USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1082 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 102 THR OG1 : rot -73:sc= 0.537 USER MOD Set 1.2: A 111 ASN :FLIP amide:sc= 0.209 F(o=0,f=0.75) USER MOD Set 2.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 81 THR OG1 : rot 141:sc= 1.1 USER MOD Set 3.2: A 93 THR OG1 : rot -110:sc= 0 USER MOD Set 4.1: A 73 THR OG1 : rot -60:sc= 0.229 USER MOD Set 4.2: A 75 THR OG1 : rot -33:sc= 0.102 USER MOD Set 5.1: A 47 HIS : no HE2:sc= -0.011 X(o=-0.011,f=-0.027) USER MOD Set 5.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 49 LYS NZ :NH3+ -166:sc= 0.479 (180deg=0) USER MOD Set 6.2: A 60 GLN : amide:sc= 0.442 K(o=0.92,f=-1.2) USER MOD Set 7.1: A 8 GLN : amide:sc= 0.571 K(o=0.88,f=-0.001) USER MOD Set 7.2: A 36 LYS NZ :NH3+ 146:sc= 0.309 (180deg=0) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.297 (180deg=-0.662) USER MOD Single : A 2 SER OG : rot 104:sc= 0.0434 USER MOD Single : A 4 SER OG : rot 24:sc= 0.265 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A -2 HIS : no HE2:sc= 0.779 K(o=0.78,f=-2.4!) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -4 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -7 HIS : no HD1:sc=-0.00475 X(o=-0.0048,f=-0.0069) USER MOD Single : A -7 HIS N :NH3+ 165:sc=-0.00343 (180deg=-0.234) USER MOD Single : A 10 GLN : amide:sc=-0.00488 X(o=-0.0049,f=-0.16) USER MOD Single : A 11 SER OG : rot 180:sc= -0.434 USER MOD Single : A 12 GLN : amide:sc= -0.0911 K(o=-0.091,f=-0.68) USER MOD Single : A 14 ASN : amide:sc= 0.796 K(o=0.8,f=-0.59) USER MOD Single : A 19 MET CE :methyl -153:sc= -0.0669 (180deg=-0.252) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.772 K(o=0.77,f=-0.84) USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= 0.965 (180deg=0.639) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= 0.403 (180deg=0.223) USER MOD Single : A 39 SER OG : rot 34:sc= 0.336 USER MOD Single : A 43 GLN : amide:sc= 0.218 K(o=0.22,f=-2.8!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 46 LYS NZ :NH3+ 165:sc=-0.00655 (180deg=-0.161) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 140:sc= 0.559 (180deg=-0.0155) USER MOD Single : A 61 ASN : amide:sc= 0.729 K(o=0.73,f=-5.9!) USER MOD Single : A 69 CYS SG : rot 14:sc= -0.248 USER MOD Single : A 74 MET CE :methyl 179:sc= 0 (180deg=-0.00225) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0145 X(o=-0.015,f=-0.47) USER MOD Single : A 89 ASN : amide:sc= -0.0315 X(o=-0.032,f=-0.11) USER MOD Single : A 90 LYS NZ :NH3+ -152:sc= 1.1 (180deg=0.647) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 135:sc= 0.773 (180deg=0.0329) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -175:sc= 0.743 (180deg=0.696) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -169:sc= 0.668 (180deg=0.547) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -7 4.146 -22.024 16.362 1.00 53.54 N ATOM 2 CA HIS A -7 2.761 -22.482 15.997 1.00 73.55 C ATOM 3 C HIS A -7 2.908 -23.305 14.681 1.00 35.32 C ATOM 4 O HIS A -7 1.996 -23.262 13.853 1.00 32.42 O ATOM 5 CB HIS A -7 1.796 -21.272 15.867 1.00 14.45 C ATOM 6 CG HIS A -7 2.268 -20.150 14.962 1.00 61.54 C ATOM 7 ND1 HIS A -7 2.838 -18.985 15.453 1.00 44.13 N ATOM 8 CD2 HIS A -7 2.254 -20.003 13.590 1.00 52.03 C ATOM 9 CE1 HIS A -7 3.151 -18.225 14.401 1.00 12.44 C ATOM 10 NE2 HIS A -7 2.833 -18.781 13.239 1.00 53.30 N ATOM 0 H1 HIS A -7 4.085 -21.270 17.076 1.00 53.54 H new ATOM 0 H2 HIS A -7 4.686 -22.824 16.749 1.00 53.54 H new ATOM 0 H3 HIS A -7 4.626 -21.660 15.514 1.00 53.54 H new ATOM 0 HA HIS A -7 2.316 -23.109 16.770 1.00 73.55 H new ATOM 0 HB2 HIS A -7 0.837 -21.634 15.497 1.00 14.45 H new ATOM 0 HB3 HIS A -7 1.620 -20.862 16.862 1.00 14.45 H new ATOM 0 HD2 HIS A -7 1.855 -20.724 12.892 1.00 52.03 H new ATOM 0 HE1 HIS A -7 3.617 -17.254 14.487 1.00 12.44 H new ATOM 0 HE2 HIS A -7 2.978 -18.403 12.303 1.00 53.30 H new ATOM 18 N HIS A -6 3.996 -24.095 14.521 1.00 53.05 N ATOM 19 CA HIS A -6 4.280 -24.970 13.372 1.00 35.03 C ATOM 20 C HIS A -6 4.319 -24.209 12.026 1.00 24.41 C ATOM 21 O HIS A -6 4.515 -22.993 12.023 1.00 34.34 O ATOM 22 CB HIS A -6 3.310 -26.181 13.387 1.00 51.31 C ATOM 23 CG HIS A -6 3.227 -26.869 14.730 1.00 14.31 C ATOM 24 ND1 HIS A -6 4.245 -27.663 15.232 1.00 73.41 N ATOM 25 CD2 HIS A -6 2.258 -26.846 15.710 1.00 23.21 C ATOM 26 CE1 HIS A -6 3.869 -28.061 16.450 1.00 72.24 C ATOM 27 NE2 HIS A -6 2.677 -27.599 16.808 1.00 72.33 N ATOM 0 H HIS A -6 4.731 -24.137 15.227 1.00 53.05 H new ATOM 0 HA HIS A -6 5.292 -25.361 13.474 1.00 35.03 H new ATOM 0 HB2 HIS A -6 2.315 -25.843 13.098 1.00 51.31 H new ATOM 0 HB3 HIS A -6 3.631 -26.903 12.637 1.00 51.31 H new ATOM 0 HD2 HIS A -6 1.315 -26.323 15.639 1.00 23.21 H new ATOM 0 HE1 HIS A -6 4.474 -28.695 17.081 1.00 72.24 H new ATOM 0 HE2 HIS A -6 2.181 -27.758 17.685 1.00 72.33 H new ATOM 35 N HIS A -5 4.137 -24.927 10.906 1.00 50.43 N ATOM 36 CA HIS A -5 3.971 -24.327 9.578 1.00 55.13 C ATOM 37 C HIS A -5 2.554 -23.770 9.346 1.00 13.31 C ATOM 38 O HIS A -5 2.402 -22.899 8.490 1.00 52.24 O ATOM 39 CB HIS A -5 4.360 -25.351 8.492 1.00 1.34 C ATOM 40 CG HIS A -5 5.828 -25.713 8.464 1.00 10.41 C ATOM 41 ND1 HIS A -5 6.305 -26.843 7.820 1.00 13.43 N ATOM 42 CD2 HIS A -5 6.943 -25.097 8.994 1.00 10.01 C ATOM 43 CE1 HIS A -5 7.630 -26.863 7.983 1.00 62.12 C ATOM 44 NE2 HIS A -5 8.088 -25.836 8.687 1.00 1.30 N ATOM 0 H HIS A -5 4.101 -25.946 10.900 1.00 50.43 H new ATOM 0 HA HIS A -5 4.640 -23.469 9.517 1.00 55.13 H new ATOM 0 HB2 HIS A -5 3.778 -26.260 8.644 1.00 1.34 H new ATOM 0 HB3 HIS A -5 4.079 -24.952 7.517 1.00 1.34 H new ATOM 0 HD2 HIS A -5 6.932 -24.179 9.562 1.00 10.01 H new ATOM 0 HE1 HIS A -5 8.266 -27.638 7.582 1.00 62.12 H new ATOM 0 HE2 HIS A -5 9.054 -25.633 8.945 1.00 1.30 H new ATOM 52 N HIS A -4 1.554 -24.259 10.110 1.00 5.50 N ATOM 53 CA HIS A -4 0.149 -23.822 10.104 1.00 1.40 C ATOM 54 C HIS A -4 -0.529 -23.940 8.715 1.00 2.12 C ATOM 55 O HIS A -4 -1.372 -23.113 8.374 1.00 34.13 O ATOM 56 CB HIS A -4 0.051 -22.406 10.729 1.00 34.44 C ATOM 57 CG HIS A -4 -1.346 -21.923 11.041 1.00 60.11 C ATOM 58 ND1 HIS A -4 -1.840 -20.720 10.567 1.00 43.31 N ATOM 59 CD2 HIS A -4 -2.377 -22.488 11.760 1.00 2.15 C ATOM 60 CE1 HIS A -4 -3.104 -20.619 10.986 1.00 64.34 C ATOM 61 NE2 HIS A -4 -3.497 -21.654 11.719 1.00 55.02 N ATOM 0 H HIS A -4 1.718 -25.009 10.782 1.00 5.50 H new ATOM 0 HA HIS A -4 -0.428 -24.508 10.725 1.00 1.40 H new ATOM 0 HB2 HIS A -4 0.634 -22.394 11.650 1.00 34.44 H new ATOM 0 HB3 HIS A -4 0.518 -21.695 10.047 1.00 34.44 H new ATOM 0 HD2 HIS A -4 -2.327 -23.434 12.278 1.00 2.15 H new ATOM 0 HE1 HIS A -4 -3.742 -19.780 10.752 1.00 64.34 H new ATOM 0 HE2 HIS A -4 -4.408 -21.805 12.153 1.00 55.02 H new ATOM 69 N HIS A -3 -0.111 -24.951 7.925 1.00 31.43 N ATOM 70 CA HIS A -3 -0.404 -25.124 6.497 1.00 62.02 C ATOM 71 C HIS A -3 0.138 -23.931 5.684 1.00 24.05 C ATOM 72 O HIS A -3 -0.588 -22.960 5.471 1.00 33.32 O ATOM 73 CB HIS A -3 -1.913 -25.389 6.257 1.00 13.35 C ATOM 74 CG HIS A -3 -2.297 -25.659 4.820 1.00 62.32 C ATOM 75 ND1 HIS A -3 -2.242 -26.916 4.243 1.00 40.41 N ATOM 76 CD2 HIS A -3 -2.767 -24.821 3.831 1.00 42.41 C ATOM 77 CE1 HIS A -3 -2.654 -26.789 2.978 1.00 21.53 C ATOM 78 NE2 HIS A -3 -2.986 -25.544 2.657 1.00 24.14 N ATOM 0 H HIS A -3 0.470 -25.705 8.291 1.00 31.43 H new ATOM 0 HA HIS A -3 0.116 -26.012 6.139 1.00 62.02 H new ATOM 0 HB2 HIS A -3 -2.217 -26.242 6.864 1.00 13.35 H new ATOM 0 HB3 HIS A -3 -2.478 -24.527 6.612 1.00 13.35 H new ATOM 0 HD2 HIS A -3 -2.940 -23.761 3.947 1.00 42.41 H new ATOM 0 HE1 HIS A -3 -2.711 -27.616 2.286 1.00 21.53 H new ATOM 0 HE2 HIS A -3 -3.323 -25.196 1.759 1.00 24.14 H new ATOM 86 N HIS A -2 1.413 -24.020 5.263 1.00 21.35 N ATOM 87 CA HIS A -2 2.068 -23.030 4.400 1.00 55.22 C ATOM 88 C HIS A -2 1.374 -22.910 3.030 1.00 65.41 C ATOM 89 O HIS A -2 1.038 -23.930 2.426 1.00 24.41 O ATOM 90 CB HIS A -2 3.570 -23.377 4.245 1.00 73.10 C ATOM 91 CG HIS A -2 4.517 -22.551 5.084 1.00 43.54 C ATOM 92 ND1 HIS A -2 4.270 -22.203 6.402 1.00 70.30 N ATOM 93 CD2 HIS A -2 5.725 -21.965 4.776 1.00 25.05 C ATOM 94 CE1 HIS A -2 5.298 -21.461 6.818 1.00 11.32 C ATOM 95 NE2 HIS A -2 6.222 -21.275 5.884 1.00 4.13 N ATOM 0 H HIS A -2 2.024 -24.796 5.519 1.00 21.35 H new ATOM 0 HA HIS A -2 1.982 -22.054 4.877 1.00 55.22 H new ATOM 0 HB2 HIS A -2 3.710 -24.428 4.498 1.00 73.10 H new ATOM 0 HB3 HIS A -2 3.846 -23.262 3.197 1.00 73.10 H new ATOM 0 HD1 HIS A -2 3.453 -22.466 6.953 1.00 70.30 H new ATOM 0 HD2 HIS A -2 6.217 -22.030 3.817 1.00 25.05 H new ATOM 0 HE1 HIS A -2 5.371 -21.053 7.815 1.00 11.32 H new ATOM 103 N VAL A -1 1.181 -21.659 2.586 1.00 10.11 N ATOM 104 CA VAL A -1 0.496 -21.300 1.347 1.00 42.51 C ATOM 105 C VAL A -1 1.453 -20.481 0.462 1.00 22.22 C ATOM 106 O VAL A -1 2.184 -19.629 0.971 1.00 4.13 O ATOM 107 CB VAL A -1 -0.782 -20.457 1.654 1.00 30.15 C ATOM 108 CG1 VAL A -1 -1.455 -19.806 0.428 1.00 3.44 C ATOM 109 CG2 VAL A -1 -1.826 -21.294 2.417 1.00 3.34 C ATOM 0 H VAL A -1 1.512 -20.844 3.103 1.00 10.11 H new ATOM 0 HA VAL A -1 0.196 -22.211 0.829 1.00 42.51 H new ATOM 0 HB VAL A -1 -0.415 -19.636 2.270 1.00 30.15 H new ATOM 0 HG11 VAL A -1 -2.332 -19.244 0.750 1.00 3.44 H new ATOM 0 HG12 VAL A -1 -0.750 -19.132 -0.058 1.00 3.44 H new ATOM 0 HG13 VAL A -1 -1.759 -20.582 -0.275 1.00 3.44 H new ATOM 0 HG21 VAL A -1 -2.706 -20.683 2.618 1.00 3.34 H new ATOM 0 HG22 VAL A -1 -2.113 -22.156 1.814 1.00 3.34 H new ATOM 0 HG23 VAL A -1 -1.399 -21.637 3.360 1.00 3.34 H new ATOM 119 N ALA A 0 1.419 -20.760 -0.852 1.00 63.02 N ATOM 120 CA ALA A 0 2.189 -20.048 -1.871 1.00 75.14 C ATOM 121 C ALA A 0 1.468 -18.771 -2.322 1.00 52.10 C ATOM 122 O ALA A 0 0.238 -18.736 -2.361 1.00 75.20 O ATOM 123 CB ALA A 0 2.414 -20.984 -3.067 1.00 24.12 C ATOM 0 H ALA A 0 0.840 -21.506 -1.238 1.00 63.02 H new ATOM 0 HA ALA A 0 3.148 -19.750 -1.447 1.00 75.14 H new ATOM 0 HB1 ALA A 0 2.988 -20.463 -3.834 1.00 24.12 H new ATOM 0 HB2 ALA A 0 2.963 -21.867 -2.740 1.00 24.12 H new ATOM 0 HB3 ALA A 0 1.451 -21.287 -3.478 1.00 24.12 H new ATOM 129 N MET A 1 2.270 -17.753 -2.675 1.00 5.35 N ATOM 130 CA MET A 1 1.835 -16.417 -3.100 1.00 75.43 C ATOM 131 C MET A 1 1.102 -15.647 -1.982 1.00 42.13 C ATOM 132 O MET A 1 0.160 -14.900 -2.254 1.00 51.24 O ATOM 133 CB MET A 1 1.057 -16.452 -4.443 1.00 62.32 C ATOM 134 CG MET A 1 1.732 -17.237 -5.591 1.00 43.24 C ATOM 135 SD MET A 1 2.784 -16.319 -6.756 1.00 51.02 S ATOM 136 CE MET A 1 3.961 -15.473 -5.674 1.00 72.33 C ATOM 0 H MET A 1 3.286 -17.846 -2.671 1.00 5.35 H new ATOM 0 HA MET A 1 2.739 -15.841 -3.298 1.00 75.43 H new ATOM 0 HB2 MET A 1 0.074 -16.886 -4.260 1.00 62.32 H new ATOM 0 HB3 MET A 1 0.896 -15.426 -4.775 1.00 62.32 H new ATOM 0 HG2 MET A 1 2.338 -18.025 -5.144 1.00 43.24 H new ATOM 0 HG3 MET A 1 0.947 -17.727 -6.166 1.00 43.24 H new ATOM 0 HE1 MET A 1 4.782 -15.075 -6.270 1.00 72.33 H new ATOM 0 HE2 MET A 1 3.458 -14.655 -5.158 1.00 72.33 H new ATOM 0 HE3 MET A 1 4.353 -16.178 -4.941 1.00 72.33 H new ATOM 146 N SER A 2 1.587 -15.827 -0.744 1.00 23.44 N ATOM 147 CA SER A 2 1.169 -15.067 0.426 1.00 34.33 C ATOM 148 C SER A 2 1.893 -13.715 0.459 1.00 60.43 C ATOM 149 O SER A 2 3.106 -13.680 0.243 1.00 70.02 O ATOM 150 CB SER A 2 1.479 -15.878 1.699 1.00 73.21 C ATOM 151 OG SER A 2 0.556 -16.936 1.843 1.00 2.05 O ATOM 0 H SER A 2 2.299 -16.526 -0.532 1.00 23.44 H new ATOM 0 HA SER A 2 0.096 -14.881 0.376 1.00 34.33 H new ATOM 0 HB2 SER A 2 2.493 -16.275 1.647 1.00 73.21 H new ATOM 0 HB3 SER A 2 1.436 -15.227 2.572 1.00 73.21 H new ATOM 0 HG SER A 2 0.985 -17.781 1.593 1.00 2.05 H new ATOM 157 N PHE A 3 1.149 -12.636 0.757 1.00 23.45 N ATOM 158 CA PHE A 3 1.687 -11.279 0.910 1.00 2.14 C ATOM 159 C PHE A 3 2.316 -11.153 2.315 1.00 52.53 C ATOM 160 O PHE A 3 1.755 -10.492 3.186 1.00 51.21 O ATOM 161 CB PHE A 3 0.577 -10.216 0.716 1.00 34.04 C ATOM 162 CG PHE A 3 -0.230 -10.191 -0.576 1.00 74.30 C ATOM 163 CD1 PHE A 3 -0.164 -9.072 -1.436 1.00 13.25 C ATOM 164 CD2 PHE A 3 -1.130 -11.234 -0.881 1.00 40.41 C ATOM 165 CE1 PHE A 3 -1.024 -8.984 -2.523 1.00 52.23 C ATOM 166 CE2 PHE A 3 -1.985 -11.126 -1.965 1.00 22.04 C ATOM 167 CZ PHE A 3 -1.948 -9.992 -2.762 1.00 64.41 C ATOM 0 H PHE A 3 0.140 -12.686 0.900 1.00 23.45 H new ATOM 0 HA PHE A 3 2.445 -11.103 0.147 1.00 2.14 H new ATOM 0 HB2 PHE A 3 -0.129 -10.330 1.538 1.00 34.04 H new ATOM 0 HB3 PHE A 3 1.042 -9.236 0.828 1.00 34.04 H new ATOM 0 HD1 PHE A 3 0.554 -8.287 -1.249 1.00 13.25 H new ATOM 0 HD2 PHE A 3 -1.152 -12.121 -0.266 1.00 40.41 H new ATOM 0 HE1 PHE A 3 -0.974 -8.131 -3.183 1.00 52.23 H new ATOM 0 HE2 PHE A 3 -2.679 -11.923 -2.189 1.00 22.04 H new ATOM 0 HZ PHE A 3 -2.647 -9.892 -3.579 1.00 64.41 H new ATOM 177 N SER A 4 3.439 -11.850 2.529 1.00 22.24 N ATOM 178 CA SER A 4 4.086 -12.010 3.824 1.00 22.20 C ATOM 179 C SER A 4 5.597 -11.806 3.658 1.00 22.44 C ATOM 180 O SER A 4 6.260 -12.625 3.019 1.00 34.43 O ATOM 181 CB SER A 4 3.669 -13.364 4.444 1.00 73.43 C ATOM 182 OG SER A 4 4.093 -14.475 3.678 1.00 61.14 O ATOM 0 H SER A 4 3.933 -12.331 1.777 1.00 22.24 H new ATOM 0 HA SER A 4 3.761 -11.253 4.538 1.00 22.20 H new ATOM 0 HB2 SER A 4 4.086 -13.441 5.448 1.00 73.43 H new ATOM 0 HB3 SER A 4 2.584 -13.392 4.546 1.00 73.43 H new ATOM 0 HG SER A 4 4.871 -14.222 3.138 1.00 61.14 H new ATOM 188 N GLY A 5 6.104 -10.699 4.221 1.00 55.21 N ATOM 189 CA GLY A 5 7.507 -10.315 4.105 1.00 62.30 C ATOM 190 C GLY A 5 7.661 -8.808 4.336 1.00 12.11 C ATOM 191 O GLY A 5 6.718 -8.116 4.726 1.00 5.45 O ATOM 0 H GLY A 5 5.545 -10.046 4.771 1.00 55.21 H new ATOM 0 HA2 GLY A 5 8.104 -10.865 4.832 1.00 62.30 H new ATOM 0 HA3 GLY A 5 7.884 -10.580 3.117 1.00 62.30 H new ATOM 195 N LYS A 6 8.887 -8.319 4.092 1.00 62.03 N ATOM 196 CA LYS A 6 9.289 -6.926 4.278 1.00 45.11 C ATOM 197 C LYS A 6 9.889 -6.412 2.961 1.00 1.54 C ATOM 198 O LYS A 6 10.652 -7.142 2.327 1.00 41.23 O ATOM 199 CB LYS A 6 10.315 -6.862 5.430 1.00 53.32 C ATOM 200 CG LYS A 6 10.224 -5.552 6.221 1.00 72.05 C ATOM 201 CD LYS A 6 11.307 -5.409 7.295 1.00 60.24 C ATOM 202 CE LYS A 6 10.961 -4.313 8.311 1.00 31.03 C ATOM 203 NZ LYS A 6 12.079 -4.047 9.228 1.00 25.41 N1+ ATOM 0 H LYS A 6 9.647 -8.906 3.749 1.00 62.03 H new ATOM 0 HA LYS A 6 8.438 -6.297 4.538 1.00 45.11 H new ATOM 0 HB2 LYS A 6 10.153 -7.703 6.105 1.00 53.32 H new ATOM 0 HB3 LYS A 6 11.321 -6.969 5.024 1.00 53.32 H new ATOM 0 HG2 LYS A 6 10.297 -4.713 5.529 1.00 72.05 H new ATOM 0 HG3 LYS A 6 9.244 -5.490 6.694 1.00 72.05 H new ATOM 0 HD2 LYS A 6 11.432 -6.359 7.814 1.00 60.24 H new ATOM 0 HD3 LYS A 6 12.261 -5.177 6.821 1.00 60.24 H new ATOM 0 HE2 LYS A 6 10.699 -3.397 7.782 1.00 31.03 H new ATOM 0 HE3 LYS A 6 10.084 -4.613 8.884 1.00 31.03 H new ATOM 0 HZ1 LYS A 6 11.807 -3.301 9.900 1.00 25.41 H new ATOM 0 HZ2 LYS A 6 12.313 -4.915 9.751 1.00 25.41 H new ATOM 0 HZ3 LYS A 6 12.909 -3.737 8.683 1.00 25.41 H new ATOM 217 N TYR A 7 9.514 -5.183 2.564 1.00 52.01 N ATOM 218 CA TYR A 7 9.765 -4.632 1.230 1.00 55.21 C ATOM 219 C TYR A 7 10.119 -3.140 1.343 1.00 73.55 C ATOM 220 O TYR A 7 9.297 -2.371 1.835 1.00 72.24 O ATOM 221 CB TYR A 7 8.512 -4.816 0.331 1.00 63.20 C ATOM 222 CG TYR A 7 7.769 -6.137 0.465 1.00 53.41 C ATOM 223 CD1 TYR A 7 6.700 -6.253 1.381 1.00 60.51 C ATOM 224 CD2 TYR A 7 8.148 -7.255 -0.307 1.00 23.35 C ATOM 225 CE1 TYR A 7 6.021 -7.478 1.526 1.00 40.33 C ATOM 226 CE2 TYR A 7 