C ATOM 1159 CG LEU A 68 -5.557 5.139 0.398 1.00 24.45 C ATOM 1160 CD1 LEU A 68 -5.163 5.540 -1.034 1.00 65.31 C ATOM 1161 CD2 LEU A 68 -4.308 4.956 1.288 1.00 61.52 C ATOM 0 H LEU A 68 -8.186 4.349 1.576 1.00 1.53 H new ATOM 0 HA LEU A 68 -6.141 5.658 3.067 1.00 73.14 H new ATOM 0 HB2 LEU A 68 -7.431 6.237 0.374 1.00 1.55 H new ATOM 0 HB3 LEU A 68 -6.081 7.157 1.007 1.00 1.55 H new ATOM 0 HG LEU A 68 -6.069 4.178 0.349 1.00 24.45 H new ATOM 0 HD11 LEU A 68 -4.470 4.803 -1.441 1.00 65.31 H new ATOM 0 HD12 LEU A 68 -6.055 5.582 -1.658 1.00 65.31 H new ATOM 0 HD13 LEU A 68 -4.684 6.519 -1.019 1.00 65.31 H new ATOM 0 HD21 LEU A 68 -3.637 4.230 0.829 1.00 61.52 H new ATOM 0 HD22 LEU A 68 -3.793 5.911 1.392 1.00 61.52 H new ATOM 0 HD23 LEU A 68 -4.612 4.598 2.272 1.00 61.52 H new ATOM 1173 N GLU A 69 -9.047 7.216 2.843 1.00 60.52 N ATOM 1174 CA GLU A 69 -9.881 8.266 3.479 1.00 13.42 C ATOM 1175 C GLU A 69 -9.919 8.081 5.008 1.00 42.21 C ATOM 1176 O GLU A 69 -9.898 9.062 5.760 1.00 30.12 O ATOM 1177 CB GLU A 69 -11.312 8.250 2.893 1.00 63.20 C ATOM 1178 CG GLU A 69 -11.368 8.541 1.381 1.00 65.41 C ATOM 1179 CD GLU A 69 -12.781 8.435 0.800 1.00 61.25 C ATOM 1180 OE1 GLU A 69 -13.366 7.337 0.853 1.00 30.40 O ATOM 1181 OE2 GLU A 69 -13.310 9.440 0.272 1.00 73.33 O ATOM 0 H GLU A 69 -9.564 6.604 2.212 1.00 60.52 H new ATOM 0 HA GLU A 69 -9.432 9.236 3.265 1.00 13.42 H new ATOM 0 HB2 GLU A 69 -11.761 7.275 3.083 1.00 63.20 H new ATOM 0 HB3 GLU A 69 -11.918 8.988 3.418 1.00 63.20 H new ATOM 0 HG2 GLU A 69 -10.980 9.542 1.195 1.00 65.41 H new ATOM 0 HG3 GLU A 69 -10.714 7.843 0.858 1.00 65.41 H new ATOM 1188 N LEU A 70 -9.946 6.806 5.448 1.00 43.43 N ATOM 1189 CA LEU A 70 -9.888 6.437 6.876 1.00 62.25 C ATOM 1190 C LEU A 70 -8.518 6.811 7.489 1.00 61.34 C ATOM 1191 O LEU A 70 -8.475 7.456 8.536 1.00 74.01 O ATOM 1192 CB LEU A 70 -10.179 4.920 7.048 1.00 13.23 C ATOM 1193 CG LEU A 70 -11.620 4.462 6.644 1.00 32.34 C ATOM 1194 CD1 LEU A 70 -11.736 2.925 6.614 1.00 72.21 C ATOM 1195 CD2 LEU A 70 -12.672 5.084 7.585 1.00 22.33 C ATOM 0 H LEU A 70 -10.009 6.003 4.822 1.00 43.43 H new ATOM 0 HA LEU A 70 -10.653 6.999 7.411 1.00 62.25 H new ATOM 0 HB2 LEU A 70 -9.458 4.359 6.453 1.00 13.23 H new ATOM 0 HB3 LEU A 70 -10.010 4.651 8.091 1.00 13.23 H new ATOM 0 HG LEU A 70 -11.815 4.821 5.633 1.00 32.34 H new ATOM 0 HD11 LEU A 70 -12.750 2.642 6.330 1.00 72.21 H new ATOM 0 HD12 LEU A 70 -11.030 2.521 5.889 1.00 72.21 H new ATOM 0 HD13 LEU A 70 -11.511 2.524 7.602 1.00 72.21 H new ATOM 0 HD21 LEU A 70 -13.667 4.753 7.287 1.00 22.33 H new ATOM 0 HD22 LEU A 70 -12.476 4.768 8.610 1.00 22.33 H new ATOM 0 HD23 LEU A 70 -12.617 6.171 7.524 1.00 22.33 H new ATOM 1207 N ILE A 71 -7.414 6.454 6.781 1.00 14.34 N ATOM 1208 CA ILE A 71 -6.020 6.695 7.247 1.00 62.35 C ATOM 1209 C ILE A 71 -5.747 8.210 7.365 1.00 43.41 C ATOM 1210 O ILE A 71 -5.011 8.651 8.254 1.00 15.12 O ATOM 1211 CB ILE A 71 -4.938 6.056 6.280 1.00 61.12 C ATOM 1212 CG1 ILE A 71 -5.152 4.523 6.096 1.00 23.54 C ATOM 1213 CG2 ILE A 71 -3.504 6.331 6.798 1.00 22.42 C ATOM 1214 CD1 ILE A 71 -4.269 3.873 5.037 1.00 43.12 C ATOM 0 H ILE A 71 -7.464 5.992 5.873 1.00 14.34 H new ATOM 0 HA ILE A 71 -5.932 6.215 8.222 1.00 62.35 H new ATOM 0 HB ILE A 71 -5.063 6.531 5.307 1.00 61.12 H new ATOM 0 HG12 ILE A 71 -4.972 4.029 7.051 1.00 23.54 H new ATOM 0 HG13 ILE A 71 -6.196 4.345 5.837 1.00 23.54 H new ATOM 0 HG21 ILE A 71 -2.779 5.883 6.118 1.00 22.42 H new ATOM 0 HG22 ILE A 71 -3.336 7.407 6.850 1.00 22.42 H new ATOM 0 HG23 ILE A 71 -3.386 5.897 7.791 1.00 22.42 H new ATOM 0 HD11 ILE A 71 -4.491 2.807 4.983 1.00 43.12 H new ATOM 0 HD12 ILE A 71 -4.463 4.334 4.069 1.00 43.12 H new ATOM 0 HD13 ILE A 71 -3.221 4.012 5.302 1.00 43.12 H new ATOM 1226 N SER A 72 -6.364 8.984 6.455 1.00 42.10 N ATOM 1227 CA SER A 72 -6.269 10.452 6.434 1.00 13.31 C ATOM 1228 C SER A 72 -6.892 11.046 7.712 1.00 43.15 C ATOM 1229 O SER A 72 -6.325 11.959 8.320 1.00 65.02 O ATOM 1230 CB SER A 72 -6.976 11.001 5.177 1.00 60.45 C ATOM 1231 OG SER A 72 -6.921 12.418 5.109 1.00 3.20 O ATOM 0 H SER A 72 -6.946 8.604 5.709 1.00 42.10 H new ATOM 0 HA SER A 72 -5.219 10.743 6.401 1.00 13.31 H new ATOM 0 HB2 SER A 72 -6.512 10.578 4.286 1.00 60.45 H new ATOM 0 HB3 SER A 72 -8.017 10.679 5.177 1.00 60.45 H new ATOM 0 HG SER A 72 -7.378 12.725 4.298 1.00 3.20 H new ATOM 1237 N LYS A 73 -8.045 10.485 8.124 1.00 5.13 N ATOM 1238 CA LYS A 73 -8.768 10.916 9.337 1.00 65.32 C ATOM 1239 C LYS A 73 -8.068 10.396 10.613 1.00 30.12 C ATOM 1240 O LYS A 73 -8.210 10.984 11.689 1.00 15.15 O ATOM 1241 CB LYS A 73 -10.243 10.430 9.267 1.00 64.23 C ATOM 1242 CG LYS A 73 -11.041 11.016 8.077 1.00 45.43 C ATOM 1243 CD LYS A 73 -12.468 10.428 7.948 1.00 45.21 C ATOM 1244 CE LYS A 73 -13.207 10.963 6.708 1.00 12.11 C ATOM 1245 NZ LYS A 73 -14.566 10.378 6.558 1.00 23.43 N ATOM 0 H LYS A 73 -8.502 9.721 7.626 1.00 5.13 H new ATOM 0 HA LYS A 73 -8.761 12.005 9.384 1.00 65.32 H new ATOM 0 HB2 LYS A 73 -10.254 9.342 9.198 1.00 64.23 H new ATOM 0 HB3 LYS A 73 -10.747 10.696 10.196 1.00 64.23 H new ATOM 0 HG2 LYS A 73 -11.110 12.098 8.192 1.00 45.43 H new ATOM 0 HG3 LYS A 73 -10.493 10.828 7.154 1.00 45.43 H new ATOM 0 HD2 LYS A 73 -12.408 9.341 7.892 1.00 45.21 H new ATOM 0 HD3 LYS A 73 -13.041 10.670 8.843 1.00 45.21 H new ATOM 0 HE2 LYS A 73 -13.288 12.048 6.777 1.00 12.11 H new ATOM 0 HE3 LYS A 73 -12.620 10.743 5.816 1.00 12.11 H new ATOM 0 HZ1 LYS A 73 -15.021 10.770 5.709 1.00 23.43 H new ATOM 0 HZ2 LYS A 73 -14.491 9.345 6.465 1.00 23.43 H new ATOM 0 HZ3 LYS A 73 -15.138 10.609 7.395 1.00 23.43 H new ATOM 1259 N LEU A 74 -7.326 9.279 10.477 1.00 41.11 N ATOM 1260 CA LEU A 74 -6.500 8.711 11.566 1.00 41.24 C ATOM 1261 C LEU A 74 -5.168 9.483 11.707 1.00 31.41 C ATOM 1262 O LEU A 74 -4.589 9.535 12.796 1.00 25.02 O ATOM 1263 CB LEU A 74 -6.225 7.202 11.301 1.00 32.02 C ATOM 1264 CG LEU A 74 -7.471 6.254 11.296 1.00 71.41 C ATOM 1265 CD1 LEU A 74 -7.069 4.791 10.991 1.00 13.40 C ATOM 1266 CD2 LEU A 74 -8.255 6.356 12.621 1.00 42.14 C ATOM 0 H LEU A 74 -7.281 8.744 9.610 1.00 41.11 H new ATOM 0 HA LEU A 74 -7.051 8.810 12.501 1.00 41.24 H new ATOM 0 HB2 LEU A 74 -5.723 7.111 10.338 1.00 32.02 H new ATOM 0 HB3 LEU A 74 -5.528 6.844 12.058 1.00 32.02 H new ATOM 0 HG LEU A 74 -8.131 6.584 10.494 1.00 71.41 H new ATOM 0 HD11 LEU A 74 -7.958 4.161 10.996 1.00 13.40 H new ATOM 0 HD12 LEU A 74 -6.594 4.741 10.011 1.00 13.40 H new ATOM 0 HD13 LEU A 74 -6.371 4.439 11.751 1.00 13.40 H new ATOM 0 HD21 LEU A 74 -9.114 5.686 12.588 1.00 42.14 H new ATOM 0 HD22 LEU A 74 -7.607 6.073 13.450 1.00 42.14 H new ATOM 0 HD23 LEU A 74 -8.599 7.381 12.762 1.00 42.14 H new ATOM 1278 N GLY A 75 -4.706 10.083 10.593 1.00 24.04 N ATOM 1279 CA GLY A 75 -3.484 10.894 10.560 1.00 23.34 C ATOM 1280 C GLY A 75 -2.187 10.081 10.558 1.00 33.51 C ATOM 1281 O GLY A 75 -1.218 10.454 11.233 1.00 62.21 O ATOM 0 H GLY A 75 -5.175 10.016 9.690 1.00 24.04 H new ATOM 0 HA2 GLY A 75 -3.505 11.525 9.671 1.00 23.34 H new ATOM 0 HA3 GLY A 75 -3.480 11.559 11.423 1.00 23.34 H new ATOM 1285 N TYR A 76 -2.165 8.959 9.810 1.00 71.33 N ATOM 1286 CA TYR A 76 -0.932 8.151 9.615 1.00 63.04 C ATOM 1287 C TYR A 76 -0.279 8.488 8.263 1.00 12.01 C ATOM 1288 O TYR A 76 -0.974 8.881 7.316 1.00 51.15 O ATOM 1289 CB TYR A 76 -1.237 6.631 9.682 1.00 50.01 C ATOM 1290 CG TYR A 76 -1.866 6.153 11.000 1.00 54.54 C ATOM 1291 CD1 TYR A 76 -1.287 6.469 12.224 1.00 63.43 C ATOM 1292 CD2 TYR A 76 -3.023 5.368 11.018 1.00 72.33 C ATOM 1293 CE1 TYR A 76 -1.834 6.030 13.410 1.00 32.32 C ATOM 1294 CE2 TYR A 76 -3.569 4.928 12.207 1.00 43.21 C ATOM 1295 CZ TYR A 76 -2.973 5.266 13.396 1.00 31.52 C ATOM 1296 OH TYR A 76 -3.510 4.826 14.582 1.00 13.03 O ATOM 0 H TYR A 76 -2.984 8.588 9.329 1.00 71.33 H new ATOM 0 HA TYR A 76 -0.243 8.400 10.422 1.00 63.04 H new ATOM 0 HB2 TYR A 76 -1.908 6.374 8.862 1.00 50.01 H new ATOM 0 HB3 