7.465 -8.478 -0.166 1.00 34.11 C ATOM 227 CZ TYR A 7 6.399 -8.589 0.749 1.00 61.45 C ATOM 228 OH TYR A 7 5.723 -9.766 0.879 1.00 53.42 O ATOM 0 H TYR A 7 9.018 -4.536 3.177 1.00 52.01 H new ATOM 0 HA TYR A 7 10.601 -5.164 0.777 1.00 55.21 H new ATOM 0 HB2 TYR A 7 7.814 -4.008 0.549 1.00 63.20 H new ATOM 0 HB3 TYR A 7 8.818 -4.701 -0.709 1.00 63.20 H new ATOM 0 HD1 TYR A 7 6.403 -5.399 1.972 1.00 60.51 H new ATOM 0 HD2 TYR A 7 8.965 -7.173 -1.009 1.00 23.35 H new ATOM 0 HE1 TYR A 7 5.210 -7.565 2.234 1.00 40.33 H new ATOM 0 HE2 TYR A 7 7.758 -9.331 -0.759 1.00 34.11 H new ATOM 0 HH TYR A 7 6.107 -10.433 0.272 1.00 53.42 H new ATOM 238 N GLN A 8 11.303 -2.736 0.855 1.00 1.02 N ATOM 239 CA GLN A 8 11.692 -1.324 0.763 1.00 62.04 C ATOM 240 C GLN A 8 11.096 -0.695 -0.506 1.00 10.20 C ATOM 241 O GLN A 8 11.060 -1.355 -1.545 1.00 44.43 O ATOM 242 CB GLN A 8 13.232 -1.211 0.744 1.00 2.50 C ATOM 243 CG GLN A 8 13.771 0.235 0.857 1.00 63.23 C ATOM 244 CD GLN A 8 15.200 0.361 0.333 1.00 52.24 C ATOM 245 OE1 GLN A 8 16.149 -0.026 1.011 1.00 55.13 O ATOM 246 NE2 GLN A 8 15.356 0.928 -0.865 1.00 2.00 N ATOM 0 H GLN A 8 12.016 -3.381 0.514 1.00 1.02 H new ATOM 0 HA GLN A 8 11.307 -0.788 1.630 1.00 62.04 H new ATOM 0 HB2 GLN A 8 13.637 -1.801 1.566 1.00 2.50 H new ATOM 0 HB3 GLN A 8 13.605 -1.653 -0.180 1.00 2.50 H new ATOM 0 HG2 GLN A 8 13.120 0.908 0.298 1.00 63.23 H new ATOM 0 HG3 GLN A 8 13.739 0.552 1.899 1.00 63.23 H new ATOM 0 HE21 GLN A 8 14.540 1.235 -1.394 1.00 2.00 H new ATOM 0 HE22 GLN A 8 16.291 1.054 -1.251 1.00 2.00 H new ATOM 255 N LEU A 9 10.721 0.594 -0.404 1.00 0.12 N ATOM 256 CA LEU A 9 10.400 1.479 -1.525 1.00 63.33 C ATOM 257 C LEU A 9 11.571 1.564 -2.521 1.00 42.21 C ATOM 258 O LEU A 9 12.682 1.921 -2.125 1.00 34.12 O ATOM 259 CB LEU A 9 10.062 2.884 -0.967 1.00 4.51 C ATOM 260 CG LEU A 9 9.521 3.890 -2.013 1.00 14.33 C ATOM 261 CD1 LEU A 9 8.082 3.546 -2.442 1.00 40.25 C ATOM 262 CD2 LEU A 9 9.633 5.345 -1.513 1.00 73.22 C ATOM 0 H LEU A 9 10.632 1.060 0.499 1.00 0.12 H new ATOM 0 HA LEU A 9 9.543 1.076 -2.064 1.00 63.33 H new ATOM 0 HB2 LEU A 9 9.323 2.775 -0.173 1.00 4.51 H new ATOM 0 HB3 LEU A 9 10.959 3.303 -0.512 1.00 4.51 H new ATOM 0 HG LEU A 9 10.150 3.804 -2.899 1.00 14.33 H new ATOM 0 HD11 LEU A 9 7.737 4.274 -3.176 1.00 40.25 H new ATOM 0 HD12 LEU A 9 8.062 2.549 -2.882 1.00 40.25 H new ATOM 0 HD13 LEU A 9 7.427 3.571 -1.571 1.00 40.25 H new ATOM 0 HD21 LEU A 9 9.244 6.022 -2.273 1.00 73.22 H new ATOM 0 HD22 LEU A 9 9.056 5.460 -0.595 1.00 73.22 H new ATOM 0 HD23 LEU A 9 10.678 5.583 -1.316 1.00 73.22 H new ATOM 274 N GLN A 10 11.285 1.250 -3.792 1.00 32.14 N ATOM 275 CA GLN A 10 12.218 1.410 -4.904 1.00 23.51 C ATOM 276 C GLN A 10 11.986 2.764 -5.584 1.00 33.04 C ATOM 277 O GLN A 10 12.947 3.503 -5.795 1.00 11.12 O ATOM 278 CB GLN A 10 12.035 0.254 -5.916 1.00 41.22 C ATOM 279 CG GLN A 10 12.260 -1.156 -5.336 1.00 70.53 C ATOM 280 CD GLN A 10 13.639 -1.333 -4.697 1.00 21.25 C ATOM 281 OE1 GLN A 10 14.651 -1.345 -5.393 1.00 54.04 O ATOM 282 NE2 GLN A 10 13.682 -1.488 -3.372 1.00 41.31 N ATOM 0 H GLN A 10 10.381 0.871 -4.076 1.00 32.14 H new ATOM 0 HA GLN A 10 13.240 1.380 -4.526 1.00 23.51 H new ATOM 0 HB2 GLN A 10 11.027 0.306 -6.326 1.00 41.22 H new ATOM 0 HB3 GLN A 10 12.725 0.404 -6.746 1.00 41.22 H new ATOM 0 HG2 GLN A 10 11.492 -1.362 -4.590 1.00 70.53 H new ATOM 0 HG3 GLN A 10 12.138 -1.892 -6.130 1.00 70.53 H new ATOM 0 HE21 GLN A 10 12.819 -1.472 -2.828 1.00 41.31 H new ATOM 0 HE22 GLN A 10 14.578 -1.622 -2.903 1.00 41.31 H new ATOM 291 N SER A 11 10.716 3.057 -5.902 1.00 22.42 N ATOM 292 CA SER A 11 10.285 4.245 -6.634 1.00 54.22 C ATOM 293 C SER A 11 8.768 4.452 -6.484 1.00 43.15 C ATOM 294 O SER A 11 8.068 3.593 -5.945 1.00 65.41 O ATOM 295 CB SER A 11 10.753 4.154 -8.109 1.00 55.50 C ATOM 296 OG SER A 11 10.124 3.102 -8.815 1.00 21.52 O ATOM 0 H SER A 11 9.938 2.449 -5.645 1.00 22.42 H new ATOM 0 HA SER A 11 10.753 5.133 -6.209 1.00 54.22 H new ATOM 0 HB2 SER A 11 10.545 5.099 -8.611 1.00 55.50 H new ATOM 0 HB3 SER A 11 11.833 4.010 -8.135 1.00 55.50 H new ATOM 0 HG SER A 11 10.450 3.087 -9.739 1.00 21.52 H new ATOM 302 N GLN A 12 8.293 5.609 -6.970 1.00 52.11 N ATOM 303 CA GLN A 12 6.892 6.024 -6.936 1.00 10.15 C ATOM 304 C GLN A 12 6.646 7.151 -7.954 1.00 32.44 C ATOM 305 O GLN A 12 7.545 7.954 -8.209 1.00 14.54 O ATOM 306 CB GLN A 12 6.456 6.376 -5.490 1.00 74.31 C ATOM 307 CG GLN A 12 7.336 7.427 -4.770 1.00 73.50 C ATOM 308 CD GLN A 12 7.051 7.542 -3.269 1.00 72.40 C ATOM 309 OE1 GLN A 12 6.074 6.999 -2.759 1.00 42.42 O ATOM 310 NE2 GLN A 12 7.908 8.269 -2.550 1.00 0.03 N ATOM 0 H GLN A 12 8.898 6.301 -7.411 1.00 52.11 H new ATOM 0 HA GLN A 12 6.256 5.193 -7.240 1.00 10.15 H new ATOM 0 HB2 GLN A 12 5.430 6.743 -5.517 1.00 74.31 H new ATOM 0 HB3 GLN A 12 6.452 5.462 -4.897 1.00 74.31 H new ATOM 0 HG2 GLN A 12 8.385 7.169 -4.913 1.00 73.50 H new ATOM 0 HG3 GLN A 12 7.180 8.400 -5.236 1.00 73.50 H new ATOM 0 HE21 GLN A 12 8.710 8.707 -3.003 1.00 0.03 H new ATOM 0 HE22 GLN A 12 7.761 8.386 -1.547 1.00 0.03 H new ATOM 319 N GLU A 13 5.431 7.165 -8.524 1.00 45.34 N ATOM 320 CA GLU A 13 4.977 8.073 -9.582 1.00 24.53 C ATOM 321 C GLU A 13 3.691 8.783 -9.146 1.00 22.40 C ATOM 322 O GLU A 13 2.837 8.160 -8.517 1.00 5.02 O ATOM 323 CB GLU A 13 4.695 7.265 -10.864 1.00 33.31 C ATOM 324 CG GLU A 13 5.957 6.763 -11.579 1.00 43.25 C ATOM 325 CD GLU A 13 5.597 5.855 -12.754 1.00 23.35 C ATOM 326 OE1 GLU A 13 5.159 6.396 -13.792 1.00 25.34 O ATOM 327 OE2 GLU A 13 5.753 4.625 -12.582 1.00 32.21 O1- ATOM 0 H GLU A 13 4.703 6.508 -8.243 1.00 45.34 H new ATOM 0 HA GLU A 13 5.753 8.814 -9.772 1.00 24.53 H new ATOM 0 HB2 GLU A 13 4.069 6.409 -10.611 1.00 33.31 H new ATOM 0 HB3 GLU A 13 4.123 7.886 -11.553 1.00 33.31 H new ATOM 0 HG2 GLU A 13 6.539 7.613 -11.936 1.00 43.25 H new ATOM 0 HG3 GLU A 13 6.586 6.219 -10.874 1.00 43.25 H new ATOM 334 N ASN A 14 3.581 10.075 -9.515 1.00 13.20 N ATOM 335 CA ASN A 14 2.499 11.012 -9.159 1.00 14.42 C ATOM 336 C ASN A 14 2.330 11.176 -7.633 1.00 73.35 C ATOM 337 O ASN A 14 1.220 11.442 -7.168 1.00 12.12 O ATOM 338 CB ASN A 14 1.171 10.646 -9.881 1.00 70.55 C ATOM 339 CG ASN A 14 1.221 10.818 -11.404 1.00 40.33 C ATOM 340 OD1 ASN A 14 1.868 11.729 -11.915 1.00 23.25 O ATOM 341 ND2 ASN A 14 0.508 9.962 -12.137 1.00 12.33 N ATOM 0 H ASN A 14 4.287 10.517 -10.104 1.00 13.20 H new ATOM 0 HA ASN A 14 2.795 11.996 -9.523 1.00 14.42 H new ATOM 0 HB2 ASN A 14 0.917 9.611 -9.651 1.00 70.55 H new ATOM 0 HB3 ASN A 14 0.369 11.267 -9.482 1.00 70.55 H new ATOM 0 HD21 ASN A 14 0.489 10.053 -13.153 1.00 12.33 H new ATOM 0 HD22 ASN A 14 -0.018 9.216 -11.682 1.00 12.33 H new ATOM 348 N PHE A 15 3.439 11.026 -6.887 1.00 42.24 N ATOM 349 CA PHE A 15 3.503 11.143 -5.432 1.00 12.22 C ATOM 350 C PHE A 15 3.074 12.521 -4.918 1.00 44.34 C ATOM 351 O PHE A 15 2.235 12.588 -4.025 1.00 11.34 O ATOM 352 CB PHE A 15 4.906 10.727 -4.930 1.00 35.14 C ATOM 353 CG PHE A 15 5.160 10.934 -3.445 1.00 0.45 C ATOM 354 CD1 PHE A 15 4.746 9.963 -2.509 1.00 63.43 C ATOM 355 CD2 PHE A 15 5.640 12.173 -2.971 1.00 61.51 C ATOM 356 CE1 PHE A 15 4.907 10.192 -1.149 1.00 31.02 C ATOM 357 CE2 PHE A 15 5.759 12.394 -1.608 1.00 10.43 C ATOM 358 CZ PHE A 15 5.417 11.403 -0.701 1.00 3.43 C ATOM 0 H PHE A 15 4.345 10.812 -7.303 1.00 42.24 H new ATOM 0 HA PHE A 15 2.772 10.453 -5.011 1.00 12.22 H new ATOM 0 HB2 PHE A 15 5.058 9.673 -5.163 1.00 35.14 H new ATOM 0 HB3 PHE A 15 5.654 11.288 -5.490 1.00 35.14 H new ATOM 0 HD1 PHE A 15 4.303 9.039 -2.851 1.00 63.43 H new ATOM 0 HD2 PHE A 15 5.915 12.949 -3.670 1.00 61.51 H new ATOM 0 HE1 PHE A 15 4.635 9.426 -0.438 1.00 31.02 H new ATOM 0 HE2 PHE A 15 6.121 13.346 -1.250 1.00 10.43 H new ATOM 0 HZ PHE A 15 5.548 11.574 0.357 1.00 3.43 H new ATOM 368 N GLU A 16 3.652 13.581 -5.505 1.00 1.55 N ATOM 369 CA GLU A 16 3.410 14.964 -5.105 1.00 11.22 C ATOM 370 C GLU A 16 1.978 15.436 -5.402 1.00 51.52 C ATOM 371 O GLU A 16 1.425 16.187 -4.602 1.00 62.13 O ATOM 372 CB GLU A 16 4.466 15.887 -5.744 1.00 73.44 C ATOM 373 CG GLU A 16 5.917 15.495 -5.386 1.00 44.03 C ATOM 374 CD GLU A 16 6.953 16.456 -5.968 1.00 73.15 C ATOM 375 OE1 GLU A 16 6.847 16.755 -7.176 1.00 1.33 O ATOM 376 OE2 GLU A 16 7.837 16.877 -5.190 1.00 53.41 O1- ATOM 0 H GLU A 16 4.308 13.493 -6.281 1.00 1.55 H new ATOM 0 HA GLU A 16 3.509 15.015 -4.021 1.00 11.22 H new ATOM 0 HB2 GLU A 16 4.348 15.867 -6.827 1.00 73.44 H new ATOM 0 HB3 GLU A 16 4.284 16.913 -5.423 1.00 73.44 H new ATOM 0 HG2 GLU A 16 6.023 15.467 -4.302 1.00 44.03 H new ATOM 0 HG3 GLU A 16 6.117 14.488 -5.752 1.00 44.03 H new ATOM 383 N ALA A 17 1.393 14.944 -6.508 1.00 1.05 N ATOM 384 CA ALA A 17 -0.002 15.167 -6.881 1.00 12.24 C ATOM 385 C ALA A 17 -0.994 14.457 -5.945 1.00 4.04 C ATOM 386 O ALA A 17 -2.013 15.053 -5.603 1.00 65.25 O ATOM 387 CB ALA A 17 -0.216 14.714 -8.335 1.00 32.13 C ATOM 0 H ALA A 17 1.897 14.366 -7.181 1.00 1.05 H new ATOM 0 HA ALA A 17 -0.202 16.234 -6.785 1.00 12.24 H new ATOM 0 HB1 ALA A 17 -1.256 14.878 -8.618 1.00 32.13 H new ATOM 0 HB2 ALA A 17 0.435 15.288 -8.994 1.00 32.13 H new ATOM 0 HB3 ALA A 17 0.021 13.654 -8.424 1.00 32.13 H new ATOM 393 N PHE A 18 -0.674 13.213 -5.550 1.00 52.01 N ATOM 394 CA PHE A 18 -1.518 12.359 -4.716 1.00 64.21 C ATOM 395 C PHE A 18 -1.487 12.719 -3.229 1.00 44.51 C ATOM 396 O PHE A 18 -2.544 12.741 -2.601 1.00 52.34 O ATOM 397 CB PHE A 18 -1.145 10.888 -4.953 1.00 12.02 C ATOM 398 CG PHE A 18 -1.941 9.873 -4.146 1.00 33.13 C ATOM 399 CD1 PHE A 18 -1.429 9.360 -2.935 1.00 2.05 C ATOM 400 CD2 PHE A 18 -3.258 9.544 -4.531 1.00 22.11 C ATOM 401 CE1 PHE A 18 -2.198 8.496 -2.169 1.00 10.12 C ATOM 402 CE2 PHE A 18 -4.010 8.674 -3.753 1.00 65.33 C ATOM 403 CZ PHE A 18 -3.480 8.152 -2.579 1.00 10.15 C ATOM 0 H PHE A 18 0.205 12.767 -5.813 1.00 52.01 H new ATOM 0 HA PHE A 18 -2.551 12.529 -5.020 1.00 64.21 H new ATOM 0 HB2 PHE A 18 -1.273 10.665 -6.012 1.00 12.02 H new ATOM 0 HB3 PHE A 18 -0.087 10.758 -4.725 1.00 12.02 H new ATOM 0 HD1 PHE A 18 -0.439 9.640 -2.605 1.00 2.05 H new ATOM 0 HD2 PHE A 18 -3.681 9.968 -5.430 1.00 22.11 H new ATOM 0 HE1 PHE A 18 -1.799 8.090 -1.251 1.00 10.12 H new ATOM 0 HE2 PHE A 18 -5.009 8.402 -4.061 1.00 65.33 H new ATOM 0 HZ PHE A 18 -4.070 7.473 -1.981 1.00 10.15 H new ATOM 413 N MET A 19 -0.286 13.001 -2.700 1.00 62.31 N ATOM 414 CA MET A 19 -0.086 13.404 -1.311 1.00 51.31 C ATOM 415 C MET A 19 -0.670 14.808 -1.028 1.00 14.44 C ATOM 416 O MET A 19 -1.091 15.069 0.096 1.00 65.41 O ATOM 417 CB MET A 19 1.406 13.271 -0.938 1.00 62.30 C ATOM 418 CG MET A 19 1.634 12.933 0.548 1.00 22.14 C ATOM 419 SD MET A 19 2.251 11.261 0.909 1.00 35.13 S ATOM 420 CE MET A 19 0.995 10.222 0.119 1.00 52.42 C ATOM 0 H MET A 19 0.580 12.953 -3.237 1.00 62.31 H new ATOM 0 HA MET A 19 -0.644 12.730 -0.661 1.00 51.31 H new ATOM 0 HB2 MET A 19 1.860 12.495 -1.554 1.00 62.30 H new ATOM 0 HB3 MET A 19 1.917 14.204 -1.174 1.00 62.30 H new ATOM 0 HG2 MET A 19 2.341 13.654 0.958 1.00 22.14 H new ATOM 0 HG3 MET A 19 0.692 13.072 1.079 1.00 22.14 H new ATOM 0 HE1 MET A 19 0.948 9.259 0.627 1.00 52.42 H new ATOM 0 HE2 MET A 19 0.024 10.713 0.182 1.00 52.42 H new ATOM 0 HE3 MET A 19 1.256 10.068 -0.928 1.00 52.42 H new ATOM 430 N LYS A 20 -0.757 15.653 -2.071 1.00 1.35 N ATOM 431 CA LYS A 20 -1.478 16.926 -2.069 1.00 40.15 C ATOM 432 C LYS A 20 -3.004 16.736 -2.190 1.00 62.15 C ATOM 433 O LYS A 20 -3.741 17.479 -1.544 1.00 53.14 O ATOM 434 CB LYS A 20 -0.903 17.812 -3.196 1.00 35.11 C ATOM 435 CG LYS A 20 -1.537 19.209 -3.362 1.00 52.34 C ATOM 436 CD LYS A 20 -2.315 19.380 -4.678 1.00 1.33 C ATOM 437 CE LYS A 20 -1.401 19.430 -5.916 1.00 34.32 C ATOM 438 NZ LYS A 20 -2.182 19.566 -7.155 1.00 60.21 N1+ ATOM 0 H LYS A 20 -0.310 15.456 -2.966 1.00 1.35 H new ATOM 0 HA LYS A 20 -1.331 17.423 -1.110 1.00 40.15 H new ATOM 0 HB2 LYS A 20 0.165 17.940 -3.018 1.00 35.11 H new ATOM 0 HB3 LYS A 20 -1.007 17.275 -4.139 1.00 35.11 H new ATOM 0 HG2 LYS A 20 -2.210 19.395 -2.525 1.00 52.34 H new ATOM 0 HG3 LYS A 20 -0.752 19.963 -3.313 1.00 52.34 H new ATOM 0 HD2 LYS A 20 -3.020 18.555 -4.787 1.00 1.33 H new ATOM 0 HD3 LYS A 20 -2.902 20.297 -4.630 1.00 1.33 H new ATOM 0 HE2 LYS A 20 -0.710 20.268 -5.826 1.00 34.32 H new ATOM 0 HE3 LYS A 20 -0.798 18.523 -5.962 1.00 34.32 H new ATOM 0 HZ1 LYS A 20 -1.537 19.597 -7.970 1.00 60.21 H new ATOM 0 HZ2 LYS A 20 -2.824 18.753 -7.252 1.00 60.21 H new ATOM 0 HZ3 LYS A 20 -2.738 20.444 -7.120 1.00 60.21 H new ATOM 452 N ALA A 21 -3.452 15.746 -2.988 1.00 12.13 N ATOM 453 CA ALA A 21 -4.870 15.432 -3.211 1.00 12.14 C ATOM 454 C ALA A 21 -5.597 14.855 -1.983 1.00 25.12 C ATOM 455 O ALA A 21 -6.810 15.034 -1.886 1.00 2.15 O ATOM 456 CB ALA A 21 -5.017 14.489 -4.414 1.00 42.34 C ATOM 0 H ALA A 21 -2.822 15.132 -3.504 1.00 12.13 H new ATOM 0 HA ALA A 21 -5.358 16.385 -3.415 1.00 12.14 H new ATOM 0 HB1 ALA A 21 -6.071 14.262 -4.572 1.00 42.34 H new ATOM 0 HB2 ALA A 21 -4.612 14.970 -5.305 1.00 42.34 H new ATOM 0 HB3 ALA A 21 -4.472 13.565 -4.221 1.00 42.34 H new ATOM 462 N ILE A 22 -4.857 14.208 -1.066 1.00 75.12 N ATOM 463 CA ILE A 22 -5.369 13.767 0.236 1.00 35.51 C ATOM 464 C ILE A 22 -5.243 14.857 1.324 1.00 73.45 C ATOM 465 O ILE A 22 -5.967 14.780 2.314 1.00 23.31 O ATOM 466 CB ILE A 22 -4.669 12.470 0.733 1.00 70.33 C ATOM 467 CG1 ILE A 22 -3.150 12.627 0.962 1.00 10.22 C ATOM 468 CG2 ILE A 22 -4.987 11.289 -0.206 1.00 12.01 C ATOM 469 CD1 ILE A 22 -2.481 11.390 1.568 1.00 1.15 C ATOM 0 H ILE A 22 -3.875 13.975 -1.213 1.00 75.12 H new ATOM 0 HA ILE A 22 -6.427 13.560 0.073 1.00 35.51 H new ATOM 0 HB ILE A 22 -5.083 12.256 1.718 1.00 70.33 H new ATOM 0 HG12 ILE A 22 -2.671 12.857 0.010 1.00 10.22 H new ATOM 0 HG13 ILE A 22 -2.978 13.479 1.619 1.00 10.22 H new ATOM 0 HG21 ILE A 22 -4.489 10.390 0.158 1.00 12.01 H new ATOM 0 HG22 ILE A 22 -6.064 11.122 -0.229 1.00 12.01 H new ATOM 0 HG23 ILE A 22 -4.634 11.518 -1.211 1.00 12.01 H new ATOM 0 HD11 ILE A 22 -1.415 11.579 1.698 1.00 1.15 H new ATOM 0 HD12 ILE A 22 -2.931 11.170 2.536 1.00 1.15 H new ATOM 0 HD13 ILE A 22 -2.619 10.538 0.902 1.00 1.15 H new ATOM 481 N GLY A 23 -4.381 15.866 1.110 1.00 70.33 N ATOM 482 CA GLY A 23 -4.290 17.044 1.969 1.00 22.51 C ATOM 483 C GLY A 23 -3.217 16.921 3.061 1.00 33.33 C ATOM 484 O GLY A 23 -3.375 17.550 4.107 1.00 32.51 O ATOM 0 H GLY A 23 -3.726 15.880 0.328 1.00 70.33 H new ATOM 0 HA2 GLY A 23 -4.073 17.917 1.354 1.00 22.51 H new ATOM 0 HA3 GLY A 23 -5.258 17.217 2.439 1.00 22.51 H new ATOM 488 N LEU A 24 -2.124 16.164 2.836 1.00 51.21 N ATOM 489 CA LEU A 24 -0.914 16.234 3.676 1.00 40.21 C ATOM 490 C LEU A 24 -0.196 17.585 3.450 1.00 64.14 C ATOM 491 O LEU A 24 -0.230 18.091 2.325 1.00 12.25 O ATOM 492 CB LEU A 24 0.046 15.057 3.355 1.00 21.34 C ATOM 493 CG LEU A 24 0.025 13.911 4.391 1.00 34.32 C ATOM 494 CD1 LEU A 24 -1.359 13.261 4.522 1.00 54.24 C ATOM 495 CD2 LEU A 24 1.133 12.875 4.117 1.00 73.21 C ATOM 0 H LEU A 24 -2.056 15.492 2.072 1.00 51.21 H new ATOM 0 HA LEU A 24 -1.211 16.157 4.722 1.00 40.21 H new ATOM 0 HB2 LEU A 24 -0.213 14.650 2.377 1.00 21.34 H new ATOM 0 HB3 LEU A 24 1.062 15.444 3.281 1.00 21.34 H new ATOM 0 HG LEU A 24 0.240 14.361 5.360 1.00 34.32 H new ATOM 0 HD11 LEU A 24 -1.317 12.462 5.263 1.00 54.24 H new ATOM 0 HD12 LEU A 24 -2.085 14.011 4.837 1.00 54.24 H new ATOM 0 HD13 LEU A 24 -1.659 12.848 3.559 1.00 54.24 H new ATOM 0 HD21 LEU A 24 1.086 12.085 4.866 1.00 73.21 H new ATOM 0 HD22 LEU A 24 0.991 12.444 3.126 1.00 73.21 H new ATOM 0 HD23 LEU A 24 2.107 13.362 4.165 1.00 73.21 H new ATOM 507 N PRO A 25 0.446 18.141 4.506 1.00 71.41 N ATOM 508 CA PRO A 25 1.158 19.430 4.417 1.00 32.11 C ATOM 509 C PRO A 25 2.340 19.377 3.438 1.00 31.01 C ATOM 510 O PRO A 25 3.057 18.379 3.404 1.00 43.43 O ATOM 511 CB PRO A 25 1.604 19.709 5.862 1.00 31.20 C ATOM 512 CG PRO A 25 1.704 18.340 6.509 1.00 71.02 C ATOM 513 CD PRO A 25 0.578 17.559 5.844 1.00 65.43 C ATOM 0 HA PRO A 25 0.527 20.225 4.020 1.00 32.11 H new ATOM 0 HB2 PRO A 25 2.562 20.229 5.887 1.00 31.20 H new ATOM 0 HB3 PRO A 25 0.885 20.341 6.383 1.00 31.20 H new ATOM 0 HG2 PRO A 25 2.675 17.879 6.329 1.00 71.02 H new ATOM 0 HG3 PRO A 25 1.573 18.395 7.590 1.00 71.02 H new ATOM 0 HD2 PRO A 25 0.814 16.496 5.790 1.00 65.43 H new ATOM 0 HD3 PRO A 25 -0.351 17.651 6.407 1.00 65.43 H new ATOM 521 N GLU A 26 2.473 20.444 2.636 1.00 4.45 N ATOM 522 CA GLU A 26 3.380 20.557 1.492 1.00 4.32 C ATOM 523 C GLU A 26 4.876 20.350 1.819 1.00 42.12 C ATOM 524 O GLU A 26 5.603 19.848 0.965 1.00 64.11 O ATOM 525 CB GLU A 26 3.052 21.883 0.772 1.00 30.35 C ATOM 526 CG GLU A 26 3.716 22.064 -0.606 1.00 51.21 C ATOM 527 CD GLU A 26 3.214 23.301 -1.355 1.00 74.13 C ATOM 528 OE1 GLU A 26 1.976 23.471 -1.426 1.00 53.40 O ATOM 529 OE2 GLU A 26 4.076 24.049 -1.863 1.00 73.13 O1- ATOM 0 H GLU A 26 1.923 21.291 2.778 1.00 4.45 H new ATOM 0 HA GLU A 26 3.204 19.722 0.813 1.00 4.32 H new ATOM 0 HB2 GLU A 26 1.971 21.953 0.648 1.00 30.35 H new ATOM 0 HB3 GLU A 26 3.354 22.711 1.414 1.00 30.35 H new ATOM 0 HG2 GLU A 26 4.796 22.138 -0.476 1.00 51.21 H new ATOM 0 HG3 GLU A 26 3.528 21.178 -1.213 1.00 51.21 H new ATOM 536 N GLU A 27 5.298 20.642 3.064 1.00 23.43 N ATOM 537 CA GLU A 27 6.615 20.267 3.594 1.00 42.32 C ATOM 538 C GLU A 27 6.830 18.741 3.648 1.00 60.41 C ATOM 539 O GLU A 27 7.847 18.261 3.153 1.00 20.41 O ATOM 540 CB GLU A 27 6.854 20.951 4.961 1.00 44.32 C ATOM 541 CG GLU A 27 8.100 20.436 5.715 1.00 65.14 C ATOM 542 CD GLU A 27 8.423 21.183 7.006 1.00 54.33 C ATOM 543 OE1 GLU A 27 7.468 21.590 7.702 1.00 1.32 O ATOM 544 OE2 GLU A 27 9.635 21.291 7.294 1.00 2.33 O1- ATOM 0 H GLU A 27 4.724 21.152 3.735 1.00 23.43 H new ATOM 0 HA GLU A 27 7.369 20.632 2.897 1.00 42.32 H new ATOM 0 HB2 GLU A 27 6.955 22.025 4.805 1.00 44.32 H new ATOM 0 HB3 GLU A 27 5.975 20.802 5.588 1.00 44.32 H new ATOM 0 HG2 GLU A 27 7.955 19.381 5.949 1.00 65.14 H new ATOM 0 HG3 GLU A 27 8.961 20.500 5.050 1.00 65.14 H new ATOM 551 N LEU A 28 5.865 18.015 4.240 1.00 0.12 N ATOM 552 CA LEU A 28 5.875 16.555 4.379 1.00 12.23 C ATOM 553 C LEU A 28 5.772 15.813 3.031 1.00 43.24 C ATOM 554 O LEU A 28 6.214 14.669 2.956 1.00 61.10 O ATOM 555 CB LEU A 28 4.761 16.142 5.370 1.00 51.32 C ATOM 556 CG LEU A 28 4.778 14.674 5.861 1.00 2.11 C ATOM 557 CD1 LEU A 28 6.085 14.288 6.584 1.00 52.22 C ATOM 558 CD2 LEU A 28 3.550 14.388 6.744 1.00 72.24 C ATOM 0 H LEU A 28 5.034 18.445 4.646 1.00 0.12 H new ATOM 0 HA LEU A 28 6.843 16.253 4.779 1.00 12.23 H new ATOM 0 HB2 LEU A 28 4.822 16.793 6.242 1.00 51.32 H new ATOM 0 HB3 LEU A 28 3.797 16.332 4.897 1.00 51.32 H new ATOM 0 HG LEU A 28 4.731 14.046 4.972 1.00 2.11 H new ATOM 0 HD11 LEU A 28 6.031 13.247 6.902 1.00 52.22 H new ATOM 0 HD12 LEU A 28 6.928 14.417 5.905 1.00 52.22 H new ATOM 0 HD13 LEU A 28 6.221 14.927 7.456 1.00 52.22 H new ATOM 0 HD21 LEU A 28 3.577 13.352 7.081 1.00 72.24 H new ATOM 0 HD22 LEU A 28 3.562 15.051 7.609 1.00 72.24 H new ATOM 0 HD23 LEU A 28 2.640 14.558 6.168 1.00 72.24 H new ATOM 570 N ILE A 29 5.254 16.484 1.986 1.00 60.55 N ATOM 571 CA ILE A 29 5.305 16.006 0.605 1.00 71.25 C ATOM 572 C ILE A 29 6.738 16.156 0.049 1.00 13.24 C ATOM 573 O ILE A 29 7.349 15.151 -0.304 1.00 22.23 O ATOM 574 CB ILE A 29 4.326 16.765 -0.343 1.00 2.25 C ATOM 575 CG1 ILE A 29 2.879 16.767 0.198 1.00 22.34 C ATOM 576 CG2 ILE A 29 4.363 16.196 -1.778 1.00 52.45 C ATOM 577 CD1 ILE A 29 1.895 17.568 -0.663 1.00 11.22 C ATOM 0 H ILE A 29 4.784 17.384 2.085 1.00 60.55 H new ATOM 0 HA ILE A 29 5.000 14.960 0.632 1.00 71.25 H new ATOM 0 HB ILE A 29 4.671 17.798 -0.378 1.00 2.25 H new ATOM 0 HG12 ILE A 29 2.528 15.738 0.272 1.00 22.34 H new ATOM 0 HG13 ILE A 29 2.880 17.177 1.208 1.00 22.34 H new ATOM 0 HG21 ILE A 29 3.668 16.751 -2.408 1.00 52.45 H new ATOM 0 HG22 ILE A 29 5.371 16.290 -2.181 1.00 52.45 H new ATOM 0 HG23 ILE A 29 4.076 15.145 -1.760 1.00 52.45 H new ATOM 0 HD11 ILE A 29 0.901 17.522 -0.218 1.00 11.22 H new ATOM 0 HD12 ILE A 29 2.221 18.607 -0.717 1.00 11.22 H new ATOM 0 HD13 ILE A 29 1.863 17.146 -1.667 1.00 11.22 H new ATOM 589 N GLN A 30 7.249 17.400 -0.008 1.00 32.25 N ATOM 590 CA GLN A 30 8.538 17.740 -0.620 1.00 61.21 C ATOM 591 C GLN A 30 9.780 17.134 0.060 1.00 51.51 C ATOM 592 O GLN A 30 10.786 16.948 -0.625 1.00 1.33 O ATOM 593 CB GLN A 30 8.654 19.271 -0.815 1.00 10.35 C ATOM 594 CG GLN A 30 8.148 19.779 -2.184 1.00 51.13 C ATOM 595 CD GLN A 30 6.673 19.479 -2.466 1.00 55.11 C ATOM 596 OE1 GLN A 30 5.790 20.081 -1.869 1.00 12.32 O ATOM 597 NE2 GLN A 30 6.386 18.564 -3.389 1.00 72.51 N ATOM 0 H GLN A 30 6.764 18.210 0.379 1.00 32.25 H new ATOM 0 HA GLN A 30 8.535 17.255 -1.596 1.00 61.21 H new ATOM 0 HB2 GLN A 30 8.092 19.769 -0.025 1.00 10.35 H new ATOM 0 HB3 GLN A 30 9.698 19.562 -0.696 1.00 10.35 H new ATOM 0 HG2 GLN A 30 8.303 20.857 -2.238 1.00 51.13 H new ATOM 0 HG3 GLN A 30 8.754 19.330 -2.971 1.00 51.13 H new ATOM 0 HE21 GLN A 30 7.139 18.075 -3.874 1.00 72.51 H new ATOM 0 HE22 GLN A 30 5.413 18.352 -3.612 1.00 72.51 H new ATOM 606 N LYS A 31 9.687 16.795 1.356 1.00 43.00 N ATOM 607 CA LYS A 31 10.716 16.035 2.067 1.00 3.12 C ATOM 608 C LYS A 31 10.447 14.523 1.988 1.00 74.44 C ATOM 609 O LYS A 31 11.396 13.773 1.770 1.00 12.13 O ATOM 610 CB LYS A 31 10.831 16.516 3.528 1.00 33.32 C ATOM 611 CG LYS A 31 11.243 17.999 3.640 1.00 45.12 C ATOM 612 CD LYS A 31 11.713 18.450 5.034 1.00 12.15 C ATOM 613 CE LYS A 31 10.813 17.999 6.194 1.00 65.13 C ATOM 614 NZ LYS A 31 11.075 18.779 7.416 1.00 3.44 N1+ ATOM 0 H LYS A 31 8.889 17.044 1.940 1.00 43.00 H new ATOM 0 HA LYS A 31 11.673 16.216 1.578 1.00 3.12 H new ATOM 0 HB2 LYS A 31 9.874 16.371 4.030 1.00 33.32 H new ATOM 0 HB3 LYS A 31 11.562 15.900 4.052 1.00 33.32 H new ATOM 0 HG2 LYS A 31 12.044 18.191 2.926 1.00 45.12 H new ATOM 0 HG3 LYS A 31 10.396 18.617 3.343 1.00 45.12 H new ATOM 0 HD2 LYS A 31 12.720 18.068 5.204 1.00 12.15 H new ATOM 0 HD3 LYS A 31 11.779 19.538 5.045 1.00 12.15 H new ATOM 0 HE2 LYS A 31 9.767 18.109 5.908 1.00 65.13 H new ATOM 0 HE3 LYS A 31 10.979 16.940 6.394 1.00 65.13 H new ATOM 0 HZ1 LYS A 31 10.770 18.234 8.248 1.00 3.44 H new ATOM 0 HZ2 LYS A 31 12.093 18.980 7.488 1.00 3.44 H new ATOM 0 HZ3 LYS A 31 10.547 19.674 7.376 1.00 3.44 H new ATOM 628 N GLY A 32 9.174 14.105 2.131 1.00 50.40 N ATOM 629 CA GLY A 32 8.748 12.702 2.177 1.00 15.11 C ATOM 630 C GLY A 32 8.943 11.940 0.856 1.00 24.21 C ATOM 631 O GLY A 32 8.998 10.711 0.890 1.00 34.34 O ATOM 0 H GLY A 32 8.395 14.757 2.220 1.00 50.40 H new ATOM 0 HA2 GLY A 32 9.303 12.191 2.963 1.00 15.11 H new ATOM 0 HA3 GLY A 32 7.694 12.663 2.454 1.00 15.11 H new ATOM 635 N LYS A 33 9.081 12.642 -0.284 1.00 12.04 N ATOM 636 CA LYS A 33 9.449 12.055 -1.576 1.00 4.24 C ATOM 637 C LYS A 33 10.883 11.487 -1.603 1.00 31.01 C ATOM 638 O LYS A 33 11.099 10.470 -2.261 1.00 75.03 O ATOM 639 CB LYS A 33 9.221 13.067 -2.723 1.00 50.23 C ATOM 640 CG LYS A 33 9.978 14.405 -2.613 1.00 63.12 C ATOM 641 CD LYS A 33 10.399 14.952 -3.987 1.00 33.54 C ATOM 642 CE LYS A 33 11.055 16.340 -3.945 1.00 3.24 C ATOM 643 NZ LYS A 33 12.278 16.349 -3.124 1.00 40.25 N1+ ATOM 0 H LYS A 33 8.936 13.651 -0.329 1.00 12.04 H new ATOM 0 HA LYS A 33 8.789 11.201 -1.728 1.00 4.24 H new ATOM 0 HB2 LYS A 33 9.504 12.590 -3.661 1.00 50.23 H new ATOM 0 HB3 LYS A 33 8.154 13.281 -2.783 1.00 50.23 H new ATOM 0 HG2 LYS A 33 9.346 15.137 -2.111 1.00 63.12 H new ATOM 0 HG3 LYS A 33 10.863 14.269 -1.992 1.00 63.12 H new ATOM 0 HD2 LYS A 33 11.094 14.249 -4.447 1.00 33.54 H new ATOM 0 HD3 LYS A 33 9.520 14.998 -4.630 1.00 33.54 H new ATOM 0 HE2 LYS A 33 11.297 16.657 -4.959 1.00 3.24 H new ATOM 0 HE3 LYS A 33 10.345 17.064 -3.546 1.00 3.24 H new ATOM 0 HZ1 LYS A 33 12.847 17.188 -3.358 1.00 40.25 H new ATOM 0 HZ2 LYS A 33 12.020 16.376 -2.117 1.00 40.25 H new ATOM 0 HZ3 LYS A 33 12.832 15.490 -3.317 1.00 40.25 H new ATOM 657 N ASP A 34 11.812 12.140 -0.879 1.00 62.15 N ATOM 658 CA ASP A 34 13.224 11.755 -0.770 1.00 21.33 C ATOM 659 C ASP A 34 13.508 10.889 0.468 1.00 71.54 C ATOM 660 O ASP A 34 14.547 10.228 0.480 1.00 72.31 O ATOM 661 CB ASP A 34 14.206 12.953 -0.807 1.00 41.55 C ATOM 662 CG ASP A 34 14.132 13.849 -2.051 1.00 64.03 C ATOM 663 OD1 ASP A 34 14.872 14.856 -2.055 1.00 3.04 O ATOM 664 OD2 ASP A 34 13.365 13.536 -2.988 1.00 22.15 O1- ATOM 0 H ASP A 34 11.589 12.976 -0.338 1.00 62.15 H new ATOM 0 HA ASP A 34 13.406 11.158 -1.664 1.00 21.33 H new ATOM 0 HB2 ASP A 34 14.026 13.571 0.072 1.00 41.55 H new ATOM 0 HB3 ASP A 34 15.222 12.567 -0.722 1.00 41.55 H new ATOM 669 N ILE A 35 12.603 10.866 1.466 1.00 31.14 N ATOM 670 CA ILE A 35 12.685 9.922 2.583 1.00 55.24 C ATOM 671 C ILE A 35 12.313 8.519 2.075 1.00 62.22 C ATOM 672 O ILE A 35 11.160 8.284 1.707 1.00 12.45 O ATOM 673 CB ILE A 35 11.767 10.289 3.791 1.00 1.50 C ATOM 674 CG1 ILE A 35 12.133 11.654 4.421 1.00 2.13 C ATOM 675 CG2 ILE A 35 11.714 9.198 4.888 1.00 34.10 C ATOM 676 CD1 ILE A 35 13.411 11.666 5.274 1.00 60.03 C ATOM 0 H ILE A 35 11.804 11.498 1.515 1.00 31.14 H new ATOM 0 HA ILE A 35 13.710 9.960 2.952 1.00 55.24 H new ATOM 0 HB ILE A 35 10.769 10.362 3.359 1.00 1.50 H new ATOM 0 HG12 ILE A 35 12.244 12.386 3.621 1.00 2.13 H new ATOM 0 HG13 ILE A 35 11.300 11.984 5.041 1.00 2.13 H new ATOM 0 HG21 ILE A 35 11.057 9.524 5.694 1.00 34.10 H new ATOM 0 HG22 ILE A 35 11.332 8.271 4.461 1.00 34.10 H new ATOM 0 HG23 ILE A 35 12.716 9.030 5.282 1.00 34.10 H new ATOM 0 HD11 ILE A 35 13.576 12.669 5.668 1.00 60.03 H new ATOM 0 HD12 ILE A 35 13.303 10.964 6.101 1.00 60.03 H new ATOM 0 HD13 ILE A 35 14.262 11.373 4.659 1.00 60.03 H new ATOM 688 N LYS A 36 13.318 7.629 2.062 1.00 74.41 N ATOM 689 CA LYS A 36 13.181 6.227 1.679 1.00 33.25 C ATOM 690 C LYS A 36 12.272 5.486 2.673 1.00 45.41 C ATOM 691 O LYS A 36 12.555 5.460 3.872 1.00 40.12 O ATOM 692 CB LYS A 36 14.583 5.600 1.495 1.00 5.55 C ATOM 693 CG LYS A 36 15.510 5.568 2.734 1.00 63.32 C ATOM 694 CD LYS A 36 15.560 4.222 3.482 1.00 41.44 C ATOM 695 CE LYS A 36 16.304 3.121 2.713 1.00 21.10 C ATOM 696 NZ LYS A 36 16.305 1.854 3.464 1.00 52.24 N1+ ATOM 0 H LYS A 36 14.271 7.878 2.326 1.00 74.41 H new ATOM 0 HA LYS A 36 12.682 6.138 0.714 1.00 33.25 H new ATOM 0 HB2 LYS A 36 14.452 4.576 1.144 1.00 5.55 H new ATOM 0 HB3 LYS A 36 15.096 6.145 0.703 1.00 5.55 H new ATOM 0 HG2 LYS A 36 16.520 5.828 2.418 1.00 63.32 H new ATOM 0 HG3 LYS A 36 15.185 6.341 3.431 1.00 63.32 H new ATOM 0 HD2 LYS A 36 16.044 4.370 4.448 1.00 41.44 H new ATOM 0 HD3 LYS A 36 14.542 3.889 3.683 1.00 41.44 H new ATOM 0 HE2 LYS A 36 15.833 2.971 1.742 1.00 21.10 H new ATOM 0 HE3 LYS A 36 17.330 3.436 2.524 1.00 21.10 H new ATOM 0 HZ1 LYS A 36 16.259 1.056 2.799 1.00 52.24 H new ATOM 0 HZ2 LYS A 36 17.176 1.785 4.028 1.00 52.24 H new ATOM 0 HZ3 LYS A 36 15.480 1.825 4.097 1.00 52.24 H new ATOM 710 N GLY A 37 11.163 4.954 2.142 1.00 23.34 N ATOM 711 CA GLY A 37 10.122 4.294 2.916 1.00 45.33 C ATOM 712 C GLY A 37 10.322 2.776 2.894 1.00 41.21 C ATOM 713 O GLY A 37 11.102 2.236 2.106 1.00 4.23 O ATOM 0 H GLY A 37 10.968 4.975 1.141 1.00 23.34 H new ATOM 0 HA2 GLY A 37 10.141 4.655 3.944 1.00 45.33 H new ATOM 0 HA3 GLY A 37 9.143 4.544 2.508 1.00 45.33 H new ATOM 717 N VAL A 38 9.572 2.098 3.769 1.00 63.12 N ATOM 718 CA VAL A 38 9.485 0.644 3.868 1.00 63.14 C ATOM 719 C VAL A 38 8.013 0.269 4.114 1.00 60.44 C ATOM 720 O VAL A 38 7.287 1.023 4.761 1.00 44.23 O ATOM 721 CB VAL A 38 10.363 0.089 5.036 1.00 70.34 C ATOM 722 CG1 VAL A 38 10.215 -1.428 5.292 1.00 54.02 C ATOM 723 CG2 VAL A 38 11.857 0.410 4.835 1.00 31.32 C ATOM 0 H VAL A 38 8.985 2.572 4.456 1.00 63.12 H new ATOM 0 HA VAL A 38 9.855 0.205 2.941 1.00 63.14 H new ATOM 0 HB VAL A 38 9.978 0.605 5.915 1.00 70.34 H new ATOM 0 HG11 VAL A 38 10.861 -1.722 6.119 1.00 54.02 H new ATOM 0 HG12 VAL A 38 9.179 -1.655 5.542 1.00 54.02 H new ATOM 0 HG13 VAL A 38 10.501 -1.978 4.395 1.00 54.02 H new ATOM 0 HG21 VAL A 38 12.431 0.007 5.669 1.00 31.32 H new ATOM 0 HG22 VAL A 38 12.204 -0.040 3.905 1.00 31.32 H new ATOM 0 HG23 VAL A 38 11.994 1.490 4.789 1.00 31.32 H new ATOM 733 N SER A 39 7.614 -0.903 3.605 1.00 2.42 N ATOM 734 CA SER A 39 6.338 -1.549 3.885 1.00 44.24 C ATOM 735 C SER A 39 6.599 -2.981 4.374 1.00 54.13 C ATOM 736 O SER A 39 7.592 -3.597 3.991 1.00 2.40 O ATOM 737 CB SER A 39 5.453 -1.485 2.622 1.00 2.01 C ATOM 738 OG SER A 39 4.184 -2.074 2.827 1.00 13.42 O ATOM 0 H SER A 39 8.196 -1.442 2.964 1.00 2.42 H new ATOM 0 HA SER A 39 5.796 -1.035 4.679 1.00 44.24 H new ATOM 0 HB2 SER A 39 5.324 -0.445 2.323 1.00 2.01 H new ATOM 0 HB3 SER A 39 5.959 -1.993 1.800 1.00 2.01 H new ATOM 0 HG SER A 39 3.896 -1.918 3.751 1.00 13.42 H new ATOM 744 N GLU A 40 5.696 -3.477 5.230 1.00 10.33 N ATOM 745 CA GLU A 40 5.773 -4.797 5.837 1.00 32.53 C ATOM 746 C GLU A 40 4.352 -5.352 5.930 1.00 52.00 C ATOM 747 O GLU A 40 3.542 -4.847 6.707 1.00 5.23 O ATOM 748 CB GLU A 40 6.510 -4.692 7.187 1.00 74.12 C ATOM 749 CG GLU A 40 6.652 -6.025 7.947 1.00 23.34 C ATOM 750 CD GLU A 40 7.535 -5.907 9.193 1.00 35.54 C ATOM 751 OE1 GLU A 40 7.628 -4.790 9.748 1.00 3.21 O ATOM 752 OE2 GLU A 40 8.134 -6.943 9.555 1.00 73.21 O1- ATOM 0 H GLU A 40 4.872 -2.951 5.522 1.00 10.33 H new ATOM 0 HA GLU A 40 6.353 -5.501 5.240 1.00 32.53 H new ATOM 0 HB2 GLU A 40 7.504 -4.281 7.012 1.00 74.12 H new ATOM 0 HB3 GLU A 40 5.979 -3.982 7.821 1.00 74.12 H new ATOM 0 HG2 GLU A 40 5.663 -6.378 8.240 1.00 23.34 H new ATOM 0 HG3 GLU A 40 7.073 -6.776 7.279 1.00 23.34 H new ATOM 759 N ILE A 41 4.075 -6.359 5.096 1.00 61.23 N ATOM 760 CA ILE A 41 2.749 -6.941 4.915 1.00 42.43 C ATOM 761 C ILE A 41 2.771 -8.346 5.545 1.00 63.52 C ATOM 762 O ILE A 41 3.813 -9.003 5.499 1.00 75.40 O ATOM 763 CB ILE A 41 2.400 -7.097 3.402 1.00 2.44 C ATOM 764 CG1 ILE A 41 2.785 -5.859 2.551 1.00 52.20 C ATOM 765 CG2 ILE A 41 0.899 -7.392 3.207 1.00 14.43 C ATOM 766 CD1 ILE A 41 2.716 -6.104 1.036 1.00 12.11 C ATOM 0 H ILE A 41 4.788 -6.801 4.515 1.00 61.23 H new ATOM 0 HA ILE A 41 2.007 -6.290 5.378 1.00 42.43 H new ATOM 0 HB ILE A 41 2.997 -7.939 3.051 1.00 2.44 H new ATOM 0 HG12 ILE A 41 2.121 -5.033 2.807 1.00 52.20 H new ATOM 0 HG13 ILE A 41 3.796 -5.549 2.814 1.00 52.20 H new ATOM 0 HG21 ILE A 41 0.684 -7.496 2.144 1.00 14.43 H new ATOM 0 HG22 ILE A 41 0.640 -8.317 3.722 1.00 14.43 H new ATOM 0 HG23 ILE A 41 0.311 -6.572 3.618 1.00 14.43 H new ATOM 0 HD11 ILE A 41 2.999 -5.194 0.507 1.00 12.11 H new ATOM 0 HD12 ILE A 41 3.401 -6.908 0.766 1.00 12.11 H new ATOM 0 HD13 ILE A 41 1.700 -6.384 0.759 1.00 12.11 H new ATOM 778 N VAL A 42 1.640 -8.784 6.123 1.00 61.12 N ATOM 779 CA VAL A 42 1.513 -10.120 6.704 1.00 35.52 C ATOM 780 C VAL A 42 0.112 -10.674 6.393 1.00 4.05 C ATOM 781 O VAL A 42 -0.852 -10.286 7.054 1.00 65.04 O ATOM 782 CB VAL A 42 1.726 -10.143 8.254 1.00 31.23 C ATOM 783 CG1 VAL A 42 1.784 -11.581 8.805 1.00 33.13 C ATOM 784 CG2 VAL A 42 2.973 -9.370 8.720 1.00 72.01 C ATOM 0 H VAL A 42 0.794 -8.220 6.198 1.00 61.12 H new ATOM 0 HA VAL A 42 2.296 -10.733 6.259 1.00 35.52 H new ATOM 0 HB VAL A 42 0.853 -9.632 8.659 1.00 31.23 H new ATOM 0 HG11 VAL A 42 1.933 -11.551 9.884 1.00 33.13 H new ATOM 0 HG12 VAL A 42 0.849 -12.094 8.582 1.00 33.13 H new ATOM 0 HG13 VAL A 42 2.612 -12.116 8.339 1.00 33.13 H new ATOM 0 HG21 VAL A 42 3.054 -9.431 9.805 1.00 72.01 H new ATOM 0 HG22 VAL A 42 3.862 -9.806 8.265 1.00 72.01 H new ATOM 0 HG23 VAL A 42 2.887 -8.325 8.421 1.00 72.01 H new ATOM 794 N GLN A 43 0.023 -11.597 5.419 1.00 74.40 N ATOM 795 CA GLN A 43 -1.169 -12.418 5.214 1.00 30.22 C ATOM 796 C GLN A 43 -1.178 -13.564 6.239 1.00 35.33 C ATOM 797 O GLN A 43 -0.220 -14.335 6.294 1.00 41.12 O ATOM 798 CB GLN A 43 -1.254 -12.942 3.763 1.00 42.11 C ATOM 799 CG GLN A 43 -2.536 -13.777 3.522 1.00 34.04 C ATOM 800 CD GLN A 43 -2.796 -14.152 2.064 1.00 1.32 C ATOM 801 OE1 GLN A 43 -1.965 -13.936 1.191 1.00 41.31 O ATOM 802 NE2 GLN A 43 -3.973 -14.717 1.793 1.00 12.51 N ATOM 0 H GLN A 43 0.776 -11.789 4.758 1.00 74.40 H new ATOM 0 HA GLN A 43 -2.056 -11.804 5.369 1.00 30.22 H new ATOM 0 HB2 GLN A 43 -1.235 -12.100 3.072 1.00 42.11 H new ATOM 0 HB3 GLN A 43 -0.378 -13.553 3.546 1.00 42.11 H new ATOM 0 HG2 GLN A 43 -2.472 -14.692 4.111 1.00 34.04 H new ATOM 0 HG3 GLN A 43 -3.393 -13.216 3.896 1.00 34.04 H new ATOM 0 HE21 GLN A 43 -4.644 -14.883 2.543 1.00 12.51 H new ATOM 0 HE22 GLN A 43 -4.203 -14.983 0.835 1.00 12.51 H new ATOM 811 N ASN A 44 -2.278 -13.655 6.998 1.00 25.45 N ATOM 812 CA ASN A 44 -2.568 -14.705 7.974 1.00 44.42 C ATOM 813 C ASN A 44 -3.941 -15.286 7.613 1.00 53.04 C ATOM 814 O ASN A 44 -4.934 -14.997 8.284 1.00 61.10 O ATOM 815 CB ASN A 44 -2.527 -14.105 9.404 1.00 64.41 C ATOM 816 CG ASN A 44 -1.120 -13.783 9.916 1.00 15.53 C ATOM 817 OD1 ASN A 44 -0.160 -14.493 9.623 1.00 22.31 O ATOM 818 ND2 ASN A 44 -0.995 -12.723 10.717 1.00 74.22 N ATOM 0 H ASN A 44 -3.025 -12.962 6.943 1.00 25.45 H new ATOM 0 HA ASN A 44 -1.829 -15.506 7.953 1.00 44.42 H new ATOM 0 HB2 ASN A 44 -3.123 -13.193 9.419 1.00 64.41 H new ATOM 0 HB3 ASN A 44 -2.999 -14.806 10.092 1.00 64.41 H new ATOM 0 HD21 ASN A 44 -0.083 -12.482 11.105 1.00 74.22 H new ATOM 0 HD22 ASN A 44 -1.811 -12.154 10.941 1.00 74.22 H new ATOM 825 N GLY A 45 -3.973 -16.083 6.531 1.00 55.11 N ATOM 826 CA GLY A 45 -5.197 -16.674 5.991 1.00 22.41 C ATOM 827 C GLY A 45 -6.008 -15.580 5.290 1.00 72.11 C ATOM 828 O GLY A 45 -5.522 -14.957 4.346 1.00 3.32 O ATOM 0 H GLY A 45 -3.136 -16.334 6.005 1.00 55.11 H new ATOM 0 HA2 GLY A 45 -4.953 -17.471 5.289 1.00 22.41 H new ATOM 0 HA3 GLY A 45 -5.784 -17.124 6.792 1.00 22.41 H new ATOM 832 N LYS A 46 -7.248 -15.360 5.755 1.00 5.11 N ATOM 833 CA LYS A 46 -8.103 -14.258 5.304 1.00 20.40 C ATOM 834 C LYS A 46 -7.685 -12.900 5.895 1.00 71.33 C ATOM 835 O LYS A 46 -7.959 -11.885 5.258 1.00 41.04 O ATOM 836 CB LYS A 46 -9.578 -14.567 5.634 1.00 51.11 C ATOM 837 CG LYS A 46 -10.157 -15.845 4.995 1.00 71.21 C ATOM 838 CD LYS A 46 -10.208 -15.853 3.451 1.00 71.33 C ATOM 839 CE LYS A 46 -8.988 -16.473 2.743 1.00 20.20 C ATOM 840 NZ LYS A 46 -8.853 -17.909 3.040 1.00 73.11 N1+ ATOM 0 H LYS A 46 -7.687 -15.950 6.462 1.00 5.11 H new ATOM 0 HA LYS A 46 -7.982 -14.175 4.224 1.00 20.40 H new ATOM 0 HB2 LYS A 46 -9.679 -14.647 6.716 1.00 51.11 H new ATOM 0 HB3 LYS A 46 -10.186 -13.719 5.319 1.00 51.11 H new ATOM 0 HG2 LYS A 46 -9.563 -16.697 5.326 1.00 71.21 H new ATOM 0 HG3 LYS A 46 -11.168 -15.994 5.375 1.00 71.21 H new ATOM 0 HD2 LYS A 46 -11.100 -16.396 3.139 1.00 71.33 H new ATOM 0 HD3 LYS A 46 -10.322 -14.826 3.105 1.00 71.33 H new ATOM 0 HE2 LYS A 46 -9.083 -16.332 1.666 1.00 20.20 H new ATOM 0 HE3 LYS A 46 -8.083 -15.951 3.055 1.00 20.20 H new ATOM 0 HZ1 LYS A 46 -8.193 -18.343 2.364 1.00 73.11 H new ATOM 0 HZ2 LYS A 46 -8.488 -18.031 4.006 1.00 73.11 H new ATOM 0 HZ3 LYS A 46 -9.782 -18.369 2.960 1.00 73.11 H new ATOM 854 N HIS A 47 -7.027 -12.891 7.069 1.00 31.14 N ATOM 855 CA HIS A 47 -6.499 -11.678 7.698 1.00 24.30 C ATOM 856 C HIS A 47 -5.269 -11.138 6.944 1.00 32.21 C ATOM 857 O HIS A 47 -4.497 -11.915 6.383 1.00 44.23 O ATOM 858 CB HIS A 47 -6.185 -11.950 9.183 1.00 54.34 C ATOM 859 CG HIS A 47 -5.827 -10.712 9.969 1.00 0.32 C ATOM 860 ND1 HIS A 47 -6.781 -9.830 10.446 1.00 54.25 N ATOM 861 CD2 HIS A 47 -4.612 -10.187 10.351 1.00 21.51 C ATOM 862 CE1 HIS A 47 -6.128 -8.844 11.068 1.00 22.13 C ATOM 863 NE2 HIS A 47 -4.807 -8.989 11.042 1.00 23.21 N ATOM 0 H HIS A 47 -6.848 -13.738 7.609 1.00 31.14 H new ATOM 0 HA HIS A 47 -7.262 -10.901 7.646 1.00 24.30 H new ATOM 0 HB2 HIS A 47 -7.050 -12.425 9.646 1.00 54.34 H new ATOM 0 HB3 HIS A 47 -5.360 -12.660 9.246 1.00 54.34 H new ATOM 0 HD1 HIS A 47 -7.792 -9.916 10.342 1.00 54.25 H new ATOM 0 HD2 HIS A 47 -3.651 -10.635 10.146 1.00 21.51 H new ATOM 0 HE1 HIS A 47 -6.624 -8.012 11.545 1.00 22.13 H new ATOM 871 N PHE A 48 -5.123 -9.808 6.967 1.00 74.42 N ATOM 872 CA PHE A 48 -4.032 -9.052 6.368 1.00 52.41 C ATOM 873 C PHE A 48 -3.647 -7.893 7.290 1.00 65.41 C ATOM 874 O PHE A 48 -4.487 -7.028 7.539 1.00 43.24 O ATOM 875 CB PHE A 48 -4.471 -8.468 5.012 1.00 3.43 C ATOM 876 CG PHE A 48 -4.429 -9.397 3.818 1.00 54.13 C ATOM 877 CD1 PHE A 48 -5.518 -10.242 3.527 1.00 12.33 C ATOM 878 CD2 PHE A 48 -3.252 -9.501 3.051 1.00 73.22 C ATOM 879 CE1 PHE A 48 -5.456 -11.107 2.444 1.00 31.21 C ATOM 880 CE2 PHE A 48 -3.216 -10.361 1.965 1.00 75.23 C ATOM 881 CZ PHE A 48 -4.313 -11.153 1.656 1.00 72.20 C ATOM 0 H PHE A 48 -5.802 -9.204 7.430 1.00 74.42 H new ATOM 0 HA PHE A 48 -3.184 -9.721 6.223 1.00 52.41 H new ATOM 0 HB2 PHE A 48 -5.491 -8.097 5.117 1.00 3.43 H new ATOM 0 HB3 PHE A 48 -3.839 -7.607 4.794 1.00 3.43 H new ATOM 0 HD1 PHE A 48 -6.402 -10.216 4.147 1.00 12.33 H new ATOM 0 HD2 PHE A 48 -2.383 -8.914 3.308 1.00 73.22 H new ATOM 0 HE1 PHE A 48 -6.297 -11.745 2.214 1.00 31.21 H new ATOM 0 HE2 PHE A 48 -2.327 -10.415 1.354 1.00 75.23 H new ATOM 0 HZ PHE A 48 -4.278 -11.809 0.798 1.00 72.20 H new ATOM 891 N LYS A 49 -2.366 -7.846 7.687 1.00 64.51 N ATOM 892 CA LYS A 49 -1.720 -6.613 8.126 1.00 74.12 C ATOM 893 C LYS A 49 -1.042 -5.921 6.939 1.00 23.12 C ATOM 894 O LYS A 49 -0.505 -6.594 6.061 1.00 32.45 O ATOM 895 CB LYS A 49 -0.698 -6.877 9.253 1.00 31.13 C ATOM 896 CG LYS A 49 -1.274 -6.643 10.657 1.00 65.33 C ATOM 897 CD LYS A 49 -0.190 -6.499 11.734 1.00 22.54 C ATOM 898 CE LYS A 49 -0.783 -6.097 13.090 1.00 0.54 C ATOM 899 NZ LYS A 49 0.267 -5.799 14.077 1.00 11.34 N1+ ATOM 0 H LYS A 49 -1.756 -8.663 7.710 1.00 64.51 H new ATOM 0 HA LYS A 49 -2.491 -5.956 8.529 1.00 74.12 H new ATOM 0 HB2 LYS A 49 -0.343 -7.905 9.179 1.00 31.13 H new ATOM 0 HB3 LYS A 49 0.167 -6.230 9.109 1.00 31.13 H new ATOM 0 HG2 LYS A 49 -1.889 -5.743 10.646 1.00 65.33 H new ATOM 0 HG3 LYS A 49 -1.929 -7.474 10.918 1.00 65.33 H new ATOM 0 HD2 LYS A 49 0.347 -7.442 11.837 1.00 22.54 H new ATOM 0 HD3 LYS A 49 0.538 -5.751 11.419 1.00 22.54 H new ATOM 0 HE2 LYS A 49 -1.422 -5.223 12.963 1.00 0.54 H new ATOM 0 HE3 LYS A 49 -1.416 -6.902 13.464 1.00 0.54 H new ATOM 0 HZ1 LYS A 49 -0.151 -5.764 15.029 1.00 11.34 H new ATOM 0 HZ2 LYS A 49 0.994 -6.542 14.045 1.00 11.34 H new ATOM 0 HZ3 LYS A 49 0.701 -4.880 13.856 1.00 11.34 H new ATOM 913 N PHE A 50 -1.053 -4.583 6.988 1.00 3.40 N ATOM 914 CA PHE A 50 -0.332 -3.687 6.093 1.00 12.22 C ATOM 915 C PHE A 50 0.300 -2.584 6.943 1.00 40.53 C ATOM 916 O PHE A 50 -0.395 -1.645 7.333 1.00 2.33 O ATOM 917 CB PHE A 50 -1.278 -3.113 5.012 1.00 4.42 C ATOM 918 CG PHE A 50 -1.308 -3.879 3.701 1.00 74.03 C ATOM 919 CD1 PHE A 50 -2.060 -5.065 3.580 1.00 50.23 C ATOM 920 CD2 PHE A 50 -0.480 -3.480 2.631 1.00 61.21 C ATOM 921 CE1 PHE A 50 -2.046 -5.777 2.388 1.00 41.23 C ATOM 922 CE2 PHE A 50 -0.479 -4.206 1.447 1.00 2.54 C ATOM 923 CZ PHE A 50 -1.264 -5.345 1.324 1.00 33.23 C ATOM 0 H PHE A 50 -1.593 -4.077 7.690 1.00 3.40 H new ATOM 0 HA PHE A 50 0.451 -4.227 5.561 1.00 12.22 H new ATOM 0 HB2 PHE A 50 -2.289 -3.081 5.418 1.00 4.42 H new ATOM 0 HB3 PHE A 50 -0.984 -2.084 4.806 1.00 4.42 H new ATOM 0 HD1 PHE A 50 -2.647 -5.420 4.414 1.00 50.23 H new ATOM 0 HD2 PHE A 50 0.153 -2.611 2.732 1.00 61.21 H new ATOM 0 HE1 PHE A 50 -2.645 -6.670 2.288 1.00 41.23 H new ATOM 0 HE2 PHE A 50 0.135 -3.884 0.619 1.00 2.54 H new ATOM 0 HZ PHE A 50 -1.267 -5.898 0.396 1.00 33.23 H new ATOM 933 N THR A 51 1.606 -2.717 7.215 1.00 53.41 N ATOM 934 CA THR A 51 2.413 -1.673 7.841 1.00 52.03 C ATOM 935 C THR A 51 3.124 -0.871 6.737 1.00 73.11 C ATOM 936 O THR A 51 3.590 -1.467 5.764 1.00 24.43 O ATOM 937 CB THR A 51 3.502 -2.259 8.776 1.00 20.44 C ATOM 938 OG1 THR A 51 2.902 -3.126 9.717 1.00 61.14 O ATOM 939 CG2 THR A 51 4.322 -1.209 9.550 1.00 52.31 C ATOM 0 H THR A 51 2.133 -3.564 7.002 1.00 53.41 H new ATOM 0 HA THR A 51 1.745 -1.049 8.434 1.00 52.03 H new ATOM 0 HB THR A 51 4.196 -2.780 8.116 1.00 20.44 H new ATOM 0 HG1 THR A 51 3.592 -3.497 10.306 1.00 61.14 H new ATOM 0 HG21 THR A 51 5.058 -1.712 10.177 1.00 52.31 H new ATOM 0 HG22 THR A 51 4.833 -0.554 8.844 1.00 52.31 H new ATOM 0 HG23 THR A 51 3.655 -0.617 10.177 1.00 52.31 H new ATOM 947 N ILE A 52 3.189 0.456 6.904 1.00 25.40 N ATOM 948 CA ILE A 52 3.932 1.366 6.036 1.00 53.13 C ATOM 949 C ILE A 52 4.622 2.394 6.947 1.00 32.23 C ATOM 950 O ILE A 52 3.970 2.945 7.831 1.00 61.24 O ATOM 951 CB ILE A 52 3.019 2.137 5.029 1.00 31.34 C ATOM 952 CG1 ILE A 52 2.142 1.193 4.170 1.00 71.24 C ATOM 953 CG2 ILE A 52 3.835 3.077 4.108 1.00 40.02 C ATOM 954 CD1 ILE A 52 1.081 1.919 3.326 1.00 52.10 C ATOM 0 H ILE A 52 2.712 0.935 7.668 1.00 25.40 H new ATOM 0 HA ILE A 52 4.634 0.778 5.445 1.00 53.13 H new ATOM 0 HB ILE A 52 2.354 2.742 5.645 1.00 31.34 H new ATOM 0 HG12 ILE A 52 2.788 0.618 3.506 1.00 71.24 H new ATOM 0 HG13 ILE A 52 1.643 0.480 4.826 1.00 71.24 H new ATOM 0 HG21 ILE A 52 3.160 3.592 3.425 1.00 40.02 H new ATOM 0 HG22 ILE A 52 4.366 3.810 4.715 1.00 40.02 H new ATOM 0 HG23 ILE A 52 4.554 2.491 3.535 1.00 40.02 H new ATOM 0 HD11 ILE A 52 0.509 1.189 2.754 1.00 52.10 H new ATOM 0 HD12 ILE A 52 0.409 2.472 3.983 1.00 52.10 H new ATOM 0 HD13 ILE A 52 1.572 2.612 2.642 1.00 52.10 H new ATOM 966 N THR A 53 5.916 2.643 6.703 1.00 2.25 N ATOM 967 CA THR A 53 6.716 3.625 7.429 1.00 34.41 C ATOM 968 C THR A 53 7.460 4.507 6.417 1.00 12.24 C ATOM 969 O THR A 53 8.181 3.981 5.571 1.00 50.34 O ATOM 970 CB THR A 53 7.759 2.946 8.356 1.00 3.33 C ATOM 971 OG1 THR A 53 7.087 2.130 9.295 1.00 41.31 O ATOM 972 CG2 THR A 53 8.664 3.919 9.138 1.00 74.21 C ATOM 0 H THR A 53 6.442 2.154 5.979 1.00 2.25 H new ATOM 0 HA THR A 53 6.042 4.218 8.048 1.00 34.41 H new ATOM 0 HB THR A 53 8.408 2.377 7.691 1.00 3.33 H new ATOM 0 HG1 THR A 53 7.743 1.698 9.881 1.00 41.31 H new ATOM 0 HG21 THR A 53 9.359 3.352 9.757 1.00 74.21 H new ATOM 0 HG22 THR A 53 9.225 4.538 8.437 1.00 74.21 H new ATOM 0 HG23 THR A 53 8.049 4.557 9.773 1.00 74.21 H new ATOM 980 N ALA A 54 7.276 5.829 6.539 1.00 42.32 N ATOM 981 CA ALA A 54 7.895 6.858 5.702 1.00 33.40 C ATOM 982 C ALA A 54 7.643 8.231 6.334 1.00 4.42 C ATOM 983 O ALA A 54 6.609 8.423 6.975 1.00 71.34 O ATOM 984 CB ALA A 54 7.323 6.812 4.272 1.00 22.53 C ATOM 0 H ALA A 54 6.666 6.224 7.255 1.00 42.32 H new ATOM 0 HA ALA A 54 8.968 6.675 5.639 1.00 33.40 H new ATOM 0 HB1 ALA A 54 7.796 7.585 3.666 1.00 22.53 H new ATOM 0 HB2 ALA A 54 7.520 5.834 3.832 1.00 22.53 H new ATOM 0 HB3 ALA A 54 6.247 6.984 4.305 1.00 22.53 H new ATOM 990 N GLY A 55 8.583 9.168 6.131 1.00 31.11 N ATOM 991 CA GLY A 55 8.506 10.537 6.653 1.00 55.23 C ATOM 992 C GLY A 55 8.678 10.609 8.182 1.00 64.53 C ATOM 993 O GLY A 55 8.194 11.562 8.791 1.00 72.42 O ATOM 0 H GLY A 55 9.430 8.990 5.591 1.00 31.11 H new ATOM 0 HA2 GLY A 55 9.276 11.145 6.177 1.00 55.23 H new ATOM 0 HA3 GLY A 55 7.544 10.970 6.380 1.00 55.23 H new ATOM 997 N SER A 56 9.317 9.593 8.796 1.00 20.05 N ATOM 998 CA SER A 56 9.516 9.406 10.242 1.00 64.53 C ATOM 999 C SER A 56 8.213 9.166 11.040 1.00 74.02 C ATOM 1000 O SER A 56 8.194 9.383 12.252 1.00 44.30 O ATOM 1001 CB SER A 56 10.417 10.516 10.840 1.00 55.44 C ATOM 1002 OG SER A 56 11.753 10.338 10.414 1.00 64.35 O ATOM 0 H SER A 56 9.734 8.834 8.258 1.00 20.05 H new ATOM 0 HA SER A 56 10.057 8.466 10.352 1.00 64.53 H new ATOM 0 HB2 SER A 56 10.055 11.496 10.529 1.00 55.44 H new ATOM 0 HB3 SER A 56 10.367 10.489 11.929 1.00 55.44 H new ATOM 0 HG SER A 56 12.315 11.045 10.795 1.00 64.35 H new ATOM 1008 N LYS A 57 7.160 8.684 10.357 1.00 63.33 N ATOM 1009 CA LYS A 57 5.890 8.258 10.946 1.00 55.45 C ATOM 1010 C LYS A 57 5.527 6.863 10.424 1.00 41.21 C ATOM 1011 O LYS A 57 5.916 6.498 9.313 1.00 52.43 O ATOM 1012 CB LYS A 57 4.794 9.333 10.714 1.00 2.22 C ATOM 1013 CG LYS A 57 4.468 9.737 9.256 1.00 75.24 C ATOM 1014 CD LYS A 57 3.461 8.843 8.501 1.00 51.34 C ATOM 1015 CE LYS A 57 1.989 9.060 8.895 1.00 72.22 C ATOM 1016 NZ LYS A 57 1.498 10.379 8.460 1.00 60.33 N1+ ATOM 0 H LYS A 57 7.176 8.579 9.343 1.00 63.33 H new ATOM 0 HA LYS A 57 5.981 8.169 12.029 1.00 55.45 H new ATOM 0 HB2 LYS A 57 3.873 8.976 11.175 1.00 2.22 H new ATOM 0 HB3 LYS A 57 5.091 10.234 11.251 1.00 2.22 H new ATOM 0 HG2 LYS A 57 4.081 10.756 9.263 1.00 75.24 H new ATOM 0 HG3 LYS A 57 5.400 9.754 8.690 1.00 75.24 H new ATOM 0 HD2 LYS A 57 3.567 9.023 7.431 1.00 51.34 H new ATOM 0 HD3 LYS A 57 3.720 7.799 8.676 1.00 51.34 H new ATOM 0 HE2 LYS A 57 1.374 8.278 8.450 1.00 72.22 H new ATOM 0 HE3 LYS A 57 1.885 8.971 9.976 1.00 72.22 H new ATOM 0 HZ1 LYS A 57 0.525 10.287 8.104 1.00 60.33 H new ATOM 0 HZ2 LYS A 57 1.511 11.037 9.265 1.00 60.33 H new ATOM 0 HZ3 LYS A 57 2.111 10.745 7.704 1.00 60.33 H new ATOM 1030 N VAL A 58 4.788 6.115 11.256 1.00 55.31 N ATOM 1031 CA VAL A 58 4.346 4.749 10.983 1.00 42.03 C ATOM 1032 C VAL A 58 2.811 4.734 10.874 1.00 54.23 C ATOM 1033 O VAL A 58 2.134 5.410 11.650 1.00 21.21 O ATOM 1034 CB VAL A 58 4.749 3.783 12.141 1.00 0.10 C ATOM 1035 CG1 VAL A 58 4.303 2.320 11.916 1.00 44.04 C ATOM 1036 CG2 VAL A 58 6.264 3.816 12.418 1.00 42.14 C ATOM 0 H VAL A 58 4.474 6.459 12.164 1.00 55.31 H new ATOM 0 HA VAL A 58 4.817 4.419 10.057 1.00 42.03 H new ATOM 0 HB VAL A 58 4.212 4.160 13.011 1.00 0.10 H new ATOM 0 HG11 VAL A 58 4.619 1.709 12.762 1.00 44.04 H new ATOM 0 HG12 VAL A 58 3.218 2.280 11.825 1.00 44.04 H new ATOM 0 HG13 VAL A 58 4.758 1.937 11.002 1.00 44.04 H new ATOM 0 HG21 VAL A 58 6.500 3.129 13.231 1.00 42.14 H new ATOM 0 HG22 VAL A 58 6.805 3.516 11.520 1.00 42.14 H new ATOM 0 HG23 VAL A 58 6.561 4.827 12.699 1.00 42.14 H new ATOM 1046 N ILE A 59 2.309 3.929 9.931 1.00 41.03 N ATOM 1047 CA ILE A 59 0.901 3.595 9.760 1.00 34.25 C ATOM 1048 C ILE A 59 0.817 2.062 9.862 1.00 14.03 C ATOM 1049 O ILE A 59 1.579 1.377 9.182 1.00 51.40 O ATOM 1050 CB ILE A 59 0.355 3.999 8.350 1.00 23.52 C ATOM 1051 CG1 ILE A 59 0.669 5.470 7.984 1.00 33.02 C ATOM 1052 CG2 ILE A 59 -1.171 3.760 8.249 1.00 24.12 C ATOM 1053 CD1 ILE A 59 2.019 5.669 7.270 1.00 72.32 C ATOM 0 H ILE A 59 2.904 3.475 9.238 1.00 41.03 H new ATOM 0 HA ILE A 59 0.313 4.126 10.509 1.00 34.25 H new ATOM 0 HB ILE A 59 0.872 3.358 7.636 1.00 23.52 H new ATOM 0 HG12 ILE A 59 -0.127 5.851 7.344 1.00 33.02 H new ATOM 0 HG13 ILE A 59 0.661 6.069 8.895 1.00 33.02 H new ATOM 0 HG21 ILE A 59 -1.520 4.050 7.258 1.00 24.12 H new ATOM 0 HG22 ILE A 59 -1.386 2.704 8.414 1.00 24.12 H new