TYR A 76 -0.310 6.082 9.519 1.00 50.01 H new ATOM 0 HD1 TYR A 76 -0.390 7.071 12.246 1.00 63.43 H new ATOM 0 HD2 TYR A 76 -3.498 5.101 10.085 1.00 72.33 H new ATOM 0 HE1 TYR A 76 -1.367 6.287 14.349 1.00 32.32 H new ATOM 0 HE2 TYR A 76 -4.462 4.320 12.202 1.00 43.21 H new ATOM 0 HH TYR A 76 -3.986 3.982 14.433 1.00 13.03 H new ATOM 1306 N LYS A 77 1.062 8.337 8.192 1.00 11.11 N ATOM 1307 CA LYS A 77 1.837 8.499 6.943 1.00 75.22 C ATOM 1308 C LYS A 77 1.539 7.338 5.982 1.00 4.32 C ATOM 1309 O LYS A 77 1.531 6.178 6.398 1.00 73.23 O ATOM 1310 CB LYS A 77 3.369 8.564 7.247 1.00 0.54 C ATOM 1311 CG LYS A 77 3.856 9.827 8.025 1.00 23.43 C ATOM 1312 CD LYS A 77 4.337 10.999 7.113 1.00 42.42 C ATOM 1313 CE LYS A 77 3.243 11.595 6.203 1.00 51.33 C ATOM 1314 NZ LYS A 77 2.056 12.074 6.967 1.00 60.43 N ATOM 0 H LYS A 77 1.637 8.099 9.000 1.00 11.11 H new ATOM 0 HA LYS A 77 1.539 9.436 6.473 1.00 75.22 H new ATOM 0 HB2 LYS A 77 3.644 7.679 7.821 1.00 0.54 H new ATOM 0 HB3 LYS A 77 3.910 8.512 6.302 1.00 0.54 H new ATOM 0 HG2 LYS A 77 3.044 10.185 8.658 1.00 23.43 H new ATOM 0 HG3 LYS A 77 4.673 9.539 8.687 1.00 23.43 H new ATOM 0 HD2 LYS A 77 4.738 11.792 7.744 1.00 42.42 H new ATOM 0 HD3 LYS A 77 5.157 10.643 6.489 1.00 42.42 H new ATOM 0 HE2 LYS A 77 3.662 12.425 5.634 1.00 51.33 H new ATOM 0 HE3 LYS A 77 2.926 10.842 5.482 1.00 51.33 H new ATOM 0 HZ1 LYS A 77 1.346 12.449 6.306 1.00 60.43 H new ATOM 0 HZ2 LYS A 77 1.646 11.283 7.504 1.00 60.43 H new ATOM 0 HZ3 LYS A 77 2.347 12.825 7.625 1.00 60.43 H new ATOM 1328 N VAL A 78 1.294 7.665 4.699 1.00 73.14 N ATOM 1329 CA VAL A 78 0.943 6.672 3.664 1.00 62.52 C ATOM 1330 C VAL A 78 2.015 6.648 2.575 1.00 53.43 C ATOM 1331 O VAL A 78 2.301 7.676 1.943 1.00 15.34 O ATOM 1332 CB VAL A 78 -0.451 6.962 2.988 1.00 3.02 C ATOM 1333 CG1 VAL A 78 -0.797 5.895 1.912 1.00 71.31 C ATOM 1334 CG2 VAL A 78 -1.566 7.053 4.042 1.00 22.34 C ATOM 0 H VAL A 78 1.333 8.623 4.351 1.00 73.14 H new ATOM 0 HA VAL A 78 0.880 5.708 4.169 1.00 62.52 H new ATOM 0 HB VAL A 78 -0.375 7.926 2.486 1.00 3.02 H new ATOM 0 HG11 VAL A 78 -1.765 6.127 1.467 1.00 71.31 H new ATOM 0 HG12 VAL A 78 -0.031 5.899 1.136 1.00 71.31 H new ATOM 0 HG13 VAL A 78 -0.838 4.910 2.377 1.00 71.31 H new ATOM 0 HG21 VAL A 78 -2.517 7.254 3.549 1.00 22.34 H new ATOM 0 HG22 VAL A 78 -1.631 6.110 4.585 1.00 22.34 H new ATOM 0 HG23 VAL A 78 -1.342 7.860 4.740 1.00 22.34 H new ATOM 1344 N PHE A 79 2.610 5.475 2.378 1.00 31.45 N ATOM 1345 CA PHE A 79 3.454 5.178 1.228 1.00 25.51 C ATOM 1346 C PHE A 79 2.695 4.133 0.400 1.00 1.21 C ATOM 1347 O PHE A 79 2.471 3.013 0.868 1.00 44.42 O ATOM 1348 CB PHE A 79 4.830 4.650 1.693 1.00 11.25 C ATOM 1349 CG PHE A 79 5.701 5.677 2.432 1.00 15.14 C ATOM 1350 CD1 PHE A 79 5.480 5.982 3.776 1.00 51.44 C ATOM 1351 CD2 PHE A 79 6.745 6.341 1.779 1.00 71.14 C ATOM 1352 CE1 PHE A 79 6.264 6.908 4.438 1.00 3.45 C ATOM 1353 CE2 PHE A 79 7.527 7.270 2.444 1.00 61.24 C ATOM 1354 CZ PHE A 79 7.289 7.552 3.772 1.00 65.23 C ATOM 0 H PHE A 79 2.517 4.692 3.025 1.00 31.45 H new ATOM 0 HA PHE A 79 3.653 6.067 0.630 1.00 25.51 H new ATOM 0 HB2 PHE A 79 4.672 3.792 2.347 1.00 11.25 H new ATOM 0 HB3 PHE A 79 5.378 4.290 0.822 1.00 11.25 H new ATOM 0 HD1 PHE A 79 4.682 5.486 4.308 1.00 51.44 H new ATOM 0 HD2 PHE A 79 6.944 6.125 0.740 1.00 71.14 H new ATOM 0 HE1 PHE A 79 6.075 7.129 5.478 1.00 3.45 H new ATOM 0 HE2 PHE A 79 8.326 7.775 1.921 1.00 61.24 H new ATOM 0 HZ PHE A 79 7.902 8.274 4.291 1.00 65.23 H new ATOM 1364 N LEU A 80 2.293 4.514 -0.811 1.00 22.12 N ATOM 1365 CA LEU A 80 1.348 3.748 -1.642 1.00 10.13 C ATOM 1366 C LEU A 80 2.034 3.249 -2.916 1.00 74.23 C ATOM 1367 O LEU A 80 2.634 4.038 -3.659 1.00 74.45 O ATOM 1368 CB LEU A 80 0.108 4.612 -2.008 1.00 2.42 C ATOM 1369 CG LEU A 80 -0.914 3.958 -3.009 1.00 62.13 C ATOM 1370 CD1 LEU A 80 -1.549 2.669 -2.445 1.00 14.01 C ATOM 1371 CD2 LEU A 80 -1.995 4.963 -3.437 1.00 65.00 C ATOM 0 H LEU A 80 2.615 5.374 -1.254 1.00 22.12 H new ATOM 0 HA LEU A 80 1.012 2.887 -1.064 1.00 10.13 H new ATOM 0 HB2 LEU A 80 -0.422 4.860 -1.088 1.00 2.42 H new ATOM 0 HB3 LEU A 80 0.458 5.551 -2.438 1.00 2.42 H new ATOM 0 HG LEU A 80 -0.345 3.671 -3.893 1.00 62.13 H new ATOM 0 HD11 LEU A 80 -2.246 2.258 -3.175 1.00 14.01 H new ATOM 0 HD12 LEU A 80 -0.767 1.938 -2.238 1.00 14.01 H new ATOM 0 HD13 LEU A 80 -2.083 2.900 -1.523 1.00 14.01 H new ATOM 0 HD21 LEU A 80 -2.686 4.481 -4.129 1.00 65.00 H new ATOM 0 HD22 LEU A 80 -2.541 5.306 -2.558 1.00 65.00 H new ATOM 0 HD23 LEU A 80 -1.525 5.815 -3.928 1.00 65.00 H new ATOM 1383 N LEU A 81 1.935 1.932 -3.155 1.00 33.24 N ATOM 1384 CA LEU A 81 2.436 1.286 -4.366 1.00 23.50 C ATOM 1385 C LEU A 81 1.251 0.809 -5.213 1.00 0.34 C ATOM 1386 O LEU A 81 0.464 -0.024 -4.757 1.00 34.30 O ATOM 1387 CB LEU A 81 3.341 0.074 -4.009 1.00 2.30 C ATOM 1388 CG LEU A 81 4.121 -0.529 -5.213 1.00 41.10 C ATOM 1389 CD1 LEU A 81 5.103 0.512 -5.788 1.00 23.21 C ATOM 1390 CD2 LEU A 81 4.839 -1.842 -4.843 1.00 42.21 C ATOM 0 H LEU A 81 1.498 1.283 -2.501 1.00 33.24 H new ATOM 0 HA LEU A 81 3.029 2.007 -4.928 1.00 23.50 H new ATOM 0 HB2 LEU A 81 4.057 0.384 -3.248 1.00 2.30 H new ATOM 0 HB3 LEU A 81 2.722 -0.707 -3.566 1.00 2.30 H new ATOM 0 HG LEU A 81 3.396 -0.783 -5.986 1.00 41.10 H new ATOM 0 HD11 LEU A 81 5.642 0.077 -6.630 1.00 23.21 H new ATOM 0 HD12 LEU A 81 4.549 1.388 -6.125 1.00 23.21 H new ATOM 0 HD13 LEU A 81 5.813 0.808 -5.016 1.00 23.21 H new ATOM 0 HD21 LEU A 81 5.369 -2.225 -5.715 1.00 42.21 H new ATOM 0 HD22 LEU A 81 5.551 -1.654 -4.039 1.00 42.21 H new ATOM 0 HD23 LEU A 81 4.105 -2.577 -4.513 1.00 42.21 H new ATOM 1402 N LEU A 82 1.102 1.366 -6.422 1.00 42.21 N ATOM 1403 CA LEU A 82 0.102 0.909 -7.400 1.00 74.14 C ATOM 1404 C LEU A 82 0.820 0.169 -8.540 1.00 41.42 C ATOM 1405 O LEU A 82 1.598 0.786 -9.280 1.00 44.45 O ATOM 1406 CB LEU A 82 -0.694 2.126 -7.952 1.00 12.32 C ATOM 1407 CG LEU A 82 -1.523 2.937 -6.907 1.00 53.23 C ATOM 1408 CD1 LEU A 82 -2.175 4.180 -7.552 1.00 32.11 C ATOM 1409 CD2 LEU A 82 -2.579 2.042 -6.221 1.00 22.04 C ATOM 0 H LEU A 82 1.671 2.146 -6.751 1.00 42.21 H new ATOM 0 HA LEU A 82 -0.603 0.230 -6.920 1.00 74.14 H new ATOM 0 HB2 LEU A 82 0.009 2.806 -8.434 1.00 12.32 H new ATOM 0 HB3 LEU A 82 -1.373 1.769 -8.726 1.00 12.32 H new ATOM 0 HG LEU A 82 -0.836 3.289 -6.138 1.00 53.23 H new ATOM 0 HD11 LEU A 82 -2.745 4.724 -6.799 1.00 32.11 H new ATOM 0 HD12 LEU A 82 -1.399 4.829 -7.958 1.00 32.11 H new ATOM 0 HD13 LEU A 82 -2.842 3.866 -8.355 1.00 32.11 H new ATOM 0 HD21 LEU A 82 -3.142 2.632 -5.498 1.00 22.04 H new ATOM 0 HD22 LEU A 82 -3.260 1.642 -6.972 1.00 22.04 H new ATOM 0 HD23 LEU A 82 -2.081 1.219 -5.708 1.00 22.04 H new ATOM 1421 N GLN A 83 0.590 -1.155 -8.656 1.00 54.13 N ATOM 1422 CA GLN A 83 1.210 -1.983 -9.703 1.00 20.13 C ATOM 1423 C GLN A 83 0.173 -2.336 -10.769 1.00 54.12 C ATOM 1424 O GLN A 83 -0.745 -3.130 -10.514 1.00 62.10 O ATOM 1425 CB GLN A 83 1.847 -3.275 -9.118 1.00 73.05 C ATOM 1426 CG GLN A 83 2.761 -4.027 -10.120 1.00 74.31 C ATOM 1427 CD GLN A 83 3.435 -5.271 -9.546 1.00 14.55 C ATOM 1428 OE1 GLN A 83 3.672 -5.375 -8.342 1.00 11.33 O ATOM 1429 NE2 GLN A 83 3.776 -6.217 -10.407 1.00 63.44 N ATOM 0 H GLN A 83 -0.026 -1.674 -8.030 1.00 54.13 H new ATOM 0 HA GLN A 83 2.013 -1.402 -10.157 1.00 20.13 H new ATOM 0 HB2 GLN A 83 2.429 -3.015 -8.234 1.00 73.05 H new ATOM 0 HB3 GLN A 83 1.052 -3.945 -8.791 1.00 73.05 H new ATOM 0 HG2 GLN A 83 2.168 -4.317 -10.987 1.00 74.31 H new ATOM 0 HG3 GLN A 83 3.531 -3.342 -10.475 1.00 74.31 H new ATOM 0 HE21 GLN A 83 3.567 -6.103 -11.399 1.00 63.44 H new ATOM 0 HE22 GLN A 83 4.248 -7.060 -10.079 1.00 63.44 H new ATOM 1438 N ASP A 84 0.331 -1.743 -11.955 1.00 74.42 N ATOM 1439 CA ASP A 84 -0.548 -1.987 -13.102 1.00 23.42 C ATOM 1440 C ASP A 84 0.286 -1.821 -14.378 1.00 24.43 C ATOM 1441 O ASP A 84 0.955 -0.802 -14.549 1.00 1.55 O ATOM 1442 CB ASP A 84 -1.746 -1.001 -13.075 1.00 25.42 C ATOM 1443 CG ASP A 84 -2.886 -1.416 -14.017 1.00 45.23 C ATOM 1444 OD1 ASP A 84 -2.832 -1.100 -15.218 1.00 72.33 O ATOM 1445 OD2 ASP A 84 -3.836 -2.086 -13.554 1.00 4.52 O ATOM 0 H ASP A 84 1.078 -1.075 -12.148 1.00 74.42 H new ATOM 0 HA ASP A 84 -0.960 -2.996 -13.066 1.00 23.42 H new ATOM 0 HB2 ASP A 84 -2.130 -0.932 -12.057 1.00 25.42 H new ATOM 0 HB3 ASP A 84 -1.397 -0.006 -13.352 1.00 25.42 H new ATOM 1450 N GLN A 85 0.248 -2.829 -15.265 1.00 33.40 N ATOM 1451 CA GLN A 85 1.098 -2.880 -16.474 1.00 42.13 C ATOM 1452 C GLN A 85 0.518 -2.037 -17.630 1.00 3.31 C ATOM 1453 O GLN A 85 1.172 -1.864 -18.666 1.00 30.11 O ATOM 1454 CB GLN A 85 1.307 -4.353 -16.904 1.00 61.34 C ATOM 1455 CG GLN A 85 1.999 -5.220 -15.832 1.00 63.10 C ATOM 1456 CD GLN A 85 2.281 -6.650 -16.293 1.00 31.04 C ATOM 1457 OE1 GLN A 85 1.463 -7.555 -16.112 1.00 12.34 O ATOM 1458 NE2 GLN A 85 3.436 -6.866 -16.898 1.00 51.23 N ATOM 0 H GLN A 85 -0.372 -3.633 -15.167 1.00 33.40 H new ATOM 0 HA GLN A 85 2.064 -2.441 -16.226 1.00 42.13 H new ATOM 0 HB2 GLN A 85 0.339 -4.793 -17.145 1.00 61.34 H new ATOM 0 HB3 GLN A 85 1.903 -4.375 -17.816 1.00 61.34 H new ATOM 0 HG2 GLN A 85 2.938 -4.747 -15.545 1.00 63.10 H new ATOM 0 HG3 GLN A 85 1.372 -5.251 -14.941 1.00 63.10 H new ATOM 0 HE21 GLN A 85 4.092 -6.097 -17.033 1.00 51.23 H new ATOM 0 HE22 GLN A 85 3.671 -7.802 -17.230 1.00 51.23 H new ATOM 1467 N ASP A 86 -0.712 -1.521 -17.448 1.00 73.32 N ATOM 1468 CA ASP A 86 -1.337 -0.571 -18.384 1.00 54.21 C ATOM 1469 C ASP A 86 -1.177 0.817 -17.770 1.00 12.25 C ATOM 1470 O ASP A 86 -1.901 1.189 -16.844 1.00 73.32 O ATOM 1471 CB ASP A 86 -2.836 -0.909 -18.624 1.00 62.01 C ATOM 1472 CG ASP A 86 -3.455 -0.122 -19.801 1.00 34.02 C ATOM 1473 OD1 ASP A 86 -3.676 1.107 -19.679 1.00 51.52 O ATOM 1474 OD2 ASP A 86 -3.726 -0.732 -20.861 1.00 65.42 O ATOM 0 H ASP A 86 -1.300 -1.752 -16.647 1.00 73.32 H new ATOM 0 HA ASP A 86 -0.856 -0.623 -19.361 1.00 54.21 H new ATOM 0 HB2 ASP A 86 -2.935 -1.977 -18.817 1.00 62.01 H new ATOM 0 HB3 ASP A 86 -3.400 -0.696 -17.716 1.00 62.01 H new ATOM 1479 N GLU A 87 -0.196 1.560 -18.279 1.00 33.54 N ATOM 1480 CA GLU A 87 0.229 2.849 -17.708 1.00 44.33 C ATOM 1481 C GLU A 87 -0.813 3.969 -17.919 1.00 42.30 C ATOM 1482 O GLU A 87 -0.705 5.014 -17.284 1.00 30.53 O ATOM 1483 CB GLU A 87 1.605 3.241 -18.298 1.00 32.53 C ATOM 1484 CG GLU A 87 2.692 2.166 -18.068 1.00 1.41 C ATOM 1485 CD GLU A 87 4.013 2.482 -18.776 1.00 0.34 C ATOM 1486 OE1 GLU A 87 4.013 2.550 -20.024 1.00 63.31 O ATOM 1487 OE2 GLU A 87 5.046 2.685 -18.097 1.00 20.44 O ATOM 0 H GLU A 87 0.334 1.287 -19.106 1.00 33.54 H new ATOM 0 HA GLU A 87 0.318 2.726 -16.629 1.00 44.33 H new ATOM 0 HB2 GLU A 87 1.498 3.418 -19.368 1.00 32.53 H new ATOM 0 HB3 GLU A 87 1.931 4.180 -17.851 1.00 32.53 H new ATOM 0 HG2 GLU A 87 2.875 2.067 -16.998 1.00 1.41 H new ATOM 0 HG3 GLU A 87 2.321 1.203 -18.418 1.00 1.41 H new ATOM 1494 N ASN A 88 -1.818 3.743 -18.794 1.00 52.24 N ATOM 1495 CA ASN A 88 -2.944 4.690 -18.994 1.00 64.11 C ATOM 1496 C ASN A 88 -3.932 4.550 -17.828 1.00 52.31 C ATOM 1497 O ASN A 88 -4.372 5.551 -17.250 1.00 43.54 O ATOM 1498 CB ASN A 88 -3.669 4.444 -20.355 1.00 60.52 C ATOM 1499 CG ASN A 88 -2.877 4.899 -21.589 1.00 44.14 C ATOM 1500 OD1 ASN A 88 -1.645 4.910 -21.605 1.00 3.54 O ATOM 1501 ND2 ASN A 88 -3.584 5.273 -22.641 1.00 53.13 N ATOM 0 H ASN A 88 -1.874 2.908 -19.378 1.00 52.24 H new ATOM 0 HA ASN A 88 -2.544 5.704 -19.020 1.00 64.11 H new ATOM 0 HB2 ASN A 88 -3.886 3.380 -20.450 1.00 60.52 H new ATOM 0 HB3 ASN A 88 -4.627 4.964 -20.341 1.00 60.52 H new ATOM 0 HD21 ASN A 88 -3.111 5.580 -23.491 1.00 53.13 H new ATOM 0 HD22 ASN A 88 -4.603 5.255 -22.603 1.00 53.13 H new ATOM 1508 N GLU A 89 -4.249 3.290 -17.471 1.00 3.22 N ATOM 1509 CA GLU A 89 -5.145 2.971 -16.341 1.00 3.10 C ATOM 1510 C GLU A 89 -4.470 3.332 -15.010 1.00 64.53 C ATOM 1511 O GLU A 89 -5.114 3.854 -14.088 1.00 24.55 O ATOM 1512 CB GLU A 89 -5.518 1.464 -16.355 1.00 11.10 C ATOM 1513 CG GLU A 89 -6.345 1.017 -17.574 1.00 25.52 C ATOM 1514 CD GLU A 89 -7.742 1.663 -17.641 1.00 33.12 C ATOM 1515 OE1 GLU A 89 -8.685 1.125 -17.012 1.00 73.31 O ATOM 1516 OE2 GLU A 89 -7.909 2.703 -18.320 1.00 44.01 O ATOM 0 H GLU A 89 -3.893 2.467 -17.956 1.00 3.22 H new ATOM 0 HA GLU A 89 -6.057 3.559 -16.446 1.00 3.10 H new ATOM 0 HB2 GLU A 89 -4.601 0.876 -16.320 1.00 11.10 H new ATOM 0 HB3 GLU A 89 -6.078 1.234 -15.449 1.00 11.10 H new ATOM 0 HG2 GLU A 89 -5.797 1.261 -18.484 1.00 25.52 H new ATOM 0 HG3 GLU A 89 -6.456 -0.067 -17.550 1.00 25.52 H new ATOM 1523 N LEU A 90 -3.161 3.040 -14.952 1.00 63.51 N ATOM 1524 CA LEU A 90 -2.306 3.302 -13.795 1.00 30.24 C ATOM 1525 C LEU A 90 -2.198 4.809 -13.527 1.00 54.41 C ATOM 1526 O LEU A 90 -2.343 5.234 -12.382 1.00 33.43 O ATOM 1527 CB LEU A 90 -0.897 2.683 -14.039 1.00 14.03 C ATOM 1528 CG LEU A 90 0.174 2.894 -12.917 1.00 54.55 C ATOM 1529 CD1 LEU A 90 -0.336 2.414 -11.542 1.00 45.21 C ATOM 1530 CD2 LEU A 90 1.514 2.211 -13.286 1.00 75.01 C ATOM 0 H LEU A 90 -2.661 2.606 -15.728 1.00 63.51 H new ATOM 0 HA LEU A 90 -2.750 2.840 -12.914 1.00 30.24 H new ATOM 0 HB2 LEU A 90 -1.020 1.611 -14.193 1.00 14.03 H new ATOM 0 HB3 LEU A 90 -0.502 3.095 -14.967 1.00 14.03 H new ATOM 0 HG LEU A 90 0.355 3.966 -12.840 1.00 54.55 H new ATOM 0 HD11 LEU A 90 0.436 2.577 -10.790 1.00 45.21 H new ATOM 0 HD12 LEU A 90 -1.231 2.973 -11.270 1.00 45.21 H new ATOM 0 HD13 LEU A 90 -0.574 1.351 -11.593 1.00 45.21 H new ATOM 0 HD21 LEU A 90 2.238 2.375 -12.488 1.00 75.01 H new ATOM 0 HD22 LEU A 90 1.353 1.141 -13.416 1.00 75.01 H new ATOM 0 HD23 LEU A 90 1.895 2.636 -14.215 1.00 75.01 H new ATOM 1542 N GLU A 91 -1.981 5.602 -14.602 1.00 52.42 N ATOM 1543 CA GLU A 91 -1.732 7.054 -14.487 1.00 40.51 C ATOM 1544 C GLU A 91 -2.931 7.785 -13.866 1.00 21.23 C ATOM 1545 O GLU A 91 -2.754 8.594 -12.955 1.00 44.45 O ATOM 1546 CB GLU A 91 -1.428 7.680 -15.874 1.00 75.40 C ATOM 1547 CG GLU A 91 -0.843 9.112 -15.826 1.00 44.22 C ATOM 1548 CD GLU A 91 0.626 9.158 -15.364 1.00 3.43 C ATOM 1549 OE1 GLU A 91 0.890 9.125 -14.144 1.00 60.04 O ATOM 1550 OE2 GLU A 91 1.530 9.203 -16.226 1.00 63.02 O ATOM 0 H GLU A 91 -1.974 5.257 -15.562 1.00 52.42 H new ATOM 0 HA GLU A 91 -0.866 7.172 -13.835 1.00 40.51 H new ATOM 0 HB2 GLU A 91 -0.727 7.034 -16.403 1.00 75.40 H new ATOM 0 HB3 GLU A 91 -2.348 7.698 -16.458 1.00 75.40 H new ATOM 0 HG2 GLU A 91 -0.919 9.561 -16.816 1.00 44.22 H new ATOM 0 HG3 GLU A 91 -1.447 9.721 -15.153 1.00 44.22 H new ATOM 1557 N GLU A 92 -4.138 7.486 -14.386 1.00 21.04 N ATOM 1558 CA GLU A 92 -5.392 8.128 -13.945 1.00 3.23 C ATOM 1559 C GLU A 92 -5.650 7.907 -12.444 1.00 31.02 C ATOM 1560 O GLU A 92 -6.010 8.845 -11.726 1.00 5.14 O ATOM 1561 CB GLU A 92 -6.581 7.598 -14.785 1.00 40.41 C ATOM 1562 CG GLU A 92 -6.438 7.836 -16.301 1.00 72.02 C ATOM 1563 CD GLU A 92 -6.346 9.324 -16.690 1.00 21.02 C ATOM 1564 OE1 GLU A 92 -7.403 9.958 -16.915 1.00 71.24 O ATOM 1565 OE2 GLU A 92 -5.225 9.873 -16.767 1.00 0.20 O ATOM 0 H GLU A 92 -4.271 6.793 -15.123 1.00 21.04 H new ATOM 0 HA GLU A 92 -5.292 9.202 -14.102 1.00 3.23 H new ATOM 0 HB2 GLU A 92 -6.691 6.529 -14.605 1.00 40.41 H new ATOM 0 HB3 GLU A 92 -7.498 8.075 -14.438 1.00 40.41 H new ATOM 0 HG2 GLU A 92 -5.546 7.321 -16.658 1.00 72.02 H new ATOM 0 HG3 GLU A 92 -7.291 7.388 -16.812 1.00 72.02 H new ATOM 1572 N PHE A 93 -5.423 6.664 -11.986 1.00 61.41 N ATOM 1573 CA PHE A 93 -5.661 6.264 -10.588 1.00 41.32 C ATOM 1574 C PHE A 93 -4.547 6.794 -9.657 1.00 20.20 C ATOM 1575 O PHE A 93 -4.798 7.112 -8.488 1.00 1.34 O ATOM 1576 CB PHE A 93 -5.775 4.721 -10.490 1.00 22.51 C ATOM 1577 CG PHE A 93 -6.359 4.212 -9.168 1.00 0.20 C ATOM 1578 CD1 PHE A 93 -7.630 4.623 -8.752 1.00 22.21 C ATOM 1579 CD2 PHE A 93 -5.665 3.317 -8.356 1.00 43.14 C ATOM 1580 CE1 PHE A 93 -8.180 4.154 -7.575 1.00 14.52 C ATOM 1581 CE2 PHE A 93 -6.217 2.851 -7.179 1.00 74.21 C ATOM 