ATOM 0 HG23 ILE A 59 -1.683 4.357 9.003 1.00 24.12 H new ATOM 0 HD11 ILE A 59 2.161 6.727 7.049 1.00 72.32 H new ATOM 0 HD12 ILE A 59 2.826 5.321 7.914 1.00 72.32 H new ATOM 0 HD13 ILE A 59 2.026 5.100 6.340 1.00 72.32 H new ATOM 1065 N GLN A 60 -0.117 1.558 10.683 1.00 35.51 N ATOM 1066 CA GLN A 60 -0.504 0.148 10.703 1.00 42.05 C ATOM 1067 C GLN A 60 -1.995 0.026 10.396 1.00 42.53 C ATOM 1068 O GLN A 60 -2.803 0.772 10.951 1.00 43.10 O ATOM 1069 CB GLN A 60 -0.176 -0.522 12.053 1.00 21.23 C ATOM 1070 CG GLN A 60 1.308 -0.892 12.215 1.00 52.05 C ATOM 1071 CD GLN A 60 1.513 -1.900 13.348 1.00 73.31 C ATOM 1072 OE1 GLN A 60 1.363 -3.106 13.153 1.00 23.35 O ATOM 1073 NE2 GLN A 60 1.846 -1.409 14.542 1.00 13.55 N ATOM 0 H GLN A 60 -0.628 2.128 11.357 1.00 35.51 H new ATOM 0 HA GLN A 60 0.073 -0.373 9.939 1.00 42.05 H new ATOM 0 HB2 GLN A 60 -0.464 0.150 12.862 1.00 21.23 H new ATOM 0 HB3 GLN A 60 -0.780 -1.424 12.157 1.00 21.23 H new ATOM 0 HG2 GLN A 60 1.684 -1.311 11.281 1.00 52.05 H new ATOM 0 HG3 GLN A 60 1.889 0.008 12.417 1.00 52.05 H new ATOM 0 HE21 GLN A 60 1.962 -0.403 14.666 1.00 13.55 H new ATOM 0 HE22 GLN A 60 1.985 -2.039 15.332 1.00 13.55 H new ATOM 1082 N ASN A 61 -2.308 -0.954 9.541 1.00 23.42 N ATOM 1083 CA ASN A 61 -3.655 -1.356 9.163 1.00 41.34 C ATOM 1084 C ASN A 61 -3.821 -2.846 9.426 1.00 52.20 C ATOM 1085 O ASN A 61 -2.879 -3.618 9.252 1.00 25.44 O ATOM 1086 CB ASN A 61 -3.869 -1.055 7.660 1.00 25.31 C ATOM 1087 CG ASN A 61 -4.143 0.421 7.391 1.00 33.31 C ATOM 1088 OD1 ASN A 61 -4.822 1.067 8.179 1.00 52.35 O ATOM 1089 ND2 ASN A 61 -3.661 0.954 6.267 1.00 11.11 N ATOM 0 H ASN A 61 -1.591 -1.510 9.076 1.00 23.42 H new ATOM 0 HA ASN A 61 -4.391 -0.804 9.748 1.00 41.34 H new ATOM 0 HB2 ASN A 61 -2.985 -1.364 7.102 1.00 25.31 H new ATOM 0 HB3 ASN A 61 -4.704 -1.649 7.289 1.00 25.31 H new ATOM 0 HD21 ASN A 61 -3.855 1.930 6.041 1.00 11.11 H new ATOM 0 HD22 ASN A 61 -3.099 0.386 5.633 1.00 11.11 H new ATOM 1096 N GLU A 62 -5.060 -3.195 9.791 1.00 40.14 N ATOM 1097 CA GLU A 62 -5.565 -4.554 9.877 1.00 21.24 C ATOM 1098 C GLU A 62 -6.897 -4.611 9.129 1.00 44.03 C ATOM 1099 O GLU A 62 -7.741 -3.728 9.296 1.00 14.33 O ATOM 1100 CB GLU A 62 -5.753 -4.973 11.348 1.00 43.32 C ATOM 1101 CG GLU A 62 -4.440 -5.415 12.018 1.00 34.42 C ATOM 1102 CD GLU A 62 -4.623 -5.906 13.456 1.00 31.11 C ATOM 1103 OE1 GLU A 62 -3.706 -5.641 14.263 1.00 31.44 O ATOM 1104 OE2 GLU A 62 -5.659 -6.553 13.725 1.00 11.32 O1- ATOM 0 H GLU A 62 -5.763 -2.501 10.044 1.00 40.14 H new ATOM 0 HA GLU A 62 -4.852 -5.246 9.429 1.00 21.24 H new ATOM 0 HB2 GLU A 62 -6.177 -4.139 11.907 1.00 43.32 H new ATOM 0 HB3 GLU A 62 -6.473 -5.789 11.399 1.00 43.32 H new ATOM 0 HG2 GLU A 62 -3.989 -6.211 11.425 1.00 34.42 H new ATOM 0 HG3 GLU A 62 -3.740 -4.579 12.014 1.00 34.42 H new ATOM 1111 N PHE A 63 -7.065 -5.686 8.353 1.00 33.11 N ATOM 1112 CA PHE A 63 -8.313 -6.037 7.692 1.00 33.44 C ATOM 1113 C PHE A 63 -8.380 -7.548 7.472 1.00 12.32 C ATOM 1114 O PHE A 63 -7.394 -8.251 7.675 1.00 41.43 O ATOM 1115 CB PHE A 63 -8.518 -5.216 6.397 1.00 71.24 C ATOM 1116 CG PHE A 63 -7.532 -5.446 5.266 1.00 63.13 C ATOM 1117 CD1 PHE A 63 -6.356 -4.674 5.194 1.00 51.23 C ATOM 1118 CD2 PHE A 63 -7.721 -6.496 4.341 1.00 40.24 C ATOM 1119 CE1 PHE A 63 -5.465 -4.864 4.149 1.00 20.42 C ATOM 1120 CE2 PHE A 63 -6.802 -6.688 3.319 1.00 73.04 C ATOM 1121 CZ PHE A 63 -5.692 -5.860 3.207 1.00 52.40 C ATOM 0 H PHE A 63 -6.313 -6.350 8.166 1.00 33.11 H new ATOM 0 HA PHE A 63 -9.149 -5.771 8.339 1.00 33.44 H new ATOM 0 HB2 PHE A 63 -9.519 -5.425 6.020 1.00 71.24 H new ATOM 0 HB3 PHE A 63 -8.490 -4.158 6.660 1.00 71.24 H new ATOM 0 HD1 PHE A 63 -6.148 -3.934 5.953 1.00 51.23 H new ATOM 0 HD2 PHE A 63 -8.578 -7.148 4.429 1.00 40.24 H new ATOM 0 HE1 PHE A 63 -4.591 -4.235 4.067 1.00 20.42 H new ATOM 0 HE2 PHE A 63 -6.951 -7.486 2.606 1.00 73.04 H new ATOM 0 HZ PHE A 63 -5.003 -5.991 2.385 1.00 52.40 H new ATOM 1131 N THR A 64 -9.564 -8.008 7.053 1.00 34.14 N ATOM 1132 CA THR A 64 -9.820 -9.387 6.662 1.00 3.13 C ATOM 1133 C THR A 64 -10.616 -9.345 5.352 1.00 74.33 C ATOM 1134 O THR A 64 -11.623 -8.638 5.291 1.00 14.33 O ATOM 1135 CB THR A 64 -10.631 -10.131 7.757 1.00 62.34 C ATOM 1136 OG1 THR A 64 -9.865 -10.177 8.946 1.00 32.13 O ATOM 1137 CG2 THR A 64 -11.040 -11.572 7.411 1.00 71.51 C ATOM 0 H THR A 64 -10.388 -7.411 6.977 1.00 34.14 H new ATOM 0 HA THR A 64 -8.881 -9.924 6.532 1.00 3.13 H new ATOM 0 HB THR A 64 -11.555 -9.563 7.861 1.00 62.34 H new ATOM 0 HG1 THR A 64 -10.371 -10.644 9.643 1.00 32.13 H new ATOM 0 HG21 THR A 64 -11.601 -12.000 8.242 1.00 71.51 H new ATOM 0 HG22 THR A 64 -11.662 -11.569 6.516 1.00 71.51 H new ATOM 0 HG23 THR A 64 -10.147 -12.170 7.230 1.00 71.51 H new ATOM 1145 N VAL A 65 -10.142 -10.059 4.315 1.00 1.44 N ATOM 1146 CA VAL A 65 -10.791 -10.072 3.001 1.00 54.10 C ATOM 1147 C VAL A 65 -12.117 -10.854 3.027 1.00 54.34 C ATOM 1148 O VAL A 65 -12.211 -11.896 3.677 1.00 74.41 O ATOM 1149 CB VAL A 65 -9.885 -10.625 1.865 1.00 62.42 C ATOM 1150 CG1 VAL A 65 -8.668 -9.719 1.644 1.00 54.54 C ATOM 1151 CG2 VAL A 65 -9.464 -12.101 1.998 1.00 44.43 C ATOM 0 H VAL A 65 -9.304 -10.638 4.368 1.00 1.44 H new ATOM 0 HA VAL A 65 -10.992 -9.024 2.777 1.00 54.10 H new ATOM 0 HB VAL A 65 -10.522 -10.610 0.980 1.00 62.42 H new ATOM 0 HG11 VAL A 65 -8.050 -10.128 0.844 1.00 54.54 H new ATOM 0 HG12 VAL A 65 -9.004 -8.719 1.368 1.00 54.54 H new ATOM 0 HG13 VAL A 65 -8.083 -9.665 2.562 1.00 54.54 H new ATOM 0 HG21 VAL A 65 -8.835 -12.378 1.152 1.00 44.43 H new ATOM 0 HG22 VAL A 65 -8.906 -12.238 2.924 1.00 44.43 H new ATOM 0 HG23 VAL A 65 -10.352 -12.733 2.012 1.00 44.43 H new ATOM 1161 N GLY A 66 -13.127 -10.284 2.349 1.00 74.31 N ATOM 1162 CA GLY A 66 -14.516 -10.746 2.364 1.00 2.14 C ATOM 1163 C GLY A 66 -15.319 -10.151 3.539 1.00 14.12 C ATOM 1164 O GLY A 66 -16.545 -10.237 3.516 1.00 1.40 O ATOM 0 H GLY A 66 -12.990 -9.464 1.758 1.00 74.31 H new ATOM 0 HA2 GLY A 66 -14.997 -10.475 1.424 1.00 2.14 H new ATOM 0 HA3 GLY A 66 -14.534 -11.834 2.429 1.00 2.14 H new ATOM 1168 N GLU A 67 -14.650 -9.537 4.531 1.00 62.22 N ATOM 1169 CA GLU A 67 -15.237 -8.847 5.684 1.00 2.33 C ATOM 1170 C GLU A 67 -15.006 -7.330 5.545 1.00 4.41 C ATOM 1171 O GLU A 67 -14.103 -6.912 4.817 1.00 32.14 O ATOM 1172 CB GLU A 67 -14.544 -9.348 6.974 1.00 31.54 C ATOM 1173 CG GLU A 67 -14.667 -10.859 7.274 1.00 14.13 C ATOM 1174 CD GLU A 67 -16.075 -11.302 7.680 1.00 5.44 C ATOM 1175 OE1 GLU A 67 -16.545 -12.308 7.108 1.00 65.44 O ATOM 1176 OE2 GLU A 67 -16.645 -10.643 8.577 1.00 14.02 O1- ATOM 0 H GLU A 67 -13.630 -9.510 4.547 1.00 62.22 H new ATOM 0 HA GLU A 67 -16.307 -9.051 5.730 1.00 2.33 H new ATOM 0 HB2 GLU A 67 -13.485 -9.096 6.914 1.00 31.54 H new ATOM 0 HB3 GLU A 67 -14.955 -8.797 7.820 1.00 31.54 H new ATOM 0 HG2 GLU A 67 -14.362 -11.420 6.391 1.00 14.13 H new ATOM 0 HG3 GLU A 67 -13.972 -11.118 8.072 1.00 14.13 H new ATOM 1183 N GLU A 68 -15.803 -6.536 6.280 1.00 71.35 N ATOM 1184 CA GLU A 68 -15.636 -5.085 6.389 1.00 12.25 C ATOM 1185 C GLU A 68 -14.765 -4.747 7.608 1.00 3.41 C ATOM 1186 O GLU A 68 -15.048 -5.232 8.704 1.00 31.22 O ATOM 1187 CB GLU A 68 -17.021 -4.411 6.462 1.00 12.34 C ATOM 1188 CG GLU A 68 -16.954 -2.871 6.445 1.00 14.12 C ATOM 1189 CD GLU A 68 -18.344 -2.243 6.425 1.00 40.53 C ATOM 1190 OE1 GLU A 68 -18.939 -2.148 7.521 1.00 12.21 O ATOM 1191 OE2 GLU A 68 -18.781 -1.865 5.316 1.00 55.12 O1- ATOM 0 H GLU A 68 -16.591 -6.893 6.821 1.00 71.35 H new ATOM 0 HA GLU A 68 -15.124 -4.701 5.507 1.00 12.25 H new ATOM 0 HB2 GLU A 68 -17.627 -4.750 5.622 1.00 12.34 H new ATOM 0 HB3 GLU A 68 -17.527 -4.735 7.371 1.00 12.34 H new ATOM 0 HG2 GLU A 68 -16.410 -2.521 7.322 1.00 14.12 H new ATOM 0 HG3 GLU A 68 -16.394 -2.541 5.570 1.00 14.12 H new ATOM 1198 N CYS A 69 -13.733 -3.917 7.389 1.00 35.11 N ATOM 1199 CA CYS A 69 -12.760 -3.497 8.401 1.00 24.14 C ATOM 1200 C CYS A 69 -12.374 -2.027 8.167 1.00 1.24 C ATOM 1201 O CYS A 69 -12.499 -1.523 7.052 1.00 23.03 O ATOM 1202 CB CYS A 69 -11.495 -4.378 8.374 1.00 31.21 C ATOM 1203 SG CYS A 69 -11.830 -6.044 9.019 1.00 73.13 S ATOM 0 H CYS A 69 -13.550 -3.509 6.472 1.00 35.11 H new ATOM 0 HA CYS A 69 -13.224 -3.609 9.381 1.00 24.14 H new ATOM 0 HB2 CYS A 69 -11.122 -4.450 7.352 1.00 31.21 H new ATOM 0 HB3 CYS A 69 -10.710 -3.908 8.967 1.00 31.21 H new ATOM 0 HG CYS A 69 -13.114 -6.230 9.093 1.00 73.13 H new ATOM 1209 N GLU A 70 -11.904 -1.367 9.237 1.00 32.42 N ATOM 1210 CA GLU A 70 -11.590 0.060 9.239 1.00 52.30 C ATOM 1211 C GLU A 70 -10.112 0.281 8.863 1.00 74.34 C ATOM 1212 O GLU A 70 -9.225 -0.115 9.620 1.00 25.25 O ATOM 1213 CB GLU A 70 -11.987 0.639 10.615 1.00 50.13 C ATOM 1214 CG GLU A 70 -12.660 2.017 10.499 1.00 14.35 C ATOM 1215 CD GLU A 70 -13.222 2.501 11.832 1.00 23.31 C ATOM 1216 OE1 GLU A 70 -12.700 3.519 12.336 1.00 55.42 O ATOM 1217 OE2 GLU A 70 -14.172 1.847 12.317 1.00 61.02 O1- ATOM 0 H GLU A 70 -11.731 -1.820 10.134 1.00 32.42 H new ATOM 0 HA GLU A 70 -12.161 0.598 8.482 1.00 52.30 H new ATOM 0 HB2 GLU A 70 -12.665 -0.053 11.115 1.00 50.13 H new ATOM 0 HB3 GLU A 70 -11.099 0.723 11.241 1.00 50.13 H new ATOM 0 HG2 GLU A 70 -11.936 2.742 10.128 1.00 14.35 H new ATOM 0 HG3 GLU A 70 -13.464 1.965 9.765 1.00 14.35 H new ATOM 1224 N LEU A 71 -9.890 0.896 7.687 1.00 24.32 N ATOM 1225 CA LEU A 71 -8.570 1.192 7.133 1.00 60.35 C ATOM 1226 C LEU A 71 -8.191 2.653 7.402 1.00 15.41 C ATOM 1227 O LEU A 71 -8.922 3.561 7.003 1.00 44.21 O ATOM 1228 CB LEU A 71 -8.561 0.915 5.610 1.00 65.33 C ATOM 1229 CG LEU A 71 -8.493 -0.580 5.233 1.00 22.45 C ATOM 1230 CD1 LEU A 71 -8.623 -0.772 3.710 1.00 60.14 C ATOM 1231 CD2 LEU A 71 -7.218 -1.257 5.772 1.00 4.32 C ATOM 0 H LEU A 71 -10.651 1.207 7.084 1.00 24.32 H new ATOM 0 HA LEU A 71 -7.837 0.547 7.617 1.00 60.35 H new ATOM 0 HB2 LEU A 71 -9.459 1.348 5.169 1.00 65.33 H new ATOM 0 HB3 LEU A 71 -7.709 1.428 5.165 1.00 65.33 H new ATOM 0 HG LEU A 71 -9.341 -1.071 5.711 1.00 22.45 H new ATOM 0 HD11 LEU A 71 -8.572 -1.834 3.472 1.00 60.14 H new ATOM 0 HD12 LEU A 71 -9.578 -0.370 3.373 1.00 60.14 H new ATOM 0 HD13 LEU A 71 -7.811 -0.248 3.207 1.00 60.14 H new ATOM 0 HD21 LEU A 71 -7.214 -2.308 5.482 1.00 4.32 H new ATOM 0 HD22 LEU A 71 -6.340 -0.762 5.357 1.00 4.32 H new ATOM 0 HD23 LEU A 71 -7.197 -1.180 6.859 1.00 4.32 H new ATOM 1243 N GLU A 72 -7.023 2.824 8.038 1.00 40.11 N ATOM 1244 CA GLU A 72 -6.362 4.093 8.321 1.00 5.22 C ATOM 1245 C GLU A 72 -5.545 4.559 7.104 1.00 54.31 C ATOM 1246 O GLU A 72 -5.021 3.730 6.356 1.00 55.05 O ATOM 1247 CB GLU A 72 -5.481 3.893 9.574 1.00 30.20 C ATOM 1248 CG GLU A 72 -4.958 5.181 10.233 1.00 61.31 C ATOM 1249 CD GLU A 72 -4.277 4.876 11.570 1.00 64.43 C ATOM 1250 OE1 GLU A 72 -4.946 4.252 12.426 1.00 32.23 O ATOM 1251 OE2 GLU A 72 -3.099 5.269 11.714 1.00 12.31 O1- ATOM 0 H GLU A 72 -6.488 2.029 8.387 1.00 40.11 H new ATOM 0 HA GLU A 72 -7.093 4.878 8.517 1.00 5.22 H new ATOM 0 HB2 GLU A 72 -6.055 3.335 10.314 1.00 30.20 H new ATOM 0 HB3 GLU A 72 -4.627 3.274 9.300 1.00 30.20 H new ATOM 0 HG2 GLU A 72 -4.252 5.674 9.565 1.00 61.31 H new ATOM 0 HG3 GLU A 72 -5.784 5.874 10.391 1.00 61.31 H new ATOM 1258 N THR A 73 -5.448 5.884 6.942 1.00 14.12 N ATOM 1259 CA THR A 73 -4.735 6.547 5.850 1.00 13.34 C ATOM 1260 C THR A 73 -3.629 7.467 6.402 1.00 65.20 C ATOM 1261 O THR A 73 -3.525 7.653 7.615 1.00 23.23 O ATOM 1262 CB THR A 73 -5.731 7.380 4.995 1.00 62.31 C ATOM 1263 OG1 THR A 73 -6.333 8.441 5.716 1.00 65.12 O ATOM 1264 CG2 THR A 73 -6.844 6.516 4.391 1.00 60.04 C ATOM 0 H THR A 73 -5.879 6.543 7.590 1.00 14.12 H new ATOM 0 HA THR A 73 -4.273 5.782 5.226 1.00 13.34 H new ATOM 0 HB THR A 73 -5.119 7.801 4.197 1.00 62.31 H new ATOM 0 HG1 THR A 73 -6.836 8.077 6.474 1.00 65.12 H new ATOM 0 HG21 THR A 73 -7.513 7.144 3.803 1.00 60.04 H new ATOM 0 HG22 THR A 73 -6.404 5.753 3.748 1.00 60.04 H new ATOM 0 HG23 THR A 73 -7.407 6.036 5.191 1.00 60.04 H new ATOM 1272 N MET A 74 -2.809 8.015 5.485 1.00 72.21 N ATOM 1273 CA MET A 74 -1.682 8.919 5.760 1.00 42.23 C ATOM 1274 C MET A 74 -2.070 10.195 6.538 1.00 45.20 C ATOM 1275 O MET A 74 -1.267 10.676 7.337 1.00 11.12 O ATOM 1276 CB MET A 74 -1.009 9.316 4.428 1.00 54.15 C ATOM 1277 CG MET A 74 -0.431 8.163 3.592 1.00 21.54 C ATOM 1278 SD MET A 74 1.101 7.458 4.253 1.00 51.13 S ATOM 1279 CE MET A 74 1.509 6.302 2.920 1.00 13.43 C ATOM 0 H MET A 74 -2.921 7.830 4.488 1.00 72.21 H new ATOM 0 HA MET A 74 -0.997 8.367 6.403 1.00 42.23 H new ATOM 0 HB2 MET A 74 -1.740 9.848 3.819 1.00 54.15 H new ATOM 0 HB3 MET A 74 -0.205 10.018 4.646 1.00 54.15 H new ATOM 0 HG2 MET A 74 -1.178 7.373 3.518 1.00 21.54 H new ATOM 0 HG3 MET A 74 -0.245 8.521 2.580 1.00 21.54 H new ATOM 0 HE1 MET A 74 2.442 5.790 3.155 1.00 13.43 H new ATOM 0 HE2 MET A 74 0.709 5.569 2.817 1.00 13.43 H new ATOM 0 HE3 MET A 74 1.622 6.850 1.985 1.00 13.43 H new ATOM 1289 N THR A 75 -3.291 10.702 6.297 1.00 42.35 N ATOM 1290 CA THR A 75 -3.904 11.847 6.978 1.00 12.24 C ATOM 1291 C THR A 75 -4.416 11.520 8.403 1.00 50.13 C ATOM 1292 O THR A 75 -4.653 12.453 9.169 1.00 10.31 O ATOM 1293 CB THR A 75 -5.108 12.372 6.150 1.00 54.03 C ATOM 1294 OG1 THR A 75 -6.144 11.415 6.067 1.00 22.32 O ATOM 1295 CG2 THR A 75 -4.759 12.821 4.726 1.00 32.15 C ATOM 0 H THR A 75 -3.904 10.302 5.587 1.00 42.35 H new ATOM 0 HA THR A 75 -3.117 12.595 7.067 1.00 12.24 H new ATOM 0 HB THR A 75 -5.436 13.252 6.703 1.00 54.03 H new ATOM 0 HG1 THR A 75 -5.758 10.514 6.059 1.00 22.32 H new ATOM 0 HG21 THR A 75 -5.661 13.172 4.224 1.00 32.15 H new ATOM 0 HG22 THR A 75 -4.029 13.630 4.768 1.00 32.15 H new ATOM 0 HG23 THR A 75 -4.339 11.981 4.173 1.00 32.15 H new ATOM 1303 N GLY A 76 -4.549 10.227 8.741 1.00 72.11 N ATOM 1304 CA GLY A 76 -4.948 9.747 10.062 1.00 42.54 C ATOM 1305 C GLY A 76 -6.438 9.377 10.140 1.00 52.34 C ATOM 1306 O GLY A 76 -6.835 8.798 11.151 1.00 50.44 O ATOM 0 H GLY A 76 -4.376 9.470 8.080 1.00 72.11 H new ATOM 0 HA2 GLY A 76 -4.348 8.875 10.322 1.00 42.54 H new ATOM 0 HA3 GLY A 76 -4.731 10.516 10.803 1.00 42.54 H new ATOM 1310 N GLU A 77 -7.257 9.665 9.106 1.00 21.31 N ATOM 1311 CA GLU A 77 -8.656 9.223 9.031 1.00 22.12 C ATOM 1312 C GLU A 77 -8.757 7.699 8.899 1.00 21.20 C ATOM 1313 O GLU A 77 -7.988 7.105 8.144 1.00 41.31 O ATOM 1314 CB GLU A 77 -9.424 9.856 7.845 1.00 15.43 C ATOM 1315 CG GLU A 77 -9.879 11.315 8.046 1.00 15.44 C ATOM 1316 CD GLU A 77 -8.899 12.331 7.475 1.00 51.14 C ATOM 1317 OE1 GLU A 77 -9.226 12.893 6.407 1.00 5.31 O ATOM 1318 OE2 GLU A 77 -7.822 12.495 8.086 1.00 25.15 O1- ATOM 0 H GLU A 77 -6.960 10.213 8.299 1.00 21.31 H new ATOM 0 HA GLU A 77 -9.111 9.554 9.964 1.00 22.12 H new ATOM 0 HB2 GLU A 77 -8.789 9.811 6.960 1.00 15.43 H new ATOM 0 HB3 GLU A 77 -10.303 9.246 7.638 1.00 15.43 H new ATOM 0 HG2 GLU A 77 -10.852 11.454 7.575 1.00 15.44 H new ATOM 0 HG3 GLU A 77 -10.010 11.505 9.111 1.00 15.44 H new ATOM 1325 N LYS A 78 -9.747 7.128 9.598 1.00 55.25 N ATOM 1326 CA LYS A 78 -10.132 5.727 9.493 1.00 3.40 C ATOM 1327 C LYS A 78 -11.552 5.670 8.920 1.00 71.00 C ATOM 1328 O LYS A 78 -12.417 6.419 9.376 1.00 4.24 O ATOM 1329 CB LYS A 78 -10.052 5.055 10.877 1.00 55.15 C ATOM 1330 CG LYS A 78 -8.662 5.178 11.521 1.00 73.24 C ATOM 1331 CD LYS A 78 -8.410 4.229 12.699 1.00 1.34 C ATOM 1332 CE LYS A 78 -8.340 2.750 12.285 1.00 24.13 C ATOM 1333 NZ LYS A 78 -7.491 1.983 13.212 1.00 73.22 N1+ ATOM 0 H LYS A 78 -10.313 7.648 