1582 CZ PHE A 93 -7.473 3.270 -6.789 1.00 44.35 C ATOM 0 H PHE A 93 -5.070 5.909 -12.574 1.00 61.41 H new ATOM 0 HA PHE A 93 -6.601 6.707 -10.259 1.00 41.32 H new ATOM 0 HB2 PHE A 93 -6.397 4.362 -11.310 1.00 22.51 H new ATOM 0 HB3 PHE A 93 -4.785 4.286 -10.627 1.00 22.51 H new ATOM 0 HD1 PHE A 93 -8.190 5.318 -9.361 1.00 22.21 H new ATOM 0 HD2 PHE A 93 -4.681 2.983 -8.651 1.00 43.14 H new ATOM 0 HE1 PHE A 93 -9.164 4.480 -7.271 1.00 14.52 H new ATOM 0 HE2 PHE A 93 -5.665 2.157 -6.562 1.00 74.21 H new ATOM 0 HZ PHE A 93 -7.902 2.905 -5.867 1.00 44.35 H new ATOM 1592 N LYS A 94 -3.324 6.901 -10.203 1.00 43.51 N ATOM 1593 CA LYS A 94 -2.141 7.394 -9.478 1.00 61.42 C ATOM 1594 C LYS A 94 -2.316 8.891 -9.169 1.00 12.14 C ATOM 1595 O LYS A 94 -2.163 9.313 -8.016 1.00 13.15 O ATOM 1596 CB LYS A 94 -0.850 7.107 -10.319 1.00 45.44 C ATOM 1597 CG LYS A 94 0.518 7.269 -9.587 1.00 21.44 C ATOM 1598 CD LYS A 94 1.011 8.730 -9.423 1.00 1.12 C ATOM 1599 CE LYS A 94 1.158 9.458 -10.767 1.00 43.23 C ATOM 1600 NZ LYS A 94 1.686 10.833 -10.599 1.00 4.44 N ATOM 0 H LYS A 94 -3.127 6.645 -11.170 1.00 43.51 H new ATOM 0 HA LYS A 94 -2.034 6.872 -8.527 1.00 61.42 H new ATOM 0 HB2 LYS A 94 -0.913 6.088 -10.700 1.00 45.44 H new ATOM 0 HB3 LYS A 94 -0.853 7.771 -11.183 1.00 45.44 H new ATOM 0 HG2 LYS A 94 0.439 6.816 -8.599 1.00 21.44 H new ATOM 0 HG3 LYS A 94 1.274 6.707 -10.135 1.00 21.44 H new ATOM 0 HD2 LYS A 94 0.310 9.277 -8.792 1.00 1.12 H new ATOM 0 HD3 LYS A 94 1.971 8.730 -8.907 1.00 1.12 H new ATOM 0 HE2 LYS A 94 1.825 8.890 -11.416 1.00 43.23 H new ATOM 0 HE3 LYS A 94 0.189 9.500 -11.264 1.00 43.23 H new ATOM 0 HZ1 LYS A 94 1.770 11.289 -11.530 1.00 4.44 H new ATOM 0 HZ2 LYS A 94 1.037 11.383 -10.001 1.00 4.44 H new ATOM 0 HZ3 LYS A 94 2.622 10.793 -10.148 1.00 4.44 H new ATOM 1614 N ARG A 95 -2.670 9.678 -10.212 1.00 34.23 N ATOM 1615 CA ARG A 95 -2.849 11.140 -10.088 1.00 75.51 C ATOM 1616 C ARG A 95 -4.139 11.487 -9.318 1.00 21.23 C ATOM 1617 O ARG A 95 -4.246 12.578 -8.742 1.00 52.32 O ATOM 1618 CB ARG A 95 -2.791 11.854 -11.466 1.00 52.31 C ATOM 1619 CG ARG A 95 -3.948 11.574 -12.456 1.00 5.23 C ATOM 1620 CD ARG A 95 -3.780 12.373 -13.766 1.00 11.45 C ATOM 1621 NE ARG A 95 -4.837 12.113 -14.766 1.00 32.24 N ATOM 1622 CZ ARG A 95 -5.484 13.058 -15.473 1.00 13.24 C ATOM 1623 NH1 ARG A 95 -5.211 14.354 -15.296 1.00 13.04 N ATOM 1624 NH2 ARG A 95 -6.372 12.699 -16.389 1.00 2.35 N ATOM 0 H ARG A 95 -2.838 9.320 -11.152 1.00 34.23 H new ATOM 0 HA ARG A 95 -2.009 11.517 -9.504 1.00 75.51 H new ATOM 0 HB2 ARG A 95 -2.751 12.929 -11.288 1.00 52.31 H new ATOM 0 HB3 ARG A 95 -1.856 11.576 -11.952 1.00 52.31 H new ATOM 0 HG2 ARG A 95 -3.985 10.508 -12.681 1.00 5.23 H new ATOM 0 HG3 ARG A 95 -4.898 11.834 -11.989 1.00 5.23 H new ATOM 0 HD2 ARG A 95 -3.769 13.438 -13.532 1.00 11.45 H new ATOM 0 HD3 ARG A 95 -2.811 12.133 -14.205 1.00 11.45 H new ATOM 0 HE ARG A 95 -5.097 11.141 -14.933 1.00 32.24 H new ATOM 0 HH11 ARG A 95 -4.504 14.638 -14.618 1.00 13.04 H new ATOM 0 HH12 ARG A 95 -5.709 15.059 -15.839 1.00 13.04 H new ATOM 0 HH21 ARG A 95 -6.562 11.711 -16.555 1.00 2.35 H new ATOM 0 HH22 ARG A 95 -6.865 13.411 -16.928 1.00 2.35 H new ATOM 1638 N LYS A 96 -5.098 10.543 -9.320 1.00 53.24 N ATOM 1639 CA LYS A 96 -6.340 10.618 -8.522 1.00 61.11 C ATOM 1640 C LYS A 96 -6.023 10.715 -7.010 1.00 70.24 C ATOM 1641 O LYS A 96 -6.558 11.571 -6.291 1.00 51.10 O ATOM 1642 CB LYS A 96 -7.200 9.354 -8.809 1.00 12.34 C ATOM 1643 CG LYS A 96 -8.572 9.308 -8.118 1.00 52.21 C ATOM 1644 CD LYS A 96 -9.324 7.993 -8.414 1.00 13.31 C ATOM 1645 CE LYS A 96 -10.725 7.950 -7.797 1.00 43.55 C ATOM 1646 NZ LYS A 96 -11.618 8.999 -8.356 1.00 2.13 N ATOM 0 H LYS A 96 -5.033 9.695 -9.883 1.00 53.24 H new ATOM 0 HA LYS A 96 -6.891 11.515 -8.805 1.00 61.11 H new ATOM 0 HB2 LYS A 96 -7.354 9.279 -9.885 1.00 12.34 H new ATOM 0 HB3 LYS A 96 -6.632 8.475 -8.506 1.00 12.34 H new ATOM 0 HG2 LYS A 96 -8.440 9.416 -7.041 1.00 52.21 H new ATOM 0 HG3 LYS A 96 -9.174 10.153 -8.451 1.00 52.21 H new ATOM 0 HD2 LYS A 96 -9.405 7.863 -9.493 1.00 13.31 H new ATOM 0 HD3 LYS A 96 -8.740 7.154 -8.034 1.00 13.31 H new ATOM 0 HE2 LYS A 96 -11.167 6.969 -7.971 1.00 43.55 H new ATOM 0 HE3 LYS A 96 -10.649 8.078 -6.717 1.00 43.55 H new ATOM 0 HZ1 LYS A 96 -12.588 8.848 -8.013 1.00 2.13 H new ATOM 0 HZ2 LYS A 96 -11.285 9.936 -8.052 1.00 2.13 H new ATOM 0 HZ3 LYS A 96 -11.607 8.947 -9.395 1.00 2.13 H new ATOM 1660 N ILE A 97 -5.128 9.826 -6.563 1.00 12.22 N ATOM 1661 CA ILE A 97 -4.716 9.700 -5.152 1.00 23.40 C ATOM 1662 C ILE A 97 -3.551 10.666 -4.827 1.00 60.33 C ATOM 1663 O ILE A 97 -3.279 10.971 -3.658 1.00 22.35 O ATOM 1664 CB ILE A 97 -4.317 8.208 -4.852 1.00 64.44 C ATOM 1665 CG1 ILE A 97 -5.473 7.245 -5.294 1.00 54.52 C ATOM 1666 CG2 ILE A 97 -3.974 8.005 -3.358 1.00 34.11 C ATOM 1667 CD1 ILE A 97 -5.109 5.775 -5.280 1.00 21.12 C ATOM 0 H ILE A 97 -4.660 9.161 -7.179 1.00 12.22 H new ATOM 0 HA ILE A 97 -5.554 9.975 -4.511 1.00 23.40 H new ATOM 0 HB ILE A 97 -3.422 7.972 -5.427 1.00 64.44 H new ATOM 0 HG12 ILE A 97 -6.329 7.400 -4.637 1.00 54.52 H new ATOM 0 HG13 ILE A 97 -5.790 7.518 -6.300 1.00 54.52 H new ATOM 0 HG21 ILE A 97 -3.703 6.964 -3.185 1.00 34.11 H new ATOM 0 HG22 ILE A 97 -3.137 8.648 -3.086 1.00 34.11 H new ATOM 0 HG23 ILE A 97 -4.840 8.260 -2.748 1.00 34.11 H new ATOM 0 HD11 ILE A 97 -5.968 5.184 -5.599 1.00 21.12 H new ATOM 0 HD12 ILE A 97 -4.275 5.600 -5.960 1.00 21.12 H new ATOM 0 HD13 ILE A 97 -4.822 5.481 -4.270 1.00 21.12 H new ATOM 1679 N GLU A 98 -2.887 11.166 -5.880 1.00 13.21 N ATOM 1680 CA GLU A 98 -1.828 12.189 -5.764 1.00 33.33 C ATOM 1681 C GLU A 98 -2.393 13.479 -5.122 1.00 54.42 C ATOM 1682 O GLU A 98 -1.713 14.152 -4.336 1.00 5.34 O ATOM 1683 CB GLU A 98 -1.256 12.489 -7.169 1.00 73.12 C ATOM 1684 CG GLU A 98 -0.009 13.385 -7.200 1.00 65.54 C ATOM 1685 CD GLU A 98 1.179 12.778 -6.440 1.00 32.33 C ATOM 1686 OE1 GLU A 98 1.705 11.740 -6.884 1.00 53.42 O ATOM 1687 OE2 GLU A 98 1.602 13.343 -5.411 1.00 50.10 O ATOM 0 H GLU A 98 -3.067 10.874 -6.840 1.00 13.21 H new ATOM 0 HA GLU A 98 -1.030 11.814 -5.123 1.00 33.33 H new ATOM 0 HB2 GLU A 98 -1.014 11.543 -7.653 1.00 73.12 H new ATOM 0 HB3 GLU A 98 -2.036 12.962 -7.766 1.00 73.12 H new ATOM 0 HG2 GLU A 98 0.280 13.561 -8.236 1.00 65.54 H new ATOM 0 HG3 GLU A 98 -0.254 14.355 -6.768 1.00 65.54 H new ATOM 1694 N SER A 99 -3.674 13.761 -5.441 1.00 13.11 N ATOM 1695 CA SER A 99 -4.413 14.925 -4.937 1.00 64.32 C ATOM 1696 C SER A 99 -4.691 14.820 -3.420 1.00 71.11 C ATOM 1697 O SER A 99 -4.899 15.841 -2.758 1.00 62.31 O ATOM 1698 CB SER A 99 -5.734 15.066 -5.726 1.00 44.33 C ATOM 1699 OG SER A 99 -6.481 16.198 -5.312 1.00 21.11 O ATOM 0 H SER A 99 -4.227 13.174 -6.066 1.00 13.11 H new ATOM 0 HA SER A 99 -3.799 15.814 -5.084 1.00 64.32 H new ATOM 0 HB2 SER A 99 -5.514 15.146 -6.791 1.00 44.33 H new ATOM 0 HB3 SER A 99 -6.334 14.166 -5.592 1.00 44.33 H new ATOM 0 HG SER A 99 -7.308 16.253 -5.835 1.00 21.11 H new ATOM 1705 N GLN A 100 -4.688 13.578 -2.878 1.00 3.54 N ATOM 1706 CA GLN A 100 -4.865 13.321 -1.426 1.00 12.21 C ATOM 1707 C GLN A 100 -3.650 13.815 -0.607 1.00 2.31 C ATOM 1708 O GLN A 100 -3.767 14.020 0.604 1.00 14.43 O ATOM 1709 CB GLN A 100 -5.083 11.805 -1.146 1.00 31.04 C ATOM 1710 CG GLN A 100 -6.424 11.201 -1.630 1.00 4.05 C ATOM 1711 CD GLN A 100 -7.659 11.644 -0.819 1.00 53.22 C ATOM 1712 OE1 GLN A 100 -7.745 12.765 -0.322 1.00 34.12 O ATOM 1713 NE2 GLN A 100 -8.622 10.754 -0.658 1.00 62.13 N ATOM 0 H GLN A 100 -4.564 12.730 -3.431 1.00 3.54 H new ATOM 0 HA GLN A 100 -5.750 13.877 -1.116 1.00 12.21 H new ATOM 0 HB2 GLN A 100 -4.270 11.251 -1.615 1.00 31.04 H new ATOM 0 HB3 GLN A 100 -5.003 11.641 -0.071 1.00 31.04 H new ATOM 0 HG2 GLN A 100 -6.574 11.475 -2.674 1.00 4.05 H new ATOM 0 HG3 GLN A 100 -6.352 10.114 -1.592 1.00 4.05 H new ATOM 0 HE21 GLN A 100 -8.536 9.828 -1.077 1.00 62.13 H new ATOM 0 HE22 GLN A 100 -9.452 10.993 -0.115 1.00 62.13 H new ATOM 1722 N GLY A 101 -2.491 13.981 -1.275 1.00 2.32 N ATOM 1723 CA GLY A 101 -1.258 14.406 -0.609 1.00 64.20 C ATOM 1724 C GLY A 101 -0.504 13.232 -0.012 1.00 22.42 C ATOM 1725 O GLY A 101 -0.167 13.232 1.177 1.00 21.34 O ATOM 0 H GLY A 101 -2.390 13.825 -2.278 1.00 2.32 H new ATOM 0 HA2 GLY A 101 -0.618 14.922 -1.325 1.00 64.20 H new ATOM 0 HA3 GLY A 101 -1.498 15.121 0.178 1.00 64.20 H new ATOM 1729 N TYR A 102 -0.246 12.222 -0.853 1.00 23.41 N ATOM 1730 CA TYR A 102 0.438 10.976 -0.448 1.00 72.44 C ATOM 1731 C TYR A 102 1.663 10.739 -1.326 1.00 3.15 C ATOM 1732 O TYR A 102 1.800 11.338 -2.399 1.00 15.52 O ATOM 1733 CB TYR A 102 -0.511 9.745 -0.566 1.00 21.13 C ATOM 1734 CG TYR A 102 -1.709 9.710 0.395 1.00 43.34 C ATOM 1735 CD1 TYR A 102 -1.652 10.294 1.665 1.00 1.51 C ATOM 1736 CD2 TYR A 102 -2.892 9.055 0.042 1.00 31.00 C ATOM 1737 CE1 TYR A 102 -2.722 10.230 2.531 1.00 20.15 C ATOM 1738 CE2 TYR A 102 -3.965 8.993 0.910 1.00 64.12 C ATOM 1739 CZ TYR A 102 -3.874 9.584 2.152 1.00 11.14 C ATOM 1740 OH TYR A 102 -4.938 9.533 3.021 1.00 14.40 O ATOM 0 H TYR A 102 -0.505 12.241 -1.839 1.00 23.41 H new ATOM 0 HA TYR A 102 0.740 11.091 0.593 1.00 72.44 H new ATOM 0 HB2 TYR A 102 -0.891 9.703 -1.587 1.00 21.13 H new ATOM 0 HB3 TYR A 102 0.079 8.842 -0.409 1.00 21.13 H new ATOM 0 HD1 TYR A 102 -0.752 10.805 1.973 1.00 1.51 H new ATOM 0 HD2 TYR A 102 -2.969 8.588 -0.929 1.00 31.00 H new ATOM 0 HE1 TYR A 102 -2.655 10.687 3.507 1.00 20.15 H new ATOM 0 HE2 TYR A 102 -4.871 8.484 0.617 1.00 64.12 H new ATOM 0 HH TYR A 102 -5.435 8.700 2.881 1.00 14.40 H new ATOM 1750 N GLU A 103 2.549 9.859 -0.845 1.00 3.32 N ATOM 1751 CA GLU A 103 3.601 9.251 -1.660 1.00 73.51 C ATOM 1752 C GLU A 103 2.945 8.146 -2.509 1.00 75.21 C ATOM 1753 O GLU A 103 2.669 7.063 -2.008 1.00 44.42 O ATOM 1754 CB GLU A 103 4.740 8.694 -0.739 1.00 51.42 C ATOM 1755 CG GLU A 103 5.785 7.778 -1.426 1.00 70.32 C ATOM 1756 CD GLU A 103 6.515 8.432 -2.610 1.00 4.22 C ATOM 1757 OE1 GLU A 103 7.483 9.186 -2.381 1.00 43.22 O ATOM 1758 OE2 GLU A 103 6.130 8.190 -3.772 1.00 1.14 O ATOM 0 H GLU A 103 2.554 9.549 0.127 1.00 3.32 H new ATOM 0 HA GLU A 103 4.066 9.983 -2.321 1.00 73.51 H new ATOM 0 HB2 GLU A 103 5.265 9.539 -0.293 1.00 51.42 H new ATOM 0 HB3 GLU A 103 4.280 8.138 0.078 1.00 51.42 H new ATOM 0 HG2 GLU A 103 6.522 7.468 -0.686 1.00 70.32 H new ATOM 0 HG3 GLU A 103 5.285 6.875 -1.776 1.00 70.32 H new ATOM 1765 N VAL A 104 2.623 8.464 -3.775 1.00 11.54 N ATOM 1766 CA VAL A 104 1.968 7.524 -4.701 1.00 30.22 C ATOM 1767 C VAL A 104 2.950 7.215 -5.842 1.00 54.53 C ATOM 1768 O VAL A 104 3.361 8.130 -6.564 1.00 31.23 O ATOM 1769 CB VAL A 104 0.625 8.118 -5.287 1.00 41.14 C ATOM 1770 CG1 VAL A 104 -0.169 7.034 -6.039 1.00 74.40 C ATOM 1771 CG2 VAL A 104 -0.247 8.755 -4.183 1.00 73.42 C ATOM 0 H VAL A 104 2.809 9.379 -4.185 1.00 11.54 H new ATOM 0 HA VAL A 104 1.706 6.615 -4.159 1.00 30.22 H new ATOM 0 HB VAL A 104 0.897 8.904 -5.991 1.00 41.14 H new ATOM 0 HG11 VAL A 104 -1.089 7.465 -6.434 1.00 74.40 H new ATOM 0 HG12 VAL A 104 0.433 6.647 -6.862 1.00 74.40 H new ATOM 0 HG13 VAL A 104 -0.413 6.221 -5.355 1.00 74.40 H new ATOM 0 HG21 VAL A 104 -1.161 9.152 -4.625 1.00 73.42 H new ATOM 0 HG22 VAL A 104 -0.502 8.000 -3.439 1.00 73.42 H new ATOM 0 HG23 VAL A 104 0.305 9.564 -3.704 1.00 73.42 H new ATOM 1781 N ARG A 105 3.343 5.938 -5.987 1.00 45.31 N ATOM 1782 CA ARG A 105 4.359 5.521 -6.978 1.00 63.24 C ATOM 1783 C ARG A 105 3.716 4.660 -8.083 1.00 44.31 C ATOM 1784 O ARG A 105 2.743 3.932 -7.834 1.00 71.32 O ATOM 1785 CB ARG A 105 5.512 4.726 -6.274 1.00 2.32 C ATOM 1786 CG ARG A 105 6.947 5.074 -6.752 1.00 45.31 C ATOM 1787 CD ARG A 105 7.376 6.491 -6.324 1.00 4.13 C ATOM 1788 NE ARG A 105 8.815 6.748 -6.510 1.00 24.24 N ATOM 1789 CZ ARG A 105 9.521 7.682 -5.841 1.00 3.21 C ATOM 1790 NH1 ARG A 105 8.931 8.469 -4.941 1.00 65.20 N ATOM 1791 NH2 ARG A 105 10.815 7.834 -6.089 1.00 13.54 N ATOM 0 H ARG A 105 2.972 5.170 -5.428 1.00 45.31 H new ATOM 0 HA ARG A 105 4.780 6.416 -7.437 1.00 63.24 H new ATOM 0 HB2 ARG A 105 5.451 4.905 -5.201 1.00 2.32 H new ATOM 0 HB3 ARG A 105 5.344 3.660 -6.430 1.00 2.32 H new ATOM 0 HG2 ARG A 105 7.650 4.346 -6.347 1.00 45.31 H new ATOM 0 HG3 ARG A 105 6.996 4.994 -7.838 1.00 45.31 H new ATOM 0 HD2 ARG A 105 6.807 7.223 -6.896 1.00 4.13 H new ATOM 0 HD3 ARG A 105 7.121 6.638 -5.275 1.00 4.13 H new ATOM 0 HE ARG A 105 9.313 6.178 -7.194 1.00 24.24 H new ATOM 0 HH11 ARG A 105 7.934 8.369 -4.751 1.00 65.20 H new ATOM 0 HH12 ARG A 105 9.477 9.171 -4.442 1.00 65.20 H new ATOM 0 HH21 ARG A 105 11.274 7.245 -6.784 1.00 13.54 H new ATOM 0 HH22 ARG A 105 11.352 8.540 -5.584 1.00 13.54 H new ATOM 1805 N LYS A 106 4.293 4.746 -9.290 1.00 11.14 N ATOM 1806 CA LYS A 106 3.956 3.880 -10.428 1.00 51.21 C ATOM 1807 C LYS A 106 4.959 2.718 -10.478 1.00 23.30 C ATOM 1808 O LYS A 106 6.132 2.884 -10.106 1.00 44.01 O ATOM 1809 CB LYS A 106 4.036 4.686 -11.759 1.00 61.44 C ATOM 1810 CG LYS A 106 3.076 5.893 -11.846 1.00 31.34 C ATOM 1811 CD LYS A 106 3.259 6.719 -13.145 1.00 51.15 C ATOM 1812 CE LYS A 106 2.953 5.922 -14.421 1.00 3.24 C ATOM 1813 NZ LYS A 106 3.149 6.752 -15.638 1.00 22.02 N ATOM 0 H LYS A 106 5.018 5.430 -9.506 1.00 11.14 H new ATOM 0 HA LYS A 106 2.942 3.500 -10.306 1.00 51.21 H new ATOM 0 HB2 LYS A 106 5.058 5.042 -11.890 1.00 61.44 H new ATOM 0 HB3 LYS A 106 3.825 4.011 -12.589 1.00 61.44 H new ATOM 0 HG2 LYS A 106 2.047 5.537 -11.790 1.00 31.34 H new ATOM 0 HG3 LYS A 106 3.236 6.541 -10.984 1.00 31.34 H new ATOM 0 HD2 LYS A 106 2.608 7.593 -13.106 1.00 51.15 H new ATOM 0 HD3 LYS A 106 4.284 7.087 -13.192 1.00 51.15 H new ATOM 0 HE2 LYS A 106 3.599 5.046 -14.468 1.00 3.24 H new ATOM 0 HE3 LYS A 106 1.926 5.559 -14.388 1.00 3.24 H new ATOM 0 HZ1 LYS A 106 2.701 6.285 -16.452 1.00 22.02 H new ATOM 0 HZ2 LYS A 106 2.717 7.687 -15.494 1.00 22.02 H new ATOM 0 HZ3 LYS A 106 4.167 6.865 -15.821 1.00 22.02 H new ATOM 1827 N VAL A 107 4.481 1.547 -10.917 1.00 73.12 N ATOM 1828 CA VAL A 107 5.318 0.360 -11.139 1.00 4.32 C ATOM 1829 C VAL A 107 4.609 -0.617 -12.087 1.00 63.33 C ATOM 1830 O VAL A 107 3.381 -0.786 -12.028 1.00 73.43 O ATOM 1831 CB VAL A 107 5.708 -0.359 -9.790 1.00 33.32 C ATOM 1832 CG1 VAL A 107 4.475 -0.734 -8.958 1.00 14.25 C ATOM 1833 CG2 VAL A 107 6.590 -1.595 -10.041 1.00 51.05 C ATOM 0 H VAL A 107 3.495 1.395 -11.130 1.00 73.12 H new ATOM 0 HA VAL A 107 6.247 0.697 -11.599 1.00 4.32 H new ATOM 0 HB VAL A 107 6.289 0.360 -9.212 1.00 33.32 H new ATOM 0 HG11 VAL A 107 4.792 -1.226 -8.039 1.00 14.25 H new ATOM 0 HG12 VAL A 107 3.914 0.168 -8.712 1.00 14.25 H new ATOM 0 HG13 VAL A 107 3.841 -1.410 -9.532 1.00 14.25 H new ATOM 0 HG21 VAL A 107 6.839 -2.064 -9.089 1.00 51.05 H new ATOM 0 HG22 VAL A 107 6.050 -2.306 -10.666 1.00 51.05 H new ATOM 0 HG23 VAL A 107 7.507 -1.291 -10.546 1.00 51.05 H new ATOM 1843 N THR A 108 5.398 -1.232 -12.980 1.00 42.13 N ATOM 1844 CA THR A 108 4.925 -2.242 -13.939 1.00 3.24 C ATOM 1845 C THR A 108 5.749 -3.543 -13.807 1.00 23.02 C ATOM 1846 O THR A 108 5.235 -4.637 -14.065 1.00 23.01 O ATOM 1847 CB THR A 108 5.017 -1.702 -15.403 1.00 23.02 C ATOM 1848 OG1 THR A 108 6.373 -1.331 -15.695 1.00 52.34 O ATOM 1849 CG2 THR A 108 4.096 -0.488 -15.649 1.00 1.12 C ATOM 0 H THR A 108 6.397 -1.039 -13.058 1.00 42.13 H new ATOM 0 HA THR A 108 3.881 -2.459 -13.711 1.00 3.24 H new ATOM 0 HB THR A 108 4.685 -2.505 -16.062 1.00 23.02 H new ATOM 0 HG1 THR A 108 6.429 -0.994 -16.614 1.00 52.34 H new ATOM 0 HG21 THR A 108 4.201 -0.155 -16.682 1.00 1.12 H new ATOM 0 HG22 THR A 108 3.061 -0.773 -15.463 1.00 1.12 H new ATOM 0 HG23 THR A 108 4.375 0.323 -14.976 1.00 1.12 H new ATOM 1857 N ASP A 109 7.036 -3.412 -13.407 1.00 15.14 N ATOM 1858 CA ASP A 109 7.979 -4.555 -13.290 1.00 64.05 C ATOM 1859 C ASP A 109 7.931 -5.152 -11.864 1.00 12.52 C ATOM 1860 O ASP A 