10.268 1.00 55.25 H new ATOM 0 HA LYS A 78 -9.455 5.186 8.832 1.00 3.40 H new ATOM 0 HB2 LYS A 78 -10.794 5.504 11.537 1.00 55.15 H new ATOM 0 HB3 LYS A 78 -10.310 4.000 10.779 1.00 55.15 H new ATOM 0 HG2 LYS A 78 -7.906 4.994 10.757 1.00 73.24 H new ATOM 0 HG3 LYS A 78 -8.526 6.204 11.864 1.00 73.24 H new ATOM 0 HD2 LYS A 78 -7.476 4.507 13.187 1.00 1.34 H new ATOM 0 HD3 LYS A 78 -9.204 4.356 13.435 1.00 1.34 H new ATOM 0 HE2 LYS A 78 -9.344 2.325 12.269 1.00 24.13 H new ATOM 0 HE3 LYS A 78 -7.944 2.670 11.273 1.00 24.13 H new ATOM 0 HZ1 LYS A 78 -7.460 0.988 12.911 1.00 73.22 H new ATOM 0 HZ2 LYS A 78 -6.528 2.377 13.207 1.00 73.22 H new ATOM 0 HZ3 LYS A 78 -7.885 2.042 14.173 1.00 73.22 H new ATOM 1347 N VAL A 79 -11.761 4.790 7.929 1.00 1.35 N ATOM 1348 CA VAL A 79 -13.063 4.564 7.301 1.00 52.00 C ATOM 1349 C VAL A 79 -13.278 3.059 7.091 1.00 21.12 C ATOM 1350 O VAL A 79 -12.340 2.352 6.714 1.00 51.44 O ATOM 1351 CB VAL A 79 -13.204 5.285 5.925 1.00 52.22 C ATOM 1352 CG1 VAL A 79 -13.138 6.815 6.062 1.00 21.11 C ATOM 1353 CG2 VAL A 79 -12.242 4.804 4.822 1.00 11.12 C ATOM 0 H VAL A 79 -11.018 4.210 7.539 1.00 1.35 H new ATOM 0 HA VAL A 79 -13.814 4.979 7.973 1.00 52.00 H new ATOM 0 HB VAL A 79 -14.200 4.995 5.590 1.00 52.22 H new ATOM 0 HG11 VAL A 79 -13.241 7.273 5.078 1.00 21.11 H new ATOM 0 HG12 VAL A 79 -13.946 7.158 6.708 1.00 21.11 H new ATOM 0 HG13 VAL A 79 -12.180 7.100 6.497 1.00 21.11 H new ATOM 0 HG21 VAL A 79 -12.424 5.370 3.908 1.00 11.12 H new ATOM 0 HG22 VAL A 79 -11.212 4.958 5.145 1.00 11.12 H new ATOM 0 HG23 VAL A 79 -12.408 3.744 4.631 1.00 11.12 H new ATOM 1363 N LYS A 80 -14.520 2.602 7.328 1.00 53.10 N ATOM 1364 CA LYS A 80 -14.938 1.225 7.073 1.00 4.31 C ATOM 1365 C LYS A 80 -15.065 0.942 5.572 1.00 51.25 C ATOM 1366 O LYS A 80 -15.591 1.770 4.828 1.00 64.23 O ATOM 1367 CB LYS A 80 -16.240 0.897 7.823 1.00 10.51 C ATOM 1368 CG LYS A 80 -16.020 0.631 9.322 1.00 11.33 C ATOM 1369 CD LYS A 80 -17.175 -0.156 9.952 1.00 15.03 C ATOM 1370 CE LYS A 80 -16.902 -0.534 11.412 1.00 54.32 C ATOM 1371 NZ LYS A 80 -17.969 -1.401 11.938 1.00 45.32 N1+ ATOM 0 H LYS A 80 -15.264 3.189 7.705 1.00 53.10 H new ATOM 0 HA LYS A 80 -14.159 0.566 7.457 1.00 4.31 H new ATOM 0 HB2 LYS A 80 -16.939 1.725 7.705 1.00 10.51 H new ATOM 0 HB3 LYS A 80 -16.704 0.021 7.369 1.00 10.51 H new ATOM 0 HG2 LYS A 80 -15.091 0.078 9.457 1.00 11.33 H new ATOM 0 HG3 LYS A 80 -15.904 1.581 9.844 1.00 11.33 H new ATOM 0 HD2 LYS A 80 -18.087 0.439 9.899 1.00 15.03 H new ATOM 0 HD3 LYS A 80 -17.351 -1.062 9.373 1.00 15.03 H new ATOM 0 HE2 LYS A 80 -15.942 -1.046 11.486 1.00 54.32 H new ATOM 0 HE3 LYS A 80 -16.829 0.369 12.018 1.00 54.32 H new ATOM 0 HZ1 LYS A 80 -17.763 -1.644 12.928 1.00 45.32 H new ATOM 0 HZ2 LYS A 80 -18.879 -0.901 11.887 1.00 45.32 H new ATOM 0 HZ3 LYS A 80 -18.020 -2.272 11.371 1.00 45.32 H new ATOM 1385 N THR A 81 -14.567 -0.237 5.177 1.00 62.20 N ATOM 1386 CA THR A 81 -14.513 -0.693 3.798 1.00 53.21 C ATOM 1387 C THR A 81 -14.232 -2.205 3.751 1.00 74.41 C ATOM 1388 O THR A 81 -13.483 -2.725 4.580 1.00 1.11 O ATOM 1389 CB THR A 81 -13.438 0.080 2.975 1.00 31.43 C ATOM 1390 OG1 THR A 81 -13.344 -0.422 1.657 1.00 61.52 O ATOM 1391 CG2 THR A 81 -12.017 0.029 3.568 1.00 11.41 C ATOM 0 H THR A 81 -14.181 -0.914 5.835 1.00 62.20 H new ATOM 0 HA THR A 81 -15.483 -0.492 3.344 1.00 53.21 H new ATOM 0 HB THR A 81 -13.787 1.112 2.998 1.00 31.43 H new ATOM 0 HG1 THR A 81 -13.213 0.322 1.032 1.00 61.52 H new ATOM 0 HG21 THR A 81 -11.336 0.593 2.930 1.00 11.41 H new ATOM 0 HG22 THR A 81 -12.024 0.465 4.567 1.00 11.41 H new ATOM 0 HG23 THR A 81 -11.684 -1.007 3.627 1.00 11.41 H new ATOM 1399 N VAL A 82 -14.835 -2.875 2.761 1.00 54.21 N ATOM 1400 CA VAL A 82 -14.566 -4.272 2.437 1.00 2.52 C ATOM 1401 C VAL A 82 -13.355 -4.345 1.492 1.00 71.31 C ATOM 1402 O VAL A 82 -13.242 -3.521 0.581 1.00 45.34 O ATOM 1403 CB VAL A 82 -15.793 -4.929 1.742 1.00 3.10 C ATOM 1404 CG1 VAL A 82 -15.550 -6.380 1.273 1.00 13.34 C ATOM 1405 CG2 VAL A 82 -17.031 -4.903 2.659 1.00 41.33 C ATOM 0 H VAL A 82 -15.536 -2.449 2.154 1.00 54.21 H new ATOM 0 HA VAL A 82 -14.361 -4.810 3.363 1.00 2.52 H new ATOM 0 HB VAL A 82 -15.965 -4.325 0.851 1.00 3.10 H new ATOM 0 HG11 VAL A 82 -16.453 -6.765 0.799 1.00 13.34 H new ATOM 0 HG12 VAL A 82 -14.728 -6.398 0.557 1.00 13.34 H new ATOM 0 HG13 VAL A 82 -15.297 -7.002 2.131 1.00 13.34 H new ATOM 0 HG21 VAL A 82 -17.873 -5.369 2.147 1.00 41.33 H new ATOM 0 HG22 VAL A 82 -16.816 -5.451 3.576 1.00 41.33 H new ATOM 0 HG23 VAL A 82 -17.281 -3.871 2.903 1.00 41.33 H new ATOM 1415 N VAL A 83 -12.488 -5.346 1.716 1.00 50.33 N ATOM 1416 CA VAL A 83 -11.353 -5.630 0.842 1.00 1.45 C ATOM 1417 C VAL A 83 -11.598 -6.969 0.129 1.00 42.54 C ATOM 1418 O VAL A 83 -12.097 -7.914 0.741 1.00 75.24 O ATOM 1419 CB VAL A 83 -10.011 -5.715 1.619 1.00 14.31 C ATOM 1420 CG1 VAL A 83 -8.798 -5.850 0.666 1.00 11.14 C ATOM 1421 CG2 VAL A 83 -9.836 -4.511 2.568 1.00 54.42 C ATOM 0 H VAL A 83 -12.560 -5.979 2.512 1.00 50.33 H new ATOM 0 HA VAL A 83 -11.272 -4.809 0.130 1.00 1.45 H new ATOM 0 HB VAL A 83 -10.051 -6.620 2.225 1.00 14.31 H new ATOM 0 HG11 VAL A 83 -7.880 -5.906 1.251 1.00 11.14 H new ATOM 0 HG12 VAL A 83 -8.904 -6.756 0.069 1.00 11.14 H new ATOM 0 HG13 VAL A 83 -8.755 -4.983 0.006 1.00 11.14 H new ATOM 0 HG21 VAL A 83 -8.887 -4.600 3.097 1.00 54.42 H new ATOM 0 HG22 VAL A 83 -9.844 -3.587 1.989 1.00 54.42 H new ATOM 0 HG23 VAL A 83 -10.653 -4.494 3.289 1.00 54.42 H new ATOM 1431 N GLN A 84 -11.247 -7.003 -1.162 1.00 2.21 N ATOM 1432 CA GLN A 84 -11.383 -8.152 -2.050 1.00 63.42 C ATOM 1433 C GLN A 84 -10.002 -8.667 -2.464 1.00 34.52 C ATOM 1434 O GLN A 84 -9.029 -7.914 -2.423 1.00 4.42 O ATOM 1435 CB GLN A 84 -12.190 -7.718 -3.296 1.00 11.40 C ATOM 1436 CG GLN A 84 -13.657 -7.324 -3.014 1.00 5.34 C ATOM 1437 CD GLN A 84 -14.507 -8.456 -2.425 1.00 72.33 C ATOM 1438 OE1 GLN A 84 -14.220 -9.636 -2.618 1.00 52.13 O ATOM 1439 NE2 GLN A 84 -15.585 -8.098 -1.726 1.00 15.21 N ATOM 0 H GLN A 84 -10.843 -6.193 -1.632 1.00 2.21 H new ATOM 0 HA GLN A 84 -11.905 -8.959 -1.535 1.00 63.42 H new ATOM 0 HB2 GLN A 84 -11.685 -6.872 -3.762 1.00 11.40 H new ATOM 0 HB3 GLN A 84 -12.180 -8.533 -4.020 1.00 11.40 H new ATOM 0 HG2 GLN A 84 -13.669 -6.479 -2.326 1.00 5.34 H new ATOM 0 HG3 GLN A 84 -14.116 -6.985 -3.943 1.00 5.34 H new ATOM 0 HE21 GLN A 84 -15.796 -7.110 -1.584 1.00 15.21 H new ATOM 0 HE22 GLN A 84 -16.199 -8.812 -1.334 1.00 15.21 H new ATOM 1448 N LEU A 85 -9.964 -9.941 -2.883 1.00 73.01 N ATOM 1449 CA LEU A 85 -8.775 -10.631 -3.372 1.00 3.11 C ATOM 1450 C LEU A 85 -9.150 -11.461 -4.606 1.00 44.15 C ATOM 1451 O LEU A 85 -10.191 -12.122 -4.600 1.00 14.14 O ATOM 1452 CB LEU A 85 -8.163 -11.463 -2.216 1.00 74.15 C ATOM 1453 CG LEU A 85 -6.949 -12.358 -2.578 1.00 63.33 C ATOM 1454 CD1 LEU A 85 -5.873 -12.342 -1.475 1.00 45.24 C ATOM 1455 CD2 LEU A 85 -7.377 -13.801 -2.929 1.00 63.34 C ATOM 0 H LEU A 85 -10.793 -10.535 -2.888 1.00 73.01 H new ATOM 0 HA LEU A 85 -8.005 -9.930 -3.692 1.00 3.11 H new ATOM 0 HB2 LEU A 85 -7.858 -10.777 -1.426 1.00 74.15 H new ATOM 0 HB3 LEU A 85 -8.945 -12.099 -1.802 1.00 74.15 H new ATOM 0 HG LEU A 85 -6.501 -11.928 -3.474 1.00 63.33 H new ATOM 0 HD11 LEU A 85 -5.041 -12.982 -1.769 1.00 45.24 H new ATOM 0 HD12 LEU A 85 -5.514 -11.323 -1.332 1.00 45.24 H new ATOM 0 HD13 LEU A 85 -6.302 -12.710 -0.543 1.00 45.24 H new ATOM 0 HD21 LEU A 85 -6.495 -14.392 -3.176 1.00 63.34 H new ATOM 0 HD22 LEU A 85 -7.886 -14.248 -2.075 1.00 63.34 H new ATOM 0 HD23 LEU A 85 -8.052 -13.782 -3.784 1.00 63.34 H new ATOM 1467 N GLU A 86 -8.277 -11.421 -5.624 1.00 34.23 N ATOM 1468 CA GLU A 86 -8.402 -12.179 -6.870 1.00 41.11 C ATOM 1469 C GLU A 86 -7.347 -13.298 -6.903 1.00 1.21 C ATOM 1470 O GLU A 86 -6.325 -13.209 -6.218 1.00 11.02 O ATOM 1471 CB GLU A 86 -8.212 -11.229 -8.072 1.00 33.43 C ATOM 1472 CG GLU A 86 -9.170 -10.021 -8.082 1.00 24.04 C ATOM 1473 CD GLU A 86 -8.921 -9.106 -9.278 1.00 60.22 C ATOM 1474 OE1 GLU A 86 -9.686 -9.226 -10.259 1.00 65.14 O ATOM 1475 OE2 GLU A 86 -7.971 -8.298 -9.189 1.00 55.51 O1- ATOM 0 H GLU A 86 -7.439 -10.840 -5.598 1.00 34.23 H new ATOM 0 HA GLU A 86 -9.393 -12.629 -6.927 1.00 41.11 H new ATOM 0 HB2 GLU A 86 -7.185 -10.864 -8.073 1.00 33.43 H new ATOM 0 HB3 GLU A 86 -8.350 -11.795 -8.993 1.00 33.43 H new ATOM 0 HG2 GLU A 86 -10.201 -10.375 -8.105 1.00 24.04 H new ATOM 0 HG3 GLU A 86 -9.048 -9.454 -7.159 1.00 24.04 H new ATOM 1482 N GLY A 87 -7.603 -14.316 -7.741 1.00 21.24 N ATOM 1483 CA GLY A 87 -6.764 -15.507 -7.925 1.00 74.23 C ATOM 1484 C GLY A 87 -5.482 -15.256 -8.744 1.00 62.21 C ATOM 1485 O GLY A 87 -4.937 -16.212 -9.294 1.00 1.23 O ATOM 0 H GLY A 87 -8.434 -14.330 -8.332 1.00 21.24 H new ATOM 0 HA2 GLY A 87 -6.486 -15.897 -6.946 1.00 74.23 H new ATOM 0 HA3 GLY A 87 -7.353 -16.279 -8.420 1.00 74.23 H new ATOM 1489 N ASP A 88 -5.016 -13.999 -8.839 1.00 51.20 N ATOM 1490 CA ASP A 88 -3.841 -13.565 -9.596 1.00 31.33 C ATOM 1491 C ASP A 88 -2.837 -12.830 -8.674 1.00 53.45 C ATOM 1492 O ASP A 88 -2.010 -12.063 -9.164 1.00 63.51 O ATOM 1493 CB ASP A 88 -4.290 -12.690 -10.791 1.00 70.11 C ATOM 1494 CG ASP A 88 -3.231 -12.516 -11.886 1.00 60.23 C ATOM 1495 OD1 ASP A 88 -2.814 -13.554 -12.444 1.00 61.01 O ATOM 1496 OD2 ASP A 88 -2.910 -11.347 -12.193 1.00 44.22 O1- ATOM 0 H ASP A 88 -5.476 -13.222 -8.364 1.00 51.20 H new ATOM 0 HA ASP A 88 -3.320 -14.436 -9.995 1.00 31.33 H new ATOM 0 HB2 ASP A 88 -5.182 -13.132 -11.234 1.00 70.11 H new ATOM 0 HB3 ASP A 88 -4.574 -11.706 -10.418 1.00 70.11 H new ATOM 1501 N ASN A 89 -2.898 -13.084 -7.353 1.00 44.15 N ATOM 1502 CA ASN A 89 -2.038 -12.480 -6.319 1.00 32.45 C ATOM 1503 C ASN A 89 -2.344 -10.980 -6.100 1.00 53.43 C ATOM 1504 O ASN A 89 -1.430 -10.223 -5.771 1.00 3.32 O ATOM 1505 CB ASN A 89 -0.512 -12.661 -6.584 1.00 21.54 C ATOM 1506 CG ASN A 89 -0.054 -13.982 -7.202 1.00 25.31 C ATOM 1507 OD1 ASN A 89 -0.590 -15.048 -6.907 1.00 53.32 O ATOM 1508 ND2 ASN A 89 0.950 -13.900 -8.078 1.00 2.41 N ATOM 0 H ASN A 89 -3.574 -13.741 -6.962 1.00 44.15 H new ATOM 0 HA ASN A 89 -2.283 -13.032 -5.412 1.00 32.45 H new ATOM 0 HB2 ASN A 89 -0.186 -11.853 -7.239 1.00 21.54 H new ATOM 0 HB3 ASN A 89 0.011 -12.534 -5.636 1.00 21.54 H new ATOM 0 HD21 ASN A 89 1.301 -14.743 -8.532 1.00 2.41 H new ATOM 0 HD22 ASN A 89 1.366 -12.994 -8.294 1.00 2.41 H new ATOM 1515 N LYS A 90 -3.607 -10.569 -6.310 1.00 32.00 N ATOM 1516 CA LYS A 90 -4.035 -9.168 -6.270 1.00 75.42 C ATOM 1517 C LYS A 90 -4.976 -8.931 -5.080 1.00 54.10 C ATOM 1518 O LYS A 90 -5.750 -9.821 -4.731 1.00 42.13 O ATOM 1519 CB LYS A 90 -4.763 -8.809 -7.584 1.00 23.24 C ATOM 1520 CG LYS A 90 -3.918 -8.995 -8.860 1.00 64.21 C ATOM 1521 CD LYS A 90 -4.746 -8.912 -10.154 1.00 11.12 C ATOM 1522 CE LYS A 90 -5.032 -7.484 -10.632 1.00 74.24 C ATOM 1523 NZ LYS A 90 -3.917 -6.976 -11.450 1.00 4.04 N1+ ATOM 0 H LYS A 90 -4.369 -11.216 -6.515 1.00 32.00 H new ATOM 0 HA LYS A 90 -3.155 -8.535 -6.155 1.00 75.42 H new ATOM 0 HB2 LYS A 90 -5.660 -9.423 -7.666 1.00 23.24 H new ATOM 0 HB3 LYS A 90 -5.091 -7.771 -7.530 1.00 23.24 H new ATOM 0 HG2 LYS A 90 -3.139 -8.233 -8.886 1.00 64.21 H new ATOM 0 HG3 LYS A 90 -3.417 -9.962 -8.818 1.00 64.21 H new ATOM 0 HD2 LYS A 90 -4.219 -9.448 -10.943 1.00 11.12 H new ATOM 0 HD3 LYS A 90 -5.694 -9.427 -9.998 1.00 11.12 H new ATOM 0 HE2 LYS A 90 -5.954 -7.468 -11.214 1.00 74.24 H new ATOM 0 HE3 LYS A 90 -5.186 -6.831 -9.773 1.00 74.24 H new ATOM 0 HZ1 LYS A 90 -3.873 -5.940 -11.371 1.00 4.04 H new ATOM 0 HZ2 LYS A 90 -3.023 -7.388 -11.113 1.00 4.04 H new ATOM 0 HZ3 LYS A 90 -4.067 -7.241 -12.444 1.00 4.04 H new ATOM 1537 N LEU A 91 -4.923 -7.709 -4.529 1.00 63.34 N ATOM 1538 CA LEU A 91 -5.884 -7.167 -3.562 1.00 44.30 C ATOM 1539 C LEU A 91 -6.491 -5.883 -4.146 1.00 43.45 C ATOM 1540 O LEU A 91 -5.824 -5.191 -4.914 1.00 4.52 O ATOM 1541 CB LEU A 91 -5.173 -6.827 -2.233 1.00 2.44 C ATOM 1542 CG LEU A 91 -4.777 -8.025 -1.346 1.00 15.32 C ATOM 1543 CD1 LEU A 91 -3.687 -7.643 -0.327 1.00 0.34 C ATOM 1544 CD2 LEU A 91 -5.996 -8.627 -0.633 1.00 64.04 C ATOM 0 H LEU A 91 -4.180 -7.047 -4.755 1.00 63.34 H new ATOM 0 HA LEU A 91 -6.660 -7.907 -3.369 1.00 44.30 H new ATOM 0 HB2 LEU A 91 -4.272 -6.258 -2.462 1.00 2.44 H new ATOM 0 HB3 LEU A 91 -5.824 -6.173 -1.654 1.00 2.44 H new ATOM 0 HG LEU A 91 -4.364 -8.786 -2.009 1.00 15.32 H new ATOM 0 HD11 LEU A 91 -3.435 -8.513 0.279 1.00 0.34 H new ATOM 0 HD12 LEU A 91 -2.798 -7.300 -0.856 1.00 0.34 H new ATOM 0 HD13 LEU A 91 -4.056 -6.846 0.318 1.00 0.34 H new ATOM 0 HD21 LEU A 91 -5.678 -9.469 -0.017 1.00 64.04 H new ATOM 0 HD22 LEU A 91 -6.459 -7.869 -0.001 1.00 64.04 H new ATOM 0 HD23 LEU A 91 -6.718 -8.971 -1.374 1.00 64.04 H new ATOM 1556 N VAL A 92 -7.734 -5.574 -3.742 1.00 1.53 N ATOM 1557 CA VAL A 92 -8.455 -4.361 -4.132 1.00 34.04 C ATOM 1558 C VAL A 92 -9.273 -3.858 -2.927 1.00 1.21 C ATOM 1559 O VAL A 92 -10.052 -4.629 -2.367 1.00 60.13 O ATOM 1560 CB VAL A 92 -9.435 -4.611 -5.322 1.00 62.55 C ATOM 1561 CG1 VAL A 92 -10.245 -3.360 -5.727 1.00 20.11 C ATOM 1562 CG2 VAL A 92 -8.725 -5.179 -6.567 1.00 51.23 C ATOM 0 H VAL A 92 -8.274 -6.177 -3.121 1.00 1.53 H new ATOM 0 HA VAL A 92 -7.716 -3.626 -4.450 1.00 34.04 H new ATOM 0 HB VAL A 92 -10.133 -5.356 -4.941 1.00 62.55 H new ATOM 0 HG11 VAL A 92 -10.904 -3.607 -6.559 1.00 20.11 H new ATOM 0 HG12 VAL A 92 -10.841 -3.022 -4.879 1.00 20.11 H new ATOM 0 HG13 VAL A 92 -9.562 -2.566 -6.029 1.00 20.11 H new ATOM 0 HG21 VAL A 92 -9.454 -5.333 -7.363 1.00 51.23 H new ATOM 0 HG22 VAL A 92 -7.963 -4.476 -6.904 1.00 51.23 H new ATOM 0 HG23 VAL A 92 -8.255 -6.130 -6.316 1.00 51.23 H new ATOM 1572 N THR A 93 -9.118 -2.569 -2.584 1.00 62.12 N ATOM 1573 CA THR A 93 -9.886 -1.885 -1.539 1.00 15.25 C ATOM 1574 C THR A 93 -10.110 -0.412 -1.922 1.00 24.45 C ATOM 1575 O THR A 93 -9.225 0.203 -2.513 1.00 31.45 O ATOM 1576 CB THR A 93 -9.197 -1.973 -0.146 1.00 54.24 C ATOM 1577 OG1 THR A 93 -9.964 -1.298 0.835 1.00 74.54 O ATOM 1578 CG2 THR A 93 -7.772 -1.395 -0.074 1.00 53.44 C ATOM 0 H THR A 93 -8.437 -1.961 -3.039 1.00 62.12 H new ATOM 0 HA THR A 93 -10.847 -2.394 -1.461 1.00 15.25 H new ATOM 0 HB THR A 93 -9.128 -3.045 0.038 1.00 54.24 H new ATOM 0 HG1 THR A 93 -9.494 -0.485 1.115 1.00 74.54 H new ATOM 0 HG21 THR A 93 -7.385 -1.507 0.939 1.00 53.44 H new ATOM 0 HG22 THR A 93 -7.127 -1.930 -0.770 1.00 53.44 H new ATOM 0 HG23 THR A 93 -7.794 -0.338 -0.339 1.00 53.44 H new ATOM 1586 N THR A 94 -11.295 0.123 -1.584 1.00 1.14 N ATOM 1587 CA THR A 94 -11.702 1.482 -1.942 1.00 54.14 C ATOM 1588 C THR A 94 -12.108 2.257 -0.677 1.00 52.11 C ATOM 1589 O THR A 94 -13.018 1.822 0.027 1.00 1.32 O ATOM 1590 CB THR A 94 -12.903 1.467 -2.923 1.00 44.02 C ATOM 1591 OG1 THR A 94 -12.623 0.600 -4.006 1.00 73.45 O ATOM 1592 CG2 THR A 94 -13.236 2.849 -3.513 1.00 1.00 C ATOM 0 H THR A 94 -12.000 -0.385 -1.050 1.00 1.14 H new ATOM 0 HA THR A 94 -10.854 1.967 -2.427 1.00 54.14 H new ATOM 0 HB THR A 94 -13.760 1.133 -2.338 1.00 44.02 H new ATOM 0 HG1 THR A 94 -13.384 0.591 -4.623 1.00 73.45 H new ATOM 0 HG21 THR A 94 -14.086 2.761 -4.190 1.00 1.00 H new ATOM 0 HG22 THR A 94 -13.484 3.539 -2.706 1.00 1.00 H new ATOM 0 HG23 THR A 94 -12.374 3.228 -4.062 1.00 1.00 H new ATOM 1600 N PHE A 95 -11.422 3.376 -0.405 1.00 44.12 N ATOM 1601 CA PHE A 95 -11.571 4.161 0.824 1.00 32.54 C ATOM 1602 C PHE A 95 -11.428 5.653 0.506 1.00 