109 7.729 -4.418 -10.891 1.00 42.50 O ATOM 1861 CB ASP A 109 9.415 -4.085 -13.657 1.00 33.04 C ATOM 1862 CG ASP A 109 10.473 -5.212 -13.648 1.00 24.41 C ATOM 1863 OD1 ASP A 109 11.065 -5.497 -12.578 1.00 12.01 O ATOM 1864 OD2 ASP A 109 10.715 -5.822 -14.713 1.00 64.01 O ATOM 0 H ASP A 109 7.451 -2.515 -13.156 1.00 15.14 H new ATOM 0 HA ASP A 109 7.683 -5.340 -13.986 1.00 64.05 H new ATOM 0 HB2 ASP A 109 9.394 -3.630 -14.647 1.00 33.04 H new ATOM 0 HB3 ASP A 109 9.721 -3.309 -12.956 1.00 33.04 H new ATOM 1869 N ASP A 110 8.156 -6.479 -11.756 1.00 4.00 N ATOM 1870 CA ASP A 110 7.984 -7.232 -10.494 1.00 15.45 C ATOM 1871 C ASP A 110 9.105 -6.907 -9.476 1.00 63.11 C ATOM 1872 O ASP A 110 8.833 -6.711 -8.288 1.00 5.15 O ATOM 1873 CB ASP A 110 7.917 -8.772 -10.763 1.00 51.05 C ATOM 1874 CG ASP A 110 9.281 -9.438 -11.011 1.00 53.52 C ATOM 1875 OD1 ASP A 110 9.896 -9.172 -12.052 1.00 21.20 O ATOM 1876 OD2 ASP A 110 9.759 -10.204 -10.148 1.00 22.43 O ATOM 0 H ASP A 110 8.461 -7.058 -12.539 1.00 4.00 H new ATOM 0 HA ASP A 110 7.036 -6.917 -10.057 1.00 15.45 H new ATOM 0 HB2 ASP A 110 7.441 -9.256 -9.911 1.00 51.05 H new ATOM 0 HB3 ASP A 110 7.278 -8.949 -11.628 1.00 51.05 H new ATOM 1881 N GLU A 111 10.369 -6.844 -9.955 1.00 22.10 N ATOM 1882 CA GLU A 111 11.528 -6.584 -9.085 1.00 33.01 C ATOM 1883 C GLU A 111 11.537 -5.114 -8.680 1.00 1.24 C ATOM 1884 O GLU A 111 11.868 -4.785 -7.545 1.00 24.21 O ATOM 1885 CB GLU A 111 12.867 -6.971 -9.767 1.00 22.41 C ATOM 1886 CG GLU A 111 12.944 -8.444 -10.220 1.00 62.43 C ATOM 1887 CD GLU A 111 14.371 -8.910 -10.551 1.00 2.41 C ATOM 1888 OE1 GLU A 111 14.993 -8.328 -11.468 1.00 74.12 O ATOM 1889 OE2 GLU A 111 14.887 -9.843 -9.880 1.00 62.40 O ATOM 0 H GLU A 111 10.607 -6.970 -10.939 1.00 22.10 H new ATOM 0 HA GLU A 111 11.433 -7.209 -8.197 1.00 33.01 H new ATOM 0 HB2 GLU A 111 13.020 -6.328 -10.634 1.00 22.41 H new ATOM 0 HB3 GLU A 111 13.685 -6.772 -9.075 1.00 22.41 H new ATOM 0 HG2 GLU A 111 12.536 -9.079 -9.434 1.00 62.43 H new ATOM 0 HG3 GLU A 111 12.313 -8.579 -11.099 1.00 62.43 H new ATOM 1896 N GLU A 112 11.122 -4.255 -9.629 1.00 44.14 N ATOM 1897 CA GLU A 112 10.932 -2.818 -9.414 1.00 44.31 C ATOM 1898 C GLU A 112 9.933 -2.575 -8.273 1.00 71.11 C ATOM 1899 O GLU A 112 10.164 -1.707 -7.434 1.00 2.33 O ATOM 1900 CB GLU A 112 10.444 -2.179 -10.733 1.00 75.12 C ATOM 1901 CG GLU A 112 10.136 -0.672 -10.687 1.00 12.23 C ATOM 1902 CD GLU A 112 9.643 -0.135 -12.042 1.00 52.14 C ATOM 1903 OE1 GLU A 112 8.553 -0.554 -12.499 1.00 32.00 O ATOM 1904 OE2 GLU A 112 10.341 0.689 -12.667 1.00 71.10 O ATOM 0 H GLU A 112 10.907 -4.550 -10.581 1.00 44.14 H new ATOM 0 HA GLU A 112 11.876 -2.357 -9.123 1.00 44.31 H new ATOM 0 HB2 GLU A 112 11.202 -2.350 -11.497 1.00 75.12 H new ATOM 0 HB3 GLU A 112 9.544 -2.703 -11.054 1.00 75.12 H new ATOM 0 HG2 GLU A 112 9.379 -0.481 -9.926 1.00 12.23 H new ATOM 0 HG3 GLU A 112 11.033 -0.129 -10.388 1.00 12.23 H new ATOM 1911 N ALA A 113 8.858 -3.398 -8.234 1.00 4.11 N ATOM 1912 CA ALA A 113 7.863 -3.364 -7.147 1.00 51.32 C ATOM 1913 C ALA A 113 8.535 -3.583 -5.790 1.00 65.43 C ATOM 1914 O ALA A 113 8.367 -2.769 -4.881 1.00 60.45 O ATOM 1915 CB ALA A 113 6.759 -4.402 -7.379 1.00 64.15 C ATOM 0 H ALA A 113 8.661 -4.097 -8.951 1.00 4.11 H new ATOM 0 HA ALA A 113 7.402 -2.377 -7.145 1.00 51.32 H new ATOM 0 HB1 ALA A 113 6.038 -4.355 -6.562 1.00 64.15 H new ATOM 0 HB2 ALA A 113 6.254 -4.191 -8.321 1.00 64.15 H new ATOM 0 HB3 ALA A 113 7.199 -5.398 -7.418 1.00 64.15 H new ATOM 1921 N LEU A 114 9.363 -4.649 -5.714 1.00 25.24 N ATOM 1922 CA LEU A 114 10.101 -5.031 -4.492 1.00 15.00 C ATOM 1923 C LEU A 114 11.012 -3.870 -4.027 1.00 1.13 C ATOM 1924 O LEU A 114 11.012 -3.509 -2.849 1.00 0.44 O ATOM 1925 CB LEU A 114 10.949 -6.314 -4.751 1.00 22.42 C ATOM 1926 CG LEU A 114 10.185 -7.547 -5.343 1.00 22.21 C ATOM 1927 CD1 LEU A 114 11.147 -8.721 -5.633 1.00 61.14 C ATOM 1928 CD2 LEU A 114 9.029 -7.988 -4.425 1.00 53.11 C ATOM 0 H LEU A 114 9.538 -5.271 -6.503 1.00 25.24 H new ATOM 0 HA LEU A 114 9.380 -5.243 -3.703 1.00 15.00 H new ATOM 0 HB2 LEU A 114 11.760 -6.056 -5.432 1.00 22.42 H new ATOM 0 HB3 LEU A 114 11.407 -6.616 -3.809 1.00 22.42 H new ATOM 0 HG LEU A 114 9.750 -7.234 -6.292 1.00 22.21 H new ATOM 0 HD11 LEU A 114 10.584 -9.560 -6.043 1.00 61.14 H new ATOM 0 HD12 LEU A 114 11.901 -8.404 -6.353 1.00 61.14 H new ATOM 0 HD13 LEU A 114 11.635 -9.029 -4.708 1.00 61.14 H new ATOM 0 HD21 LEU A 114 8.521 -8.845 -4.866 1.00 53.11 H new ATOM 0 HD22 LEU A 114 9.425 -8.264 -3.448 1.00 53.11 H new ATOM 0 HD23 LEU A 114 8.322 -7.167 -4.310 1.00 53.11 H new ATOM 1940 N LYS A 115 11.725 -3.260 -5.005 1.00 51.40 N ATOM 1941 CA LYS A 115 12.693 -2.164 -4.762 1.00 1.05 C ATOM 1942 C LYS A 115 11.995 -0.920 -4.190 1.00 32.30 C ATOM 1943 O LYS A 115 12.506 -0.299 -3.257 1.00 43.41 O ATOM 1944 CB LYS A 115 13.449 -1.776 -6.069 1.00 42.31 C ATOM 1945 CG LYS A 115 14.255 -2.920 -6.727 1.00 33.44 C ATOM 1946 CD LYS A 115 15.388 -3.512 -5.845 1.00 33.34 C ATOM 1947 CE LYS A 115 16.682 -2.662 -5.809 1.00 52.05 C ATOM 1948 NZ LYS A 115 16.490 -1.309 -5.213 1.00 1.41 N ATOM 0 H LYS A 115 11.644 -3.516 -5.989 1.00 51.40 H new ATOM 0 HA LYS A 115 13.414 -2.533 -4.032 1.00 1.05 H new ATOM 0 HB2 LYS A 115 12.724 -1.401 -6.792 1.00 42.31 H new ATOM 0 HB3 LYS A 115 14.130 -0.955 -5.846 1.00 42.31 H new ATOM 0 HG2 LYS A 115 13.567 -3.722 -6.996 1.00 33.44 H new ATOM 0 HG3 LYS A 115 14.692 -2.550 -7.655 1.00 33.44 H new ATOM 0 HD2 LYS A 115 15.016 -3.628 -4.827 1.00 33.34 H new ATOM 0 HD3 LYS A 115 15.633 -4.509 -6.211 1.00 33.34 H new ATOM 0 HE2 LYS A 115 17.442 -3.196 -5.239 1.00 52.05 H new ATOM 0 HE3 LYS A 115 17.063 -2.552 -6.824 1.00 52.05 H new ATOM 0 HZ1 LYS A 115 17.378 -0.995 -4.772 1.00 1.41 H new ATOM 0 HZ2 LYS A 115 16.217 -0.637 -5.958 1.00 1.41 H new ATOM 0 HZ3 LYS A 115 15.741 -1.350 -4.492 1.00 1.41 H new ATOM 1962 N ILE A 116 10.817 -0.580 -4.755 1.00 23.45 N ATOM 1963 CA ILE A 116 10.055 0.618 -4.360 1.00 23.21 C ATOM 1964 C ILE A 116 9.419 0.443 -2.964 1.00 2.31 C ATOM 1965 O ILE A 116 9.297 1.418 -2.216 1.00 33.25 O ATOM 1966 CB ILE A 116 8.964 0.993 -5.432 1.00 20.21 C ATOM 1967 CG1 ILE A 116 9.609 1.301 -6.829 1.00 63.03 C ATOM 1968 CG2 ILE A 116 8.111 2.190 -4.970 1.00 43.04 C ATOM 1969 CD1 ILE A 116 10.539 2.516 -6.880 1.00 44.44 C ATOM 0 H ILE A 116 10.372 -1.126 -5.493 1.00 23.45 H new ATOM 0 HA ILE A 116 10.762 1.446 -4.306 1.00 23.21 H new ATOM 0 HB ILE A 116 8.314 0.125 -5.539 1.00 20.21 H new ATOM 0 HG12 ILE A 116 10.170 0.424 -7.150 1.00 63.03 H new ATOM 0 HG13 ILE A 116 8.808 1.450 -7.553 1.00 63.03 H new ATOM 0 HG21 ILE A 116 7.368 2.423 -5.733 1.00 43.04 H new ATOM 0 HG22 ILE A 116 7.607 1.939 -4.037 1.00 43.04 H new ATOM 0 HG23 ILE A 116 8.754 3.056 -4.813 1.00 43.04 H new ATOM 0 HD11 ILE A 116 10.927 2.635 -7.891 1.00 44.44 H new ATOM 0 HD12 ILE A 116 9.985 3.411 -6.597 1.00 44.44 H new ATOM 0 HD13 ILE A 116 11.368 2.369 -6.188 1.00 44.44 H new ATOM 1981 N VAL A 117 9.024 -0.797 -2.608 1.00 11.35 N ATOM 1982 CA VAL A 117 8.556 -1.104 -1.237 1.00 61.42 C ATOM 1983 C VAL A 117 9.710 -0.884 -0.239 1.00 3.43 C ATOM 1984 O VAL A 117 9.505 -0.364 0.853 1.00 23.33 O ATOM 1985 CB VAL A 117 8.009 -2.573 -1.080 1.00 21.55 C ATOM 1986 CG1 VAL A 117 7.451 -2.814 0.340 1.00 20.41 C ATOM 1987 CG2 VAL A 117 6.932 -2.894 -2.127 1.00 21.53 C ATOM 0 H VAL A 117 9.019 -1.596 -3.242 1.00 11.35 H new ATOM 0 HA VAL A 117 7.725 -0.430 -1.030 1.00 61.42 H new ATOM 0 HB VAL A 117 8.853 -3.243 -1.243 1.00 21.55 H new ATOM 0 HG11 VAL A 117 7.081 -3.836 0.417 1.00 20.41 H new ATOM 0 HG12 VAL A 117 8.242 -2.658 1.073 1.00 20.41 H new ATOM 0 HG13 VAL A 117 6.635 -2.118 0.533 1.00 20.41 H new ATOM 0 HG21 VAL A 117 6.580 -3.916 -1.985 1.00 21.53 H new ATOM 0 HG22 VAL A 117 6.096 -2.203 -2.013 1.00 21.53 H new ATOM 0 HG23 VAL A 117 7.354 -2.791 -3.127 1.00 21.53 H new ATOM 1997 N ARG A 118 10.929 -1.262 -0.656 1.00 23.40 N ATOM 1998 CA ARG A 118 12.146 -1.117 0.162 1.00 42.43 C ATOM 1999 C ARG A 118 12.645 0.338 0.174 1.00 33.12 C ATOM 2000 O ARG A 118 13.422 0.709 1.053 1.00 11.21 O ATOM 2001 CB ARG A 118 13.235 -2.114 -0.306 1.00 1.25 C ATOM 2002 CG ARG A 118 12.780 -3.593 -0.246 1.00 43.21 C ATOM 2003 CD ARG A 118 13.896 -4.595 -0.566 1.00 51.50 C ATOM 2004 NE ARG A 118 14.930 -4.624 0.483 1.00 3.12 N ATOM 2005 CZ ARG A 118 15.590 -5.723 0.896 1.00 45.14 C ATOM 2006 NH1 ARG A 118 15.347 -6.921 0.351 1.00 44.10 N ATOM 2007 NH2 ARG A 118 16.490 -5.607 1.866 1.00 30.53 N ATOM 0 H ARG A 118 11.100 -1.678 -1.572 1.00 23.40 H new ATOM 0 HA ARG A 118 11.901 -1.365 1.195 1.00 42.43 H new ATOM 0 HB2 ARG A 118 13.524 -1.872 -1.329 1.00 1.25 H new ATOM 0 HB3 ARG A 118 14.123 -1.989 0.314 1.00 1.25 H new ATOM 0 HG2 ARG A 118 12.389 -3.804 0.750 1.00 43.21 H new ATOM 0 HG3 ARG A 118 11.959 -3.740 -0.948 1.00 43.21 H new ATOM 0 HD2 ARG A 118 13.467 -5.591 -0.680 1.00 51.50 H new ATOM 0 HD3 ARG A 118 14.355 -4.334 -1.520 1.00 51.50 H new ATOM 0 HE ARG A 118 15.165 -3.740 0.933 1.00 3.12 H new ATOM 0 HH11 ARG A 118 14.652 -7.013 -0.390 1.00 44.10 H new ATOM 0 HH12 ARG A 118 15.857 -7.742 0.677 1.00 44.10 H new ATOM 0 HH21 ARG A 118 16.672 -4.696 2.286 1.00 30.53 H new ATOM 0 HH22 ARG A 118 16.999 -6.429 2.191 1.00 30.53 H new ATOM 2021 N GLU A 119 12.198 1.155 -0.810 1.00 44.31 N ATOM 2022 CA GLU A 119 12.324 2.623 -0.729 1.00 11.52 C ATOM 2023 C GLU A 119 11.431 3.125 0.411 1.00 23.01 C ATOM 2024 O GLU A 119 11.904 3.781 1.334 1.00 30.24 O ATOM 2025 CB GLU A 119 11.901 3.325 -2.053 1.00 0.31 C ATOM 2026 CG GLU A 119 12.802 3.033 -3.262 1.00 2.41 C ATOM 2027 CD GLU A 119 14.255 3.497 -3.066 1.00 24.51 C ATOM 2028 OE1 GLU A 119 14.492 4.730 -3.051 1.00 1.41 O ATOM 2029 OE2 GLU A 119 15.156 2.643 -2.921 1.00 74.34 O ATOM 0 H GLU A 119 11.750 0.821 -1.663 1.00 44.31 H new ATOM 0 HA GLU A 119 13.372 2.864 -0.549 1.00 11.52 H new ATOM 0 HB2 GLU A 119 10.883 3.023 -2.297 1.00 0.31 H new ATOM 0 HB3 GLU A 119 11.882 4.402 -1.885 1.00 0.31 H new ATOM 0 HG2 GLU A 119 12.794 1.961 -3.461 1.00 2.41 H new ATOM 0 HG3 GLU A 119 12.387 3.524 -4.142 1.00 2.41 H new ATOM 2036 N PHE A 120 10.136 2.746 0.326 1.00 44.51 N ATOM 2037 CA PHE A 120 9.084 3.146 1.279 1.00 61.24 C ATOM 2038 C PHE A 120 9.459 2.821 2.729 1.00 21.31 C ATOM 2039 O PHE A 120 9.321 3.666 3.607 1.00 30.43 O ATOM 2040 CB PHE A 120 7.742 2.443 0.930 1.00 34.13 C ATOM 2041 CG PHE A 120 7.083 2.866 -0.390 1.00 13.34 C ATOM 2042 CD1 PHE A 120 7.446 4.046 -1.062 1.00 43.44 C ATOM 2043 CD2 PHE A 120 6.059 2.092 -0.935 1.00 70.22 C ATOM 2044 CE1 PHE A 120 6.811 4.415 -2.234 1.00 70.54 C ATOM 2045 CE2 PHE A 120 5.430 2.474 -2.097 1.00 60.03 C ATOM 2046 CZ PHE A 120 5.800 3.632 -2.743 1.00 41.15 C ATOM 0 H PHE A 120 9.790 2.143 -0.421 1.00 44.51 H new ATOM 0 HA PHE A 120 8.974 4.227 1.192 1.00 61.24 H new ATOM 0 HB2 PHE A 120 7.916 1.367 0.898 1.00 34.13 H new ATOM 0 HB3 PHE A 120 7.037 2.628 1.740 1.00 34.13 H new ATOM 0 HD1 PHE A 120 8.229 4.671 -0.659 1.00 43.44 H new ATOM 0 HD2 PHE A 120 5.756 1.182 -0.439 1.00 70.22 H new ATOM 0 HE1 PHE A 120 7.108 5.317 -2.749 1.00 70.54 H new ATOM 0 HE2 PHE A 120 4.640 1.861 -2.506 1.00 60.03 H new ATOM 0 HZ PHE A 120 5.296 3.927 -3.651 1.00 41.15 H new ATOM 2056 N MET A 121 9.937 1.586 2.943 1.00 33.02 N ATOM 2057 CA MET A 121 10.290 1.072 4.270 1.00 32.14 C ATOM 2058 C MET A 121 11.573 1.720 4.814 1.00 70.04 C ATOM 2059 O MET A 121 11.653 1.989 6.010 1.00 4.13 O ATOM 2060 CB MET A 121 10.442 -0.470 4.229 1.00 75.45 C ATOM 2061 CG MET A 121 9.147 -1.237 3.929 1.00 50.33 C ATOM 2062 SD MET A 121 9.391 -3.017 4.011 1.00 23.24 S ATOM 2063 CE MET A 121 10.592 -3.286 2.705 1.00 73.32 C ATOM 0 H MET A 121 10.090 0.912 2.192 1.00 33.02 H new ATOM 0 HA MET A 121 9.478 1.333 4.948 1.00 32.14 H new ATOM 0 HB2 MET A 121 11.184 -0.728 3.473 1.00 75.45 H new ATOM 0 HB3 MET A 121 10.834 -0.808 5.188 1.00 75.45 H new ATOM 0 HG2 MET A 121 8.377 -0.942 4.642 1.00 50.33 H new ATOM 0 HG3 MET A 121 8.785 -0.965 2.938 1.00 50.33 H new ATOM 0 HE1 MET A 121 10.740 -4.356 2.562 1.00 73.32 H new ATOM 0 HE2 MET A 121 10.227 -2.843 1.778 1.00 73.32 H new ATOM 0 HE3 MET A 121 11.539 -2.822 2.981 1.00 73.32 H new ATOM 2073 N GLN A 122 12.576 1.943 3.935 1.00 42.04 N ATOM 2074 CA GLN A 122 13.863 2.581 4.320 1.00 70.21 C ATOM 2075 C GLN A 122 13.622 4.030 4.781 1.00 64.53 C ATOM 2076 O GLN A 122 14.152 4.476 5.804 1.00 14.23 O ATOM 2077 CB GLN A 122 14.859 2.569 3.126 1.00 14.13 C ATOM 2078 CG GLN A 122 16.273 3.091 3.459 1.00 24.42 C ATOM 2079 CD GLN A 122 17.117 3.405 2.222 1.00 22.10 C ATOM 2080 OE1 GLN A 122 17.088 4.526 1.708 1.00 10.32 O ATOM 2081 NE2 GLN A 122 17.868 2.429 1.728 1.00 41.21 N ATOM 0 H GLN A 122 12.521 1.690 2.948 1.00 42.04 H new ATOM 0 HA GLN A 122 14.294 2.010 5.143 1.00 70.21 H new ATOM 0 HB2 GLN A 122 14.942 1.549 2.751 1.00 14.13 H new ATOM 0 HB3 GLN A 122 14.444 3.173 2.319 1.00 14.13 H new ATOM 0 HG2 GLN A 122 16.185 3.992 4.067 1.00 24.42 H new ATOM 0 HG3 GLN A 122 16.792 2.348 4.064 1.00 24.42 H new ATOM 0 HE21 GLN A 122 17.871 1.512 2.175 1.00 41.21 H new ATOM 0 HE22 GLN A 122 18.442 2.596 0.901 1.00 41.21 H new ATOM 2090 N LYS A 123 12.776 4.731 4.010 1.00 31.23 N ATOM 2091 CA LYS A 123 12.447 6.147 4.230 1.00 50.30 C ATOM 2092 C LYS A 123 11.537 6.295 5.456 1.00 41.33 C ATOM 2093 O LYS A 123 11.755 7.180 6.281 1.00 74.32 O ATOM 2094 CB LYS A 123 11.790 6.741 2.954 1.00 22.21 C ATOM 2095 CG LYS A 123 12.732 6.738 1.724 1.00 42.24 C ATOM 2096 CD LYS A 123 12.015 7.103 0.406 1.00 34.54 C ATOM 2097 CE LYS A 123 12.959 7.034 -0.804 1.00 53.51 C ATOM 2098 NZ LYS A 123 12.284 7.437 -2.062 1.00 54.45 N ATOM 0 H LYS A 123 12.296 4.325 3.207 1.00 31.23 H new ATOM 0 HA LYS A 123 13.362 6.706 4.428 1.00 50.30 H new ATOM 0 HB2 LYS A 123 10.892 6.171 2.717 1.00 22.21 H new ATOM 0 HB3 LYS A 123 11.474 7.764 3.159 1.00 22.21 H new ATOM 0 HG2 LYS A 123 13.544 7.444 1.895 1.00 42.24 H new ATOM 0 HG3 LYS A 123 13.183 5.751 1.623 1.00 42.24 H new ATOM 0 HD2 LYS A 123 11.176 6.424 0.250 1.00 34.54 H new ATOM 0 HD3 LYS A 123 11.601 8.108 0.485 1.00 34.54 H new ATOM 0 HE2 LYS A 123 13.818 7.682 -0.630 1.00 53.51 H new ATOM 0 HE3 LYS A 123 13.341 6.019 -0.907 1.00 53.51 H new ATOM 0 HZ1 LYS A 123 12.957 7.376 -2.852 1.00 54.45 H new ATOM 0 HZ2 LYS A 123 11.479 6.803 -2.243 1.00 54.45 H new ATOM 0 HZ3 LYS A 123 11.941 8.415 -1.974 1.00 54.45 H new ATOM 2112 N ALA A 124 10.553 5.384 5.585 1.00 30.45 N ATOM 2113 CA ALA A 124 9.649 5.326 6.750 1.00 31.25 C ATOM 2114 C ALA A 124 10.425 4.948 8.020 1.00 62.31 C ATOM 2115 O ALA A 124 10.130 5.449 9.102 1.00 12.32 O ATOM 2116 CB ALA A 124 8.511 4.326 6.499 1.00 61.43 C ATOM 0 H ALA A 124 10.363 4.668 4.884 1.00 30.45 H new ATOM 0 HA ALA A 124 9.215 6.315 6.895 1.00 31.25 H new ATOM 0 HB1 ALA A 124 7.854 4.296 7.368 1.00 61.43 H new ATOM 0 HB2 ALA A 124 7.940 4.636 5.624 1.00 61.43 H new ATOM 0 HB3 ALA A 124 8.929 3.334 6.326 1.00 61.43 H new ATOM 2122 N GLY A 125 11.444 4.081 7.849 1.00 4.43 N ATOM 2123 CA GLY A 125 12.328 3.668 8.945 1.00 51.33 C ATOM 2124 C GLY A 125 13.278 4.787 9.359 1.00 54.33 C ATOM 2125 O GLY A 125 13.727 4.841 10.506 1.00 72.12 O ATOM 0 H GLY A 125 11.672 3.653 6.952 1.00 4.43 H new ATOM 0 HA2 GLY A 125 11.727 3.366 9.803 1.00 51.33 H new ATOM 0 HA3 GLY A 125 12.905 2.796 8.637 1.00 51.33 H new ATOM 2129 N SER A 126 13.568 5.693 8.406 1.00 20.21 N ATOM 2130 CA SER A 126 14.375 6.901 8.652 1.00 20.35 C ATOM 2131 C SER A 126 13.495 8.012 9.271 1.00 41.32 C ATOM 2132 O SER A 126 14.008 8.891 9.965 1.00 5.50 O ATOM 2133 CB SER A 126 15.030 7.369 7.331 1.00 23.12 C ATOM 2134 OG SER A 126 15.830 8.531 7.506 1.00 73.51 O ATOM 0 H SER A 126 13.248 5.607 7.441 1.00 20.21 H new ATOM 0 HA SER A 126 15.169 6.671 9.363 1.00 20.35 H new ATOM 0 HB2 SER A 126 15.645 6.564 6.929 1.00 23.12 H new ATOM 0 HB3 SER A 126 14.252 7.574 6.595 1.00 23.12 H new ATOM 0 HG SER A 126 16.224 8.789 6.647 1.00 73.51 H new ATOM 2140 N LEU A 127 12.161 7.959 9.022 1.00 22.44 N ATOM 2141 CA LEU A 127 11.192 8.884 9.659 1.00 75.05 C ATOM 2142 C LEU A 127 11.018 8.496 11.137 1.00 21.32 C ATOM 2143 O LEU A 127 11.086 9.349 12.022 1.00 40.51 O ATOM 2144 CB LEU A 127 9.805 8.868 8.932 1.00 24.32 C ATOM 2145 CG LEU A 127 9.773 9.370 7.446 1.00 61.12 C ATOM 2146 CD1 LEU A 127 8.342 9.297 6.856 1.00 1.21 C ATOM 2147 CD2 LEU A 127 10.362 10.791 7.310 1.00 14.22 C ATOM 0 H LEU A 127 11.734 7.286 8.385 1.00 22.44 H new ATOM 0 HA LEU A 127 11.587 9.897 9.582 1.00 75.05 H new ATOM 0 HB2 LEU A 127 9.424 7.847 8.953 1.00 24.32 H new ATOM 0 HB3 LEU A 127 9.112 9.479 9.511 1.00 24.32 H new ATOM 0 HG LEU A 127 10.406 8.699 6.866 1.00 61.12 H new ATOM 0 HD11 LEU A 127 8.355 9.652 5.825 1.00 1.21 H new ATOM 0 HD12 LEU A 127 7.991 8.265 6.880 1.00 1.21 H new ATOM 0 HD13 LEU A 127 7.673 9.922 7.447 1.00 1.21 H new ATOM 0 HD21 LEU A 127 10.322 11.103 6.266 1.00 14.22 H new ATOM 0 HD22 LEU A 127 9.782 11.485 7.919 1.00 14.22 H new ATOM 0 HD23 LEU A 127 11.398 10.789 7.649 1.00 14.22 H new ATOM 2159 N GLU A 128 10.889 7.173 11.380 1.00 73.41 N ATOM 2160 CA GLU A 128 10.670 6.585 12.723 1.00 53.32 C ATOM 2161 C GLU A 128 11.858 6.775 13.691 1.00 53.23 C ATOM 2162 O GLU A 128 11.764 6.360 14.852 1.00 11.13 O ATOM 2163 CB GLU A 128 10.350 5.069 12.590 1.00 5.01 C ATOM 2164 CG GLU A 128 8.949 4.747 12.031 1.00 73.41 C ATOM 2165 CD GLU A 128 7.777 5.191 12.938 1.00 25.13 C ATOM 2166 OE1 GLU A 128 7.903 5.120 14.181 1.00 63.24 O ATOM 2167 OE2 GLU A 128 6.690 5.516 12.419 1.00 75.15 O ATOM 0 H GLU A 128 10.934 6.473 10.640 1.00 73.41 H new ATOM 0 HA GLU A 128 9.827 7.124 13.155 1.00 53.32 H new ATOM 0 HB2 GLU A 128 11.098 4.610 11.943 1.00 5.01 H new ATOM 0 HB3 GLU A 128 10.449 4.604 13.571 1.00 5.01 H new ATOM 0 HG2 GLU A 128 8.841 5.227 11.059 1.00 73.41 H new ATOM 0 HG3 GLU A 128 8.876 3.672 11.866 1.00 73.41 H new ATOM 2174 N HIS A 129 12.960 7.391 13.208 1.00 74.25 N ATOM 2175 CA HIS A 129 14.136 7.726 14.035 1.00 72.04 C ATOM 2176 C HIS A 129 13.733 8.652 15.207 1.00 42.33 C ATOM 2177 O HIS A 129 12.655 9.260 15.189 1.00 52.14 O ATOM 2178 CB HIS A 129 15.240 8.407 13.173 1.00 11.22 C ATOM 2179 CG HIS A 129 15.052 9.890 12.915 1.00 22.03 C ATOM 2180 ND1 HIS A 129 13.988 10.409 12.211 1.00 23.00 N ATOM 2181 CD2 HIS A 129 15.789 10.965 13.303 1.00 21.11 C ATOM 2182 CE1 HIS A 129 14.093 11.716 12.155 1.00 44.00 C ATOM 2183 NE2 HIS A 129 15.169 12.079 12.815 1.00 60.41 N ATOM 0 H HIS A 129 13.057 7.669 12.232 1.00 74.25 H new ATOM 0 HA HIS A 129 14.536 6.798 14.444 1.00 72.04 H new ATOM 0 HB2 HIS A 129 16.201 8.262 13.666 1.00 11.22 H new ATOM 0 HB3 HIS A 129 15.294 7.894 12.213 1.00 11.22 H new ATOM 0 HD1 HIS A 129 13.234 9.861 11.797 1.00 23.00 H new ATOM 0 HD2 HIS A 129 16.696 10.942 13.888 1.00 21.11 H new ATOM 0 HE1 HIS A 129 13.409 12.382 11.650 1.00 44.00 H new ATOM 2192 N HIS A 130 14.630 8.774 16.191 1.00 43.44 N ATOM 2193 CA HIS A 130 14.409 9.564 17.413 1.00 64.12 C ATOM 2194 C HIS A 130 14.392 11.085 17.094 1.00 2.24 C ATOM 2195 O HIS A 130 15.415 11.758 17.229 1.00 75.33 O ATOM 2196 CB HIS A 130 15.507 9.184 18.456 1.00 42.24 C ATOM 2197 CG HIS A 130 15.275 9.711 19.851 1.00 14.23 C ATOM 2198 ND1 HIS A 130 14.661 8.975 20.841 1.00 31.21 N ATOM 2199 CD2 HIS A 130 15.587 10.903 20.419 1.00 55.12 C ATOM 2200 CE1 HIS A 130 14.600 9.694 21.944 1.00 42.20 C ATOM 2201 NE2 HIS A 130 15.152 10.866 21.716 1.00 64.13 N ATOM 0 H HIS A 130 15.544 8.321 16.163 1.00 43.44 H new ATOM 0 HA HIS A 130 13.432 9.334 17.839 1.00 64.12 H new ATOM 0 HB2 HIS A 130 15.581 8.098 18.503 1.00 42.24 H new ATOM 0 HB3 HIS A 130 16.468 9.554 18.100 1.00 42.24 H new ATOM 0 HD2 HIS A 130 16.087 11.730 19.936 1.00 55.12 H new ATOM 0 HE1 HIS A 130 14.168 9.374 22.881 1.00 42.20 H new ATOM 0 HE2 HIS A 130 15.241 11.623 22.394 1.00 64.13 H new ATOM 2210 N HIS A 131 13.207 11.538 16.598 1.00 32.14 N ATOM 2211 CA HIS A 131 12.809 12.935 16.240 1.00 31.31 C ATOM 2212 C HIS A 131 11.736 12.851 15.122 1.00 51.52 C ATOM 2213 O HIS A 131 12.047 12.996 13.936 1.00 75.34 O ATOM 2214 CB HIS A 131 13.964 13.903 15.776 1.00 1.51 C ATOM 2215 CG HIS A 131 14.730 14.576 16.891 1.00 22.44 C ATOM 2216 ND1 HIS A 131 16.098 14.736 16.867 1.00 74.11 N ATOM 2217 CD2 HIS A 131 14.311 15.137 18.053 1.00 65.32 C ATOM 2218 CE1 HIS A 131 16.484 15.354 17.962 1.00 0.41 C ATOM 2219 NE2 HIS A 131 15.424 15.605 18.702 1.00 35.42 N ATOM 0 H HIS A 131 12.442 10.886 16.423 1.00 32.14 H new ATOM 0 HA HIS A 131 12.443 13.381 17.165 1.00 31.31 H new ATOM 0 HB2 HIS A 131 14.667 13.336 15.165 1.00 1.51 H new ATOM 0 HB3 HIS A 131 13.534 14.674 15.136 1.00 1.51 H new ATOM 0 HD2 HIS A 131 13.291 15.203 18.402 1.00 65.32 H new ATOM 0 HE1 HIS A 131 17.502 15.613 18.213 1.00 0.41 H new ATOM 0 HE2 HIS A 131 15.430 16.071 19.609 1.00 35.42 H new ATOM 2228 N HIS A 132 10.481 12.589 15.507 1.00 55.24 N ATOM 2229 CA HIS A 132 9.353 12.478 14.551 1.00 75.12 C ATOM 2230 C HIS A 132 8.027 12.837 15.229 1.00 62.23 C ATOM 2231 O HIS A 132 7.992 13.113 16.433 1.00 64.14 O ATOM 2232 CB HIS A 132 9.284 11.051 13.930 1.00 50.11 C ATOM 2233 CG HIS A 132 8.948 9.925 14.895 1.00 30.11 C ATOM 2234 ND1 HIS A 132 7.773 9.203 14.829 1.00 14.42 N ATOM 2235 CD2 HIS A 132 9.651 9.374 15.920 1.00 44.24 C ATOM 2236 CE1 HIS A 132 7.770 8.271 15.758 1.00 22.14 C ATOM 2237 NE2 HIS A 132 8.890 8.356 16.436 1.00 43.40 N ATOM 0 H HIS A 132 10.212 12.448 16.481 1.00 55.24 H new ATOM 0 HA HIS A 132 9.528 13.189 13.744 1.00 75.12 H new ATOM 0 HB2 HIS A 132 8.539 11.057 13.135 1.00 50.11 H new ATOM 0 HB3 HIS A 132 10.245 10.831 13.465 1.00 50.11 H new ATOM 0 HD1 HIS A 132 7.020 9.367 14.161 1.00 14.42 H new ATOM 0 HD2 HIS A 132 10.628 9.681 16.264 1.00 44.24 H new ATOM 0 HE1 HIS A 132 6.979 7.557 15.933 1.00 22.14 H new ATOM 2246 N HIS A 133 6.945 12.874 14.426 1.00 42.13 N ATOM 2247 CA HIS A 133 5.568 12.934 14.956 1.00 30.34 C ATOM 2248 C HIS A 133 5.296 11.627 15.725 1.00 40.34 C ATOM 2249 O HIS A 133 5.336 10.551 15.112 1.00 33.32 O ATOM 2250 CB HIS A 133 4.514 13.116 13.823 1.00 32.44 C ATOM 2251 CG HIS A 133 4.557 14.438 13.098 1.00 23.33 C ATOM 2252 ND1 HIS A 133 3.485 15.306 13.050 1.00 23.23 N ATOM 2253 CD2 HIS A 133 5.528 15.015 12.356 1.00 61.41 C ATOM 2254 CE1 HIS A 133 3.800 16.353 12.317 1.00 50.54 C ATOM 2255 NE2 HIS A 133 5.032 16.200 11.888 1.00 14.41 N ATOM 0 H HIS A 133 6.998 12.863 13.407 1.00 42.13 H new ATOM 0 HA HIS A 133 5.479 13.799 15.613 1.00 30.34 H new ATOM 0 HB2 HIS A 133 4.650 12.318 13.094 1.00 32.44 H new ATOM 0 HB3 HIS A 133 3.520 12.990 14.252 1.00 32.44 H new ATOM 0 HD2 HIS A 133 6.513 14.614 12.168 1.00 61.41 H new ATOM 0 HE1 HIS A 133 3.156 17.194 12.105 1.00 50.54 H new ATOM 0 HE2 HIS A 133 5.539 16.861 11.299 1.00 14.41 H new ATOM 2264 N HIS A 134 5.037 11.747 17.050 1.00 4.02 N ATOM 2265 CA HIS A 134 4.952 10.610 17.999 1.00 11.53 C ATOM 2266 C HIS A 134 4.002 9.501 17.481 1.00 52.33 C ATOM 2267 O HIS A 134 2.768 9.693 17.528 1.00 73.44 O ATOM 2268 CB HIS A 134 4.515 11.119 19.411 1.00 63.12 C ATOM 2269 CG HIS A 134 4.376 10.040 20.463 1.00 32.34 C ATOM 2270 ND1 HIS A 134 5.426 9.624 21.241 1.00 21.41 N ATOM 2271 CD2 HIS A 134 3.317 9.275 20.835 1.00 12.11 C ATOM 2272 CE1 HIS A 134 5.026 8.669 22.050 1.00 65.51 C ATOM 2273 NE2 HIS A 134 3.751 8.435 21.826 1.00 4.15 N ATOM 2274 OXT HIS A 134 4.499 8.457 17.002 1.00 37.90 O ATOM 0 H HIS A 134 4.879 12.651 17.496 1.00 4.02 H new ATOM 0 HA HIS A 134 5.943 10.164 18.083 1.00 11.53 H new ATOM 0 HB2 HIS A 134 5.243 11.853 19.758 1.00 63.12 H new ATOM 0 HB3 HIS A 134 3.561 11.637 19.315 1.00 63.12 H new ATOM 0 HD2 HIS A 134 2.319 9.321 20.426 1.00 12.11 H new ATOM 0 HE1 HIS A 134 5.641 8.161 22.778 1.00 65.51 H new ATOM 0 HE2 HIS A 134 3.180 7.742 22.310 1.00 4.15 H new TER 2283 HIS A 134