11.00 C ATOM 1603 O PHE A 95 -10.430 6.032 -0.092 1.00 2.23 O ATOM 1604 CB PHE A 95 -10.546 3.667 1.879 1.00 13.41 C ATOM 1605 CG PHE A 95 -9.073 3.680 1.488 1.00 33.31 C ATOM 1606 CD1 PHE A 95 -8.294 4.844 1.660 1.00 3.42 C ATOM 1607 CD2 PHE A 95 -8.507 2.574 0.818 1.00 22.23 C ATOM 1608 CE1 PHE A 95 -6.981 4.880 1.209 1.00 43.40 C ATOM 1609 CE2 PHE A 95 -7.187 2.626 0.394 1.00 44.41 C ATOM 1610 CZ PHE A 95 -6.428 3.774 0.581 1.00 64.14 C ATOM 0 H PHE A 95 -10.734 3.767 -1.048 1.00 44.12 H new ATOM 0 HA PHE A 95 -12.565 4.022 1.249 1.00 32.54 H new ATOM 0 HB2 PHE A 95 -10.662 4.279 2.773 1.00 13.41 H new ATOM 0 HB3 PHE A 95 -10.812 2.646 2.154 1.00 13.41 H new ATOM 0 HD1 PHE A 95 -8.720 5.710 2.144 1.00 3.42 H new ATOM 0 HD2 PHE A 95 -9.100 1.690 0.636 1.00 22.23 H new ATOM 0 HE1 PHE A 95 -6.389 5.772 1.348 1.00 43.40 H new ATOM 0 HE2 PHE A 95 -6.745 1.765 -0.086 1.00 44.41 H new ATOM 0 HZ PHE A 95 -5.405 3.805 0.237 1.00 64.14 H new ATOM 1620 N LYS A 96 -12.412 6.488 0.895 1.00 41.51 N ATOM 1621 CA LYS A 96 -12.416 7.952 0.683 1.00 2.14 C ATOM 1622 C LYS A 96 -12.333 8.358 -0.815 1.00 73.30 C ATOM 1623 O LYS A 96 -11.768 9.406 -1.128 1.00 44.31 O ATOM 1624 CB LYS A 96 -11.297 8.633 1.526 1.00 54.30 C ATOM 1625 CG LYS A 96 -11.385 8.383 3.045 1.00 52.21 C ATOM 1626 CD LYS A 96 -10.079 8.690 3.800 1.00 65.24 C ATOM 1627 CE LYS A 96 -9.637 10.161 3.815 1.00 44.02 C ATOM 1628 NZ LYS A 96 -10.566 11.006 4.583 1.00 40.12 N1+ ATOM 0 H LYS A 96 -13.247 6.156 1.377 1.00 41.51 H new ATOM 0 HA LYS A 96 -13.383 8.316 1.032 1.00 2.14 H new ATOM 0 HB2 LYS A 96 -10.329 8.281 1.170 1.00 54.30 H new ATOM 0 HB3 LYS A 96 -11.331 9.708 1.347 1.00 54.30 H new ATOM 0 HG2 LYS A 96 -12.186 8.995 3.459 1.00 52.21 H new ATOM 0 HG3 LYS A 96 -11.658 7.342 3.218 1.00 52.21 H new ATOM 0 HD2 LYS A 96 -10.192 8.355 4.831 1.00 65.24 H new ATOM 0 HD3 LYS A 96 -9.279 8.096 3.358 1.00 65.24 H new ATOM 0 HE2 LYS A 96 -8.638 10.236 4.245 1.00 44.02 H new ATOM 0 HE3 LYS A 96 -9.572 10.531 2.792 1.00 44.02 H new ATOM 0 HZ1 LYS A 96 -10.025 11.644 5.201 1.00 40.12 H new ATOM 0 HZ2 LYS A 96 -11.146 11.568 3.928 1.00 40.12 H new ATOM 0 HZ3 LYS A 96 -11.184 10.404 5.163 1.00 40.12 H new ATOM 1642 N ASN A 97 -12.857 7.496 -1.710 1.00 34.43 N ATOM 1643 CA ASN A 97 -12.746 7.551 -3.178 1.00 42.31 C ATOM 1644 C ASN A 97 -11.341 7.188 -3.728 1.00 20.05 C ATOM 1645 O ASN A 97 -11.136 7.275 -4.939 1.00 24.34 O ATOM 1646 CB ASN A 97 -13.261 8.906 -3.744 1.00 63.24 C ATOM 1647 CG ASN A 97 -13.812 8.835 -5.175 1.00 72.01 C ATOM 1648 OD1 ASN A 97 -14.531 7.904 -5.533 1.00 41.54 O ATOM 1649 ND2 ASN A 97 -13.488 9.834 -5.998 1.00 21.54 N ATOM 0 H ASN A 97 -13.404 6.691 -1.404 1.00 34.43 H new ATOM 0 HA ASN A 97 -13.403 6.762 -3.544 1.00 42.31 H new ATOM 0 HB2 ASN A 97 -14.043 9.285 -3.086 1.00 63.24 H new ATOM 0 HB3 ASN A 97 -12.445 9.628 -3.719 1.00 63.24 H new ATOM 0 HD21 ASN A 97 -13.839 9.840 -6.956 1.00 21.54 H new ATOM 0 HD22 ASN A 97 -12.889 10.592 -5.670 1.00 21.54 H new ATOM 1656 N ILE A 98 -10.410 6.757 -2.860 1.00 51.10 N ATOM 1657 CA ILE A 98 -9.075 6.279 -3.225 1.00 11.54 C ATOM 1658 C ILE A 98 -9.180 4.772 -3.536 1.00 44.12 C ATOM 1659 O ILE A 98 -9.269 3.957 -2.616 1.00 21.33 O ATOM 1660 CB ILE A 98 -8.031 6.496 -2.081 1.00 12.20 C ATOM 1661 CG1 ILE A 98 -7.959 7.972 -1.622 1.00 4.40 C ATOM 1662 CG2 ILE A 98 -6.622 5.996 -2.449 1.00 73.41 C ATOM 1663 CD1 ILE A 98 -7.415 8.172 -0.202 1.00 25.24 C ATOM 0 H ILE A 98 -10.576 6.733 -1.854 1.00 51.10 H new ATOM 0 HA ILE A 98 -8.729 6.847 -4.089 1.00 11.54 H new ATOM 0 HB ILE A 98 -8.394 5.891 -1.250 1.00 12.20 H new ATOM 0 HG12 ILE A 98 -7.330 8.526 -2.319 1.00 4.40 H new ATOM 0 HG13 ILE A 98 -8.957 8.406 -1.679 1.00 4.40 H new ATOM 0 HG21 ILE A 98 -5.943 6.175 -1.615 1.00 73.41 H new ATOM 0 HG22 ILE A 98 -6.660 4.928 -2.664 1.00 73.41 H new ATOM 0 HG23 ILE A 98 -6.264 6.531 -3.329 1.00 73.41 H new ATOM 0 HD11 ILE A 98 -7.400 9.236 0.035 1.00 25.24 H new ATOM 0 HD12 ILE A 98 -8.055 7.650 0.510 1.00 25.24 H new ATOM 0 HD13 ILE A 98 -6.403 7.772 -0.140 1.00 25.24 H new ATOM 1675 N LYS A 99 -9.200 4.450 -4.838 1.00 23.23 N ATOM 1676 CA LYS A 99 -9.307 3.101 -5.394 1.00 5.21 C ATOM 1677 C LYS A 99 -7.923 2.428 -5.392 1.00 52.23 C ATOM 1678 O LYS A 99 -7.228 2.459 -6.408 1.00 5.11 O ATOM 1679 CB LYS A 99 -9.913 3.241 -6.813 1.00 24.03 C ATOM 1680 CG LYS A 99 -10.154 1.949 -7.617 1.00 41.04 C ATOM 1681 CD LYS A 99 -11.379 1.157 -7.149 1.00 15.11 C ATOM 1682 CE LYS A 99 -11.725 0.004 -8.101 1.00 4.42 C ATOM 1683 NZ LYS A 99 -13.004 -0.624 -7.735 1.00 61.23 N1+ ATOM 0 H LYS A 99 -9.139 5.163 -5.565 1.00 23.23 H new ATOM 0 HA LYS A 99 -9.956 2.459 -4.798 1.00 5.21 H new ATOM 0 HB2 LYS A 99 -10.866 3.762 -6.721 1.00 24.03 H new ATOM 0 HB3 LYS A 99 -9.254 3.883 -7.398 1.00 24.03 H new ATOM 0 HG2 LYS A 99 -10.276 2.203 -8.670 1.00 41.04 H new ATOM 0 HG3 LYS A 99 -9.271 1.314 -7.543 1.00 41.04 H new ATOM 0 HD2 LYS A 99 -11.192 0.758 -6.152 1.00 15.11 H new ATOM 0 HD3 LYS A 99 -12.234 1.828 -7.069 1.00 15.11 H new ATOM 0 HE2 LYS A 99 -11.780 0.378 -9.124 1.00 4.42 H new ATOM 0 HE3 LYS A 99 -10.931 -0.742 -8.076 1.00 4.42 H new ATOM 0 HZ1 LYS A 99 -13.212 -1.400 -8.396 1.00 61.23 H new ATOM 0 HZ2 LYS A 99 -12.942 -1.001 -6.768 1.00 61.23 H new ATOM 0 HZ3 LYS A 99 -13.764 0.084 -7.782 1.00 61.23 H new ATOM 1697 N SER A 100 -7.537 1.857 -4.240 1.00 12.14 N ATOM 1698 CA SER A 100 -6.289 1.118 -4.077 1.00 4.03 C ATOM 1699 C SER A 100 -6.376 -0.284 -4.699 1.00 14.30 C ATOM 1700 O SER A 100 -7.370 -0.986 -4.516 1.00 34.33 O ATOM 1701 CB SER A 100 -5.906 1.064 -2.587 1.00 31.31 C ATOM 1702 OG SER A 100 -4.682 0.385 -2.372 1.00 30.12 O ATOM 0 H SER A 100 -8.096 1.900 -3.388 1.00 12.14 H new ATOM 0 HA SER A 100 -5.500 1.644 -4.614 1.00 4.03 H new ATOM 0 HB2 SER A 100 -5.830 2.079 -2.197 1.00 31.31 H new ATOM 0 HB3 SER A 100 -6.698 0.566 -2.028 1.00 31.31 H new ATOM 0 HG SER A 100 -4.477 0.376 -1.414 1.00 30.12 H new ATOM 1708 N VAL A 101 -5.297 -0.657 -5.395 1.00 15.43 N ATOM 1709 CA VAL A 101 -5.045 -1.987 -5.930 1.00 41.42 C ATOM 1710 C VAL A 101 -3.583 -2.333 -5.595 1.00 73.31 C ATOM 1711 O VAL A 101 -2.701 -1.499 -5.797 1.00 50.41 O ATOM 1712 CB VAL A 101 -5.242 -2.039 -7.474 1.00 74.23 C ATOM 1713 CG1 VAL A 101 -4.902 -3.411 -8.094 1.00 15.41 C ATOM 1714 CG2 VAL A 101 -6.671 -1.630 -7.881 1.00 33.25 C ATOM 0 H VAL A 101 -4.543 -0.004 -5.607 1.00 15.43 H new ATOM 0 HA VAL A 101 -5.748 -2.695 -5.491 1.00 41.42 H new ATOM 0 HB VAL A 101 -4.531 -1.316 -7.873 1.00 74.23 H new ATOM 0 HG11 VAL A 101 -5.062 -3.373 -9.171 1.00 15.41 H new ATOM 0 HG12 VAL A 101 -3.859 -3.654 -7.891 1.00 15.41 H new ATOM 0 HG13 VAL A 101 -5.544 -4.176 -7.658 1.00 15.41 H new ATOM 0 HG21 VAL A 101 -6.769 -1.679 -8.966 1.00 33.25 H new ATOM 0 HG22 VAL A 101 -7.389 -2.309 -7.421 1.00 33.25 H new ATOM 0 HG23 VAL A 101 -6.868 -0.612 -7.545 1.00 33.25 H new ATOM 1724 N THR A 102 -3.358 -3.554 -5.092 1.00 24.33 N ATOM 1725 CA THR A 102 -2.033 -4.095 -4.780 1.00 33.12 C ATOM 1726 C THR A 102 -1.835 -5.405 -5.558 1.00 23.12 C ATOM 1727 O THR A 102 -2.822 -6.070 -5.870 1.00 43.43 O ATOM 1728 CB THR A 102 -1.889 -4.419 -3.267 1.00 41.33 C ATOM 1729 OG1 THR A 102 -2.314 -3.320 -2.488 1.00 45.21 O ATOM 1730 CG2 THR A 102 -0.464 -4.793 -2.810 1.00 31.04 C ATOM 0 H THR A 102 -4.113 -4.208 -4.886 1.00 24.33 H new ATOM 0 HA THR A 102 -1.292 -3.345 -5.056 1.00 33.12 H new ATOM 0 HB THR A 102 -2.516 -5.298 -3.118 1.00 41.33 H new ATOM 0 HG1 THR A 102 -1.649 -2.603 -2.544 1.00 45.21 H new ATOM 0 HG21 THR A 102 -0.468 -5.001 -1.740 1.00 31.04 H new ATOM 0 HG22 THR A 102 -0.129 -5.678 -3.351 1.00 31.04 H new ATOM 0 HG23 THR A 102 0.213 -3.964 -3.016 1.00 31.04 H new ATOM 1738 N GLU A 103 -0.574 -5.758 -5.851 1.00 42.30 N ATOM 1739 CA GLU A 103 -0.221 -6.989 -6.546 1.00 44.25 C ATOM 1740 C GLU A 103 1.160 -7.477 -6.094 1.00 51.33 C ATOM 1741 O GLU A 103 2.148 -6.763 -6.264 1.00 41.11 O ATOM 1742 CB GLU A 103 -0.334 -6.773 -8.070 1.00 1.24 C ATOM 1743 CG GLU A 103 0.061 -7.985 -8.934 1.00 23.53 C ATOM 1744 CD GLU A 103 -0.110 -7.660 -10.415 1.00 32.14 C ATOM 1745 OE1 GLU A 103 0.902 -7.262 -11.030 1.00 13.35 O ATOM 1746 OE2 GLU A 103 -1.258 -7.779 -10.895 1.00 63.03 O1- ATOM 0 H GLU A 103 0.233 -5.185 -5.606 1.00 42.30 H new ATOM 0 HA GLU A 103 -0.920 -7.785 -6.289 1.00 44.25 H new ATOM 0 HB2 GLU A 103 -1.362 -6.498 -8.307 1.00 1.24 H new ATOM 0 HB3 GLU A 103 0.295 -5.928 -8.349 1.00 1.24 H new ATOM 0 HG2 GLU A 103 1.096 -8.261 -8.733 1.00 23.53 H new ATOM 0 HG3 GLU A 103 -0.555 -8.844 -8.670 1.00 23.53 H new ATOM 1753 N LEU A 104 1.192 -8.712 -5.573 1.00 12.24 N ATOM 1754 CA LEU A 104 2.401 -9.486 -5.302 1.00 3.33 C ATOM 1755 C LEU A 104 2.856 -10.176 -6.600 1.00 4.31 C ATOM 1756 O LEU A 104 2.031 -10.744 -7.316 1.00 24.51 O ATOM 1757 CB LEU A 104 2.078 -10.479 -4.161 1.00 50.23 C ATOM 1758 CG LEU A 104 3.102 -11.607 -3.894 1.00 42.43 C ATOM 1759 CD1 LEU A 104 4.419 -11.082 -3.305 1.00 52.40 C ATOM 1760 CD2 LEU A 104 2.478 -12.670 -2.984 1.00 40.33 C ATOM 0 H LEU A 104 0.341 -9.214 -5.321 1.00 12.24 H new ATOM 0 HA LEU A 104 3.230 -8.858 -4.976 1.00 3.33 H new ATOM 0 HB2 LEU A 104 1.957 -9.908 -3.240 1.00 50.23 H new ATOM 0 HB3 LEU A 104 1.115 -10.941 -4.378 1.00 50.23 H new ATOM 0 HG LEU A 104 3.354 -12.057 -4.854 1.00 42.43 H new ATOM 0 HD11 LEU A 104 5.101 -11.916 -3.138 1.00 52.40 H new ATOM 0 HD12 LEU A 104 4.873 -10.376 -4.001 1.00 52.40 H new ATOM 0 HD13 LEU A 104 4.220 -10.581 -2.358 1.00 52.40 H new ATOM 0 HD21 LEU A 104 3.204 -13.462 -2.799 1.00 40.33 H new ATOM 0 HD22 LEU A 104 2.189 -12.214 -2.037 1.00 40.33 H new ATOM 0 HD23 LEU A 104 1.597 -13.091 -3.468 1.00 40.33 H new ATOM 1772 N ASN A 105 4.165 -10.121 -6.874 1.00 14.25 N ATOM 1773 CA ASN A 105 4.761 -10.628 -8.104 1.00 22.34 C ATOM 1774 C ASN A 105 6.150 -11.187 -7.765 1.00 31.52 C ATOM 1775 O ASN A 105 7.156 -10.497 -7.925 1.00 42.33 O ATOM 1776 CB ASN A 105 4.768 -9.505 -9.181 1.00 62.45 C ATOM 1777 CG ASN A 105 4.252 -9.996 -10.532 1.00 34.21 C ATOM 1778 OD1 ASN A 105 5.041 -10.299 -11.424 1.00 21.24 O ATOM 1779 ND2 ASN A 105 2.929 -10.075 -10.690 1.00 62.21 N ATOM 0 H ASN A 105 4.846 -9.715 -6.233 1.00 14.25 H new ATOM 0 HA ASN A 105 4.182 -11.445 -8.535 1.00 22.34 H new ATOM 0 HB2 ASN A 105 4.152 -8.673 -8.840 1.00 62.45 H new ATOM 0 HB3 ASN A 105 5.782 -9.123 -9.299 1.00 62.45 H new ATOM 0 HD21 ASN A 105 2.540 -10.396 -11.576 1.00 62.21 H new ATOM 0 HD22 ASN A 105 2.307 -9.814 -9.924 1.00 62.21 H new ATOM 1786 N GLY A 106 6.162 -12.431 -7.250 1.00 23.14 N ATOM 1787 CA GLY A 106 7.364 -13.115 -6.779 1.00 31.34 C ATOM 1788 C GLY A 106 7.802 -12.487 -5.453 1.00 2.33 C ATOM 1789 O GLY A 106 7.187 -12.731 -4.416 1.00 44.23 O ATOM 0 H GLY A 106 5.316 -12.993 -7.151 1.00 23.14 H new ATOM 0 HA2 GLY A 106 7.165 -14.178 -6.645 1.00 31.34 H new ATOM 0 HA3 GLY A 106 8.161 -13.030 -7.518 1.00 31.34 H new ATOM 1793 N ASP A 107 8.872 -11.683 -5.521 1.00 52.25 N ATOM 1794 CA ASP A 107 9.460 -10.922 -4.414 1.00 15.31 C ATOM 1795 C ASP A 107 9.087 -9.423 -4.456 1.00 53.11 C ATOM 1796 O ASP A 107 9.511 -8.682 -3.570 1.00 64.54 O ATOM 1797 CB ASP A 107 11.001 -11.066 -4.404 1.00 73.33 C ATOM 1798 CG ASP A 107 11.520 -12.506 -4.417 1.00 71.23 C ATOM 1799 OD1 ASP A 107 10.913 -13.349 -3.721 1.00 43.31 O ATOM 1800 OD2 ASP A 107 12.581 -12.715 -5.044 1.00 42.41 O1- ATOM 0 H ASP A 107 9.376 -11.540 -6.396 1.00 52.25 H new ATOM 0 HA ASP A 107 9.043 -11.344 -3.499 1.00 15.31 H new ATOM 0 HB2 ASP A 107 11.405 -10.543 -5.271 1.00 73.33 H new ATOM 0 HB3 ASP A 107 11.391 -10.564 -3.519 1.00 73.33 H new ATOM 1805 N ILE A 108 8.350 -8.986 -5.491 1.00 11.24 N ATOM 1806 CA ILE A 108 8.125 -7.577 -5.812 1.00 74.42 C ATOM 1807 C ILE A 108 6.660 -7.212 -5.512 1.00 20.20 C ATOM 1808 O ILE A 108 5.766 -7.991 -5.841 1.00 10.32 O ATOM 1809 CB ILE A 108 8.388 -7.309 -7.328 1.00 32.54 C ATOM 1810 CG1 ILE A 108 9.676 -7.988 -7.863 1.00 52.31 C ATOM 1811 CG2 ILE A 108 8.394 -5.805 -7.676 1.00 72.23 C ATOM 1812 CD1 ILE A 108 10.973 -7.579 -7.152 1.00 15.22 C ATOM 0 H ILE A 108 7.886 -9.622 -6.139 1.00 11.24 H new ATOM 0 HA ILE A 108 8.807 -6.976 -5.210 1.00 74.42 H new ATOM 0 HB ILE A 108 7.542 -7.772 -7.836 1.00 32.54 H new ATOM 0 HG12 ILE A 108 9.560 -9.069 -7.779 1.00 52.31 H new ATOM 0 HG13 ILE A 108 9.774 -7.759 -8.924 1.00 52.31 H new ATOM 0 HG21 ILE A 108 8.581 -5.679 -8.742 1.00 72.23 H new ATOM 0 HG22 ILE A 108 7.427 -5.369 -7.423 1.00 72.23 H new ATOM 0 HG23 ILE A 108 9.178 -5.303 -7.108 1.00 72.23 H new ATOM 0 HD11 ILE A 108 11.815 -8.108 -7.599 1.00 15.22 H new ATOM 0 HD12 ILE A 108 11.122 -6.504 -7.257 1.00 15.22 H new ATOM 0 HD13 ILE A 108 10.904 -7.834 -6.094 1.00 15.22 H new ATOM 1824 N ILE A 109 6.445 -6.038 -4.901 1.00 41.02 N ATOM 1825 CA ILE A 109 5.123 -5.524 -4.543 1.00 74.12 C ATOM 1826 C ILE A 109 4.846 -4.251 -5.356 1.00 72.34 C ATOM 1827 O ILE A 109 5.455 -3.210 -5.105 1.00 74.32 O ATOM 1828 CB ILE A 109 5.019 -5.188 -3.024 1.00 0.14 C ATOM 1829 CG1 ILE A 109 5.305 -6.412 -2.133 1.00 55.55 C ATOM 1830 CG2 ILE A 109 3.679 -4.531 -2.621 1.00 35.50 C ATOM 1831 CD1 ILE A 109 4.393 -7.624 -2.360 1.00 62.41 C ATOM 0 H ILE A 109 7.204 -5.409 -4.638 1.00 41.02 H new ATOM 0 HA ILE A 109 4.389 -6.298 -4.767 1.00 74.12 H new ATOM 0 HB ILE A 109 5.799 -4.446 -2.852 1.00 0.14 H new ATOM 0 HG12 ILE A 109 6.338 -6.722 -2.293 1.00 55.55 H new ATOM 0 HG13 ILE A 109 5.221 -6.107 -1.090 1.00 55.55 H new ATOM 0 HG21 ILE A 109 3.681 -4.327 -1.550 1.00 35.50 H new ATOM 0 HG22 ILE A 109 3.553 -3.597 -3.168 1.00 35.50 H new ATOM 0 HG23 ILE A 109 2.857 -5.205 -2.860 1.00 35.50 H new ATOM 0 HD11 ILE A 109 4.681 -8.428 -1.682 1.00 62.41 H new ATOM 0 HD12 ILE A 109 3.358 -7.341 -2.169 1.00 62.41 H new ATOM 0 HD13 ILE A 109 4.492 -7.966 -3.390 1.00 62.41 H new ATOM 1843 N THR A 110 3.898 -4.367 -6.293 1.00 52.21 N ATOM 1844 CA THR A 110 3.312 -3.244 -7.017 1.00 55.31 C ATOM 1845 C THR A 110 2.089 -2.732 -6.234 1.00 60.14 C ATOM 1846 O THR A 110 1.330 -3.536 -5.693 1.00 33.00 O ATOM 1847 CB THR A 110 2.832 -3.691 -8.425 1.00 23.34 C ATOM 1848 OG1 THR A 110 3.947 -4.144 -9.167 1.00 43.22 O ATOM 1849 CG2 THR A 110 2.123 -2.607 -9.263 1.00 74.24 C ATOM 0 H THR A 110 3.511 -5.268 -6.572 1.00 52.21 H new ATOM 0 HA THR A 110 4.066 -2.464 -7.123 1.00 55.31 H new ATOM 0 HB THR A 110 2.092 -4.469 -8.238 1.00 23.34 H new ATOM 0 HG1 THR A 110 3.653 -4.430 -10.057 1.00 43.22 H new ATOM 0 HG21 THR A 110 1.830 -3.025 -10.226 1.00 74.24 H new ATOM 0 HG22 THR A 110 1.236 -2.260 -8.733 1.00 74.24 H new ATOM 0 HG23 THR A 110 2.801 -1.769 -9.423 1.00 74.24 H new ATOM 1857 N ASN A 111 1.916 -1.404 -6.216 1.00 41.41 N ATOM 1858 CA ASN A 111 0.755 -0.703 -5.669 1.00 23.41 C ATOM 1859 C ASN A 111 0.351 0.396 -6.657 1.00 62.20 C ATOM 1860 O ASN A 111 1.204 0.997 -7.308 1.00 20.43 O ATOM 1861 CB ASN A 111 1.115 -0.119 -4.281 1.00 72.21 C ATOM 1862 CG ASN A 111 0.865 -1.074 -3.117 1.00 71.22 C ATOM 1863 OD1 ASN A 111 -0.360 -1.074 -2.592 1.00 2.22 O flip ATOM 1864 ND2 ASN A 111 1.768 -1.783 -2.683 1.00 23.45 N flip ATOM 0 H ASN A 111 2.613 -0.765 -6.599 1.00 41.41 H new ATOM 0 HA ASN A 111 -0.087 -1.382 -5.534 1.00 23.41 H new ATOM 0 HB2 ASN A 111 2.167 0.168 -4.282 1.00 72.21 H new ATOM 0 HB3 ASN A 111 0.536 0.791 -4.121 1.00 72.21 H new ATOM 0 HD21 ASN A 111 2.692 -1.753 -3.114 1.00 23.45 H new ATOM 0 HD22 ASN A 111 1.594 -2.402 -1.891 1.00 23.45 H new ATOM 1871 N THR A 112 -0.961 0.645 -6.723 1.00 33.00 N ATOM 1872 CA THR A 112 -1.591 1.725 -7.476 1.00 72.14 C ATOM 1873 C THR A 112 -2.776 2.237 -6.645 1.00 63.23 C ATOM 1874 O THR A 112 -3.451 1.430 -6.008 1.00 44.44 O ATOM 1875 CB THR A 112 -2.120 1.230 -8.854 1.00 60.33 C ATOM 1876 OG1 THR A 112 -1.023 0.833 -9.653 1.00 13.12 O ATOM 1877 CG2 THR A 112 -2.929 2.253 -9.677 1.00 12.21 C ATOM 0 H THR A 112 -1.642 0.069 -6.228 1.00 33.00 H new ATOM 0 HA THR A 112 -0.856 2.508 -7.662 1.00 72.14 H new ATOM 0 HB THR A 112 -2.805 0.419 -8.607 1.00 60.33 H new ATOM 0 HG1 THR A 112 -1.348 0.518 -10.522 1.00 13.12 H new ATOM 0 HG21 THR A 112 -3.245 1.797 -10.615 1.00 12.21 H new ATOM 0 HG22 THR A 112 -3.807 2.563 -9.111 1.00 12.21 H new ATOM 0 HG23 THR A 112 -2.308 3.123 -9.888 1.00 12.21 H new ATOM 1885 N MET A 113 -3.013 3.557 -6.658 1.00 11.55 N ATOM 1886 CA MET A 113 -4.166 4.189 -6.017 1.00 52.41 C ATOM 1887 C MET A 113 -4.727 5.259 -6.957 1.00 43.21 C ATOM 1888 O MET A 113 -3.994 6.173 -7.326 1.00 62.25 O ATOM 1889 CB MET A 113 -3.789 4.801 -4.652 1.00 24.04 C ATOM 1890 CG MET A 113 -3.200 3.823 -3.626 1.00 35.13 C ATOM 1891 SD MET A 113 -2.926 4.567 -1.996 1.00 42.04 S ATOM 1892 CE MET A 113 -2.559 3.083 -1.025 1.00 12.50 C ATOM 0 H MET A 113 -2.396 4.223 -7.123 1.00 11.55 H new ATOM 0 HA MET A 113 -4.926 3.432 -5.826 1.00 52.41 H new ATOM 0 HB2 MET A 113 -3.068 5.601 -4.820 1.00 24.04 H new ATOM 0 HB3 MET A 113 -4.679 5.259 -4.221 1.00 24.04 H new ATOM 0 HG2 MET A 113 -3.872 2.971 -3.520 1.00 35.13 H new ATOM 0 HG3 MET A 113 -2.254 3.437 -4.005 1.00 35.13 H new ATOM 0 HE1 MET A 113 -2.365 3.364 0.010 1.00 12.50 H new ATOM 0 HE2 MET A 113 -3.411 2.404 -1.063 1.00 12.50 H new ATOM 0 HE3 MET A 113 -1.680 2.587 -1.437 1.00 12.50 H new ATOM 1902 N THR A 114 -6.011 5.136 -7.322 1.00 70.23 N ATOM 1903 CA THR A 114 -6.670 6.054 -8.250 1.00 53.04 C ATOM 1904 C THR A 114 -7.756 6.858 -7.511 1.00 72.10 C ATOM 1905 O THR A 114 -8.765 6.286 -7.105 1.00 25.44 O ATOM 1906 CB THR A 114 -7.289 5.297 -9.455 1.00 25.24 C ATOM 1907 OG1 THR A 114 -6.279 4.545 -10.101 1.00 22.51 O ATOM 1908 CG2 THR A 114 -7.947 6.207 -10.507 1.00 60.41 C ATOM 0 H THR A 114 -6.620 4.393 -6.979 1.00 70.23 H new ATOM 0 HA THR A 114 -5.917 6.738 -8.640 1.00 53.04 H new ATOM 0 HB THR A 114 -8.075 4.668 -9.038 1.00 25.24 H new ATOM 0 HG1 THR A 114 -6.666 4.064 -10.862 1.00 22.51 H new ATOM 0 HG21 THR A 114 -8.353 5.596 -11.313 1.00 60.41 H new ATOM 0 HG22 THR A 114 -8.752 6.777 -10.043 1.00 60.41 H new ATOM 0 HG23 THR A 114 -7.203 6.893 -10.911 1.00 60.41 H new ATOM 1916 N LEU A 115 -7.518 8.168 -7.337 1.00 21.03 N ATOM 1917 CA LEU A 115 -8.431 9.098 -6.669 1.00 55.34 C ATOM 1918 C LEU A 115 -8.800 10.192 -7.678 1.00 64.34 C ATOM 1919 O LEU A 115 -7.968 11.055 -7.963 1.00 21.52 O ATOM 1920 CB LEU A 115 -7.741 9.679 -5.405 1.00 4.13 C ATOM 1921 CG LEU A 115 -8.667 10.314 -4.330 1.00 53.13 C ATOM 1922 CD1 LEU A 115 -7.834 11.049 -3.260 1.00 44.32 C ATOM 1923 CD2 LEU A 115 -9.782 11.236 -4.853 1.00 53.31 C ATOM 0 H LEU A 115 -6.663 8.617 -7.666 1.00 21.03 H new ATOM 0 HA LEU A 115 -9.342 8.599 -6.338 1.00 55.34 H new ATOM 0 HB2 LEU A 115 -7.170 8.880 -4.932 1.00 4.13 H new ATOM 0 HB3 LEU A 115 -7.025 10.435 -5.726 1.00 4.13 H new ATOM 0 HG LEU A 115 -9.192 9.462 -3.899 1.00 53.13 H new ATOM 0 HD11 LEU A 115 -8.501 11.486 -2.517 1.00 44.32 H new ATOM 0 HD12 LEU A 115 -7.162 10.342 -2.773 1.00 44.32 H new ATOM 0 HD13 LEU A 115 -7.250 11.839 -3.733 1.00 44.32 H new ATOM 0 HD21 LEU A 115 -10.361 11.619 -4.013 1.00 53.31 H new ATOM 0 HD22 LEU A 115 -9.339 12.069 -5.398 1.00 53.31 H new ATOM 0 HD23 LEU A 115 -10.437 10.674 -5.519 1.00 53.31 H new ATOM 1935 N GLY A 116 -10.052 10.157 -8.170 1.00 62.11 N ATOM 1936 CA GLY A 116 -10.606 11.156 -9.085 1.00 74.52 C ATOM 1937 C GLY A 116 -9.982 10.983 -10.473 1.00 34.22 C ATOM 1938 O GLY A 116 -10.462 10.171 -11.263 1.00 60.22 O ATOM 0 H GLY A 116 -10.714 9.418 -7.935 1.00 62.11 H new ATOM 0 HA2 GLY A 116 -11.689 11.047 -9.146 1.00 74.52 H new ATOM 0 HA3 GLY A 116 -10.407 12.159 -8.708 1.00 74.52 H new ATOM 1942 N ASP A 117 -8.916 11.754 -10.742 1.00 65.24 N ATOM 1943 CA ASP A 117 -8.112 11.696 -11.965 1.00 12.31 C ATOM 1944 C ASP A 117 -6.613 11.467 -11.641 1.00 24.33 C ATOM 1945 O ASP A 117 -5.827 11.286 -12.570 1.00 32.21 O ATOM 1946 CB ASP A 117 -8.322 12.987 -12.797 1.00 10.40 C ATOM 1947 CG ASP A 117 -7.906 12.892 -14.270 1.00 51.24 C ATOM 1948 OD1 ASP A 117 -8.089 11.805 -14.862 1.00 31.25 O ATOM 1949 OD2 ASP A 117 -7.502 13.945 -14.808 1.00 64.20 O1- ATOM 0 H ASP A 117 -8.581 12.460 -10.086 1.00 65.24 H new ATOM 0 HA ASP A 117 -8.443 10.845 -12.560 1.00 12.31 H new ATOM 0 HB2 ASP A 117 -9.376 13.262 -12.751 1.00 10.40 H new ATOM 0 HB3 ASP A 117 -7.761 13.796 -12.329 1.00 10.40 H new ATOM 1954 N ILE A 118 -6.226 11.462 -10.351 1.00 63.44 N ATOM 1955 CA ILE A 118 -4.845 11.244 -9.919 1.00 63.52 C ATOM 1956 C ILE A 118 -4.568 9.734 -9.835 1.00 62.02 C ATOM 1957 O ILE A 118 -5.133 9.065 -8.969 1.00 3.24 O ATOM 1958 CB ILE A 118 -4.547 11.866 -8.520 1.00 51.20 C ATOM 1959 CG1 ILE A 118 -4.972 13.347 -8.408 1.00 61.42 C ATOM 1960 CG2 ILE A 118 -3.067 11.693 -8.115 1.00 22.15 C ATOM 1961 CD1 ILE A 118 -4.374 14.281 -9.470 1.00 63.33 C ATOM 0 H ILE A 118 -6.874 11.611 -9.578 1.00 63.44 H new ATOM 0 HA ILE A 118 -4.204 11.730 -10.654 1.00 63.52 H new ATOM 0 HB ILE A 118 -5.163 11.306 -7.817 1.00 51.20 H new ATOM 0 HG12 ILE A 118 -6.059 13.402 -8.469 1.00 61.42 H new ATOM 0 HG13 ILE A 118 -4.689 13.716 -7.422 1.00 61.42 H new ATOM 0 HG21 ILE A 118 -2.903 12.140 -7.135 1.00 22.15 H new ATOM 0 HG22 ILE A 118 -2.822 10.632 -8.075 1.00 22.15 H new ATOM 0 HG23 ILE A 118 -2.429 12.185 -8.849 1.00 22.15 H new ATOM 0 HD11 ILE A 118 -4.733 15.297 -9.305 1.00 63.33 H new ATOM 0 HD12 ILE A 118 -3.286 14.264 -9.398 1.00 63.33 H new ATOM 0 HD13 ILE A 118 -4.677 13.946 -10.462 1.00 63.33 H new ATOM 1973 N VAL A 119 -3.699 9.240 -10.728 1.00 14.52 N ATOM 1974 CA VAL A 119 -3.289 7.839 -10.788 1.00 40.30 C ATOM 1975 C VAL A 119 -1.904 7.716 -10.122 1.00 12.04 C ATOM 1976 O VAL A 119 -0.876 7.765 -10.797 1.00 43.32 O ATOM 1977 CB VAL A 119 -3.239 7.318 -12.256 1.00 35.24 C ATOM 1978 CG1 VAL A 119 -2.830 5.832 -12.362 1.00 3.10 C ATOM 1979 CG2 VAL A 119 -4.589 7.519 -12.973 1.00 31.10 C ATOM 0 H VAL A 119 -3.255 9.819 -11.441 1.00 14.52 H new ATOM 0 HA VAL A 119 -4.020 7.226 -10.261 1.00 40.30 H new ATOM 0 HB VAL A 119 -2.468 7.914 -12.745 1.00 35.24 H new ATOM 0 HG11 VAL A 119 -2.815 5.533 -13.410 1.00 3.10 H new ATOM 0 HG12 VAL A 119 -1.838 5.696 -11.931 1.00 3.10 H new ATOM 0 HG13 VAL A 119 -3.548 5.217 -11.820 1.00 3.10 H new ATOM 0 HG21 VAL A 119 -4.518 7.145 -13.994 1.00 31.10 H new ATOM 0 HG22 VAL A 119 -5.369 6.974 -12.440 1.00 31.10 H new ATOM 0 HG23 VAL A 119 -4.836 8.580 -12.992 1.00 31.10 H new ATOM 1989 N PHE A 120 -1.912 7.584 -8.786 1.00 54.22 N ATOM 1990 CA PHE A 120 -0.728 7.297 -7.974 1.00 3.10 C ATOM 1991 C PHE A 120 -0.258 5.859 -8.194 1.00 33.01 C ATOM 1992 O PHE A 120 -1.091 4.971 -8.370 1.00 5.04 O ATOM 1993 CB PHE A 120 -1.054 7.548 -6.492 1.00 54.44 C ATOM 1994 CG PHE A 120 0.071 7.322 -5.490 1.00 55.23 C ATOM 1995 CD1 PHE A 120 -0.127 6.501 -4.357 1.00 15.15 C ATOM 1996 CD2 PHE A 120 1.308 7.977 -5.642 1.00 34.05 C ATOM 1997 CE1 PHE A 120 0.884 6.348 -3.420 1.00 72.25 C ATOM 1998 CE2 PHE A 120 2.322 7.778 -4.716 1.00 11.14 C ATOM 1999 CZ PHE A 120 2.104 6.986 -3.598 1.00 21.32 C ATOM 0 H PHE A 120 -2.763 7.677 -8.232 1.00 54.22 H new ATOM 0 HA PHE A 120 0.084 7.959 -8.276 1.00 3.10 H new ATOM 0 HB2 PHE A 120 -1.397 8.578 -6.390 1.00 54.44 H new ATOM 0 HB3 PHE A 120 -1.889 6.905 -6.215 1.00 54.44 H new ATOM 0 HD1 PHE A 120 -1.069 5.991 -4.220 1.00 15.15 H new ATOM 0 HD2 PHE A 120 1.468 8.637 -6.482 1.00 34.05 H new ATOM 0 HE1 PHE A 120 0.722 5.730 -2.549 1.00 72.25 H new ATOM 0 HE2 PHE A 120 3.286 8.242 -4.866 1.00 11.14 H new ATOM 0 HZ PHE A 120 2.886 6.865 -2.863 1.00 21.32 H new ATOM 2009 N LYS A 121 1.065 5.662 -8.174 1.00 52.41 N ATOM 2010 CA LYS A 121 1.682 4.372 -8.440 1.00 73.41 C ATOM 2011 C LYS A 121 2.976 4.253 -7.619 1.00 64.01 C ATOM 2012 O LYS A 121 3.632 5.253 -7.340 1.00 13.03 O ATOM 2013 CB LYS A 121 1.802 4.207 -9.973 1.00 1.55 C ATOM 2014 CG LYS A 121 2.122 2.798 -10.497 1.00 70.32 C ATOM 2015 CD LYS A 121 3.620 2.532 -10.707 1.00 62.43 C ATOM 2016 CE LYS A 121 3.911 1.837 -12.047 1.00 24.15 C ATOM 2017 NZ LYS A 121 5.352 1.818 -12.336 1.00 62.52 N1+ ATOM 0 H LYS A 121 1.736 6.403 -7.971 1.00 52.41 H new ATOM 0 HA LYS A 121 1.084 3.523 -8.109 1.00 73.41 H new ATOM 0 HB2 LYS A 121 0.864 4.532 -10.424 1.00 1.55 H new ATOM 0 HB3 LYS A 121 2.578 4.885 -10.328 1.00 1.55 H new ATOM 0 HG2 LYS A 121 1.728 2.063 -9.795 1.00 70.32 H new ATOM 0 HG3 LYS A 121 1.601 2.647 -11.442 1.00 70.32 H new ATOM 0 HD2 LYS A 121 4.163 3.476 -10.665 1.00 62.43 H new ATOM 0 HD3 LYS A 121 3.994 1.913 -9.891 1.00 62.43 H new ATOM 0 HE2 LYS A 121 3.530 0.816 -12.020 1.00 24.15 H new ATOM 0 HE3 LYS A 121 3.384 2.353 -12.849 1.00 24.15 H new ATOM 0 HZ1 LYS A 121 5.511 1.420 -13.283 1.00 62.52 H new ATOM 0 HZ2 LYS A 121 5.726 2.788 -12.301 1.00 62.52 H new ATOM 0 HZ3 LYS A 121 5.840 1.233 -11.628 1.00 62.52 H new ATOM 2031 N ARG A 122 3.247 3.022 -7.169 1.00 1.23 N ATOM 2032 CA ARG A 122 4.199 2.674 -6.117 1.00 45.20 C ATOM 2033 C ARG A 122 4.866 1.348 -6.492 1.00 21.25 C ATOM 2034 O ARG A 122 4.192 0.437 -6.975 1.00 54.25 O ATOM 2035 CB ARG A 122 3.408 2.511 -4.802 1.00 32.24 C ATOM 2036 CG ARG A 122 3.280 3.780 -3.952 1.00 3.01 C ATOM 2037 CD ARG A 122 4.426 3.973 -2.949 1.00 11.54 C ATOM 2038 NE ARG A 122 4.419 2.949 -1.891 1.00 34.20 N ATOM 2039 CZ ARG A 122 3.625 2.927 -0.805 1.00 63.42 C ATOM 2040 NH1 ARG A 122 2.765 3.923 -0.547 1.00 43.43 N1+ ATOM 2041 NH2 ARG A 122 3.696 1.886 0.035 1.00 34.12 N ATOM 0 H ARG A 122 2.781 2.200 -7.552 1.00 1.23 H new ATOM 0 HA ARG A 122 4.963 3.443 -5.999 1.00 45.20 H new ATOM 0 HB2 ARG A 122 2.407 2.152 -5.042 1.00 32.24 H new ATOM 0 HB3 ARG A 122 3.889 1.739 -4.202 1.00 32.24 H new ATOM 0 HG2 ARG A 122 3.238 4.646 -4.613 1.00 3.01 H new ATOM 0 HG3 ARG A 122 2.336 3.748 -3.409 1.00 3.01 H new ATOM 0 HD2 ARG A 122 5.379 3.940 -3.478 1.00 11.54 H new ATOM 0 HD3 ARG A 122 4.347 4.961 -2.496 1.00 11.54 H new ATOM 0 HE ARG A 122 5.082 2.180 -1.991 1.00 34.20 H new ATOM 0 HH11 ARG A 122 2.703 4.720 -1.181 1.00 43.43 H new ATOM 0 HH12 ARG A 122 2.173 3.884 0.283 1.00 43.43 H new ATOM 0 HH21 ARG A 122 4.346 1.123 -0.152 1.00 34.12 H new ATOM 0 HH22 ARG A 122 3.100 1.857 0.862 1.00 34.12 H new ATOM 2055 N ILE A 123 6.180 1.272 -6.245 1.00 44.02 N ATOM 2056 CA ILE A 123 7.008 0.110 -6.546 1.00 1.53 C ATOM 2057 C ILE A 123 7.887 -0.171 -5.314 1.00 42.14 C ATOM 2058 O ILE A 123 8.620 0.715 -4.873 1.00 11.14 O ATOM 2059 CB ILE A 123 7.935 0.353 -7.781 1.00 33.44 C ATOM 2060 CG1 ILE A 123 7.152 0.802 -9.047 1.00 44.22 C ATOM 2061 CG2 ILE A 123 8.767 -0.902 -8.125 1.00 11.42 C ATOM 2062 CD1 ILE A 123 6.868 2.314 -9.137 1.00 61.45 C ATOM 0 H ILE A 123 6.704 2.037 -5.820 1.00 44.02 H new ATOM 0 HA ILE A 123 6.356 -0.731 -6.783 1.00 1.53 H new ATOM 0 HB ILE A 123 8.601 1.164 -7.486 1.00 33.44 H new ATOM 0 HG12 ILE A 123 7.716 0.501 -9.930 1.00 44.22 H new ATOM 0 HG13 ILE A 123 6.203 0.267 -9.077 1.00 44.22 H new ATOM 0 HG21 ILE A 123 9.399 -0.694 -8.989 1.00 11.42 H new ATOM 0 HG22 ILE A 123 9.393 -1.168 -7.273 1.00 11.42 H new ATOM 0 HG23 ILE A 123 8.097 -1.730 -8.356 1.00 11.42 H new ATOM 0 HD11 ILE A 123 6.318 2.527 -10.054 1.00 61.45 H new ATOM 0 HD12 ILE A 123 6.274 2.624 -8.277 1.00 61.45 H new ATOM 0 HD13 ILE A 123 7.811 2.861 -9.144 1.00 61.45 H new ATOM 2074 N SER A 124 7.800 -1.407 -4.801 1.00 22.23 N ATOM 2075 CA SER A 124 8.575 -1.912 -3.668 1.00 32.50 C ATOM 2076 C SER A 124 9.129 -3.309 -4.000 1.00 25.54 C ATOM 2077 O SER A 124 8.551 -4.014 -4.828 1.00 1.51 O ATOM 2078 CB SER A 124 7.680 -1.952 -2.412 1.00 13.10 C ATOM 2079 OG SER A 124 7.545 -0.668 -1.838 1.00 34.43 O ATOM 0 H SER A 124 7.162 -2.106 -5.182 1.00 22.23 H new ATOM 0 HA SER A 124 9.418 -1.250 -3.470 1.00 32.50 H new ATOM 0 HB2 SER A 124 6.696 -2.340 -2.676 1.00 13.10 H new ATOM 0 HB3 SER A 124 8.107 -2.637 -1.680 1.00 13.10 H new ATOM 0 HG SER A 124 6.972 -0.723 -1.045 1.00 34.43 H new ATOM 2085 N LYS A 125 10.237 -3.690 -3.344 1.00 24.13 N ATOM 2086 CA LYS A 125 10.945 -4.955 -3.567 1.00 34.33 C ATOM 2087 C LYS A 125 11.501 -5.486 -2.240 1.00 1.52 C ATOM 2088 O LYS A 125 11.944 -4.690 -1.410 1.00 34.02 O ATOM 2089 CB LYS A 125 12.019 -4.738 -4.661 1.00 65.50 C ATOM 2090 CG LYS A 125 12.988 -5.904 -4.947 1.00 71.15 C ATOM 2091 CD LYS A 125 14.362 -5.753 -4.269 1.00 22.53 C ATOM 2092 CE LYS A 125 15.303 -6.943 -4.516 1.00 0.14 C ATOM 2093 NZ LYS A 125 14.786 -8.187 -3.919 1.00 21.45 N1+ ATOM 0 H LYS A 125 10.674 -3.111 -2.627 1.00 24.13 H new ATOM 0 HA LYS A 125 10.270 -5.728 -3.933 1.00 34.33 H new ATOM 0 HB2 LYS A 125 11.507 -4.490 -5.591 1.00 65.50 H new ATOM 0 HB3 LYS A 125 12.613 -3.868 -4.382 1.00 65.50 H new ATOM 0 HG2 LYS A 125 12.529 -6.835 -4.613 1.00 71.15 H new ATOM 0 HG3 LYS A 125 13.132 -5.988 -6.024 1.00 71.15 H new ATOM 0 HD2 LYS A 125 14.839 -4.842 -4.631 1.00 22.53 H new ATOM 0 HD3 LYS A 125 14.217 -5.632 -3.196 1.00 22.53 H new ATOM 0 HE2 LYS A 125 15.436 -7.083 -5.589 1.00 0.14 H new ATOM 0 HE3 LYS A 125 16.285 -6.721 -4.099 1.00 0.14 H new ATOM 0 HZ1 LYS A 125 15.526 -8.917 -3.943 1.00 21.45 H new ATOM 0 HZ2 LYS A 125 14.507 -8.009 -2.933 1.00 21.45 H new ATOM 0 HZ3 LYS A 125 13.959 -8.514 -4.459 1.00 21.45 H new ATOM 2107 N ARG A 126 11.463 -6.823 -2.080 1.00 63.52 N ATOM 2108 CA ARG A 126 11.860 -7.572 -0.884 1.00 41.42 C ATOM 2109 C ARG A 126 13.276 -7.246 -0.383 1.00 12.11 C ATOM 2110 O ARG A 126 14.220 -7.221 -1.173 1.00 24.21 O ATOM 2111 CB ARG A 126 11.699 -9.085 -1.152 1.00 33.20 C ATOM 2112 CG ARG A 126 12.165 -10.024 -0.017 1.00 73.33 C ATOM 2113 CD ARG A 126 11.890 -11.513 -0.285 1.00 13.21 C ATOM 2114 NE ARG A 126 10.480 -11.869 -0.072 1.00 42.13 N ATOM 2115 CZ ARG A 126 9.960 -13.097 -0.243 1.00 14.43 C ATOM 2116 NH1 ARG A 126 10.708 -14.117 -0.687 1.00 70.12 N1+ ATOM 2117 NH2 ARG A 126 8.671 -13.313 0.047 1.00 4.03 N ATOM 0 H ARG A 126 11.136 -7.438 -2.825 1.00 63.52 H new ATOM 0 HA ARG A 126 11.196 -7.260 -0.078 1.00 41.42 H new ATOM 0 HB2 ARG A 126 10.648 -9.288 -1.357 1.00 33.20 H new ATOM 0 HB3 ARG A 126 12.254 -9.335 -2.056 1.00 33.20 H new ATOM 0 HG2 ARG A 126 13.235 -9.885 0.140 1.00 73.33 H new ATOM 0 HG3 ARG A 126 11.667 -9.734 0.908 1.00 73.33 H new ATOM 0 HD2 ARG A 126 12.172 -11.753 -1.310 1.00 13.21 H new ATOM 0 HD3 ARG A 126 12.518 -12.119 0.368 1.00 13.21 H new ATOM 0 HE ARG A 126 9.847 -11.127 0.229 1.00 42.13 H new ATOM 0 HH11 ARG A 126 11.694 -13.970 -0.903 1.00 70.12 H new ATOM 0 HH12 ARG A 126 10.291 -15.040 -0.809 1.00 70.12 H new ATOM 0 HH21 ARG A 126 8.092 -12.549 0.395 1.00 4.03 H new ATOM 0 HH22 ARG A 126 8.268 -14.242 -0.080 1.00 4.03 H new ATOM 2131 N ILE A 127 13.379 -7.069 0.941 1.00 50.12 N ATOM 2132 CA ILE A 127 14.619 -6.827 1.688 1.00 3.32 C ATOM 2133 C ILE A 127 14.710 -7.923 2.739 1.00 21.41 C ATOM 2134 O ILE A 127 14.315 -9.079 2.576 1.00 22.53 O ATOM 2135 CB ILE A 127 14.653 -5.395 2.304 1.00 70.30 C ATOM 2136 CG1 ILE A 127 13.378 -5.025 3.110 1.00 43.04 C ATOM 2137 CG2 ILE A 127 14.955 -4.349 1.215 1.00 2.02 C ATOM 2138 CD1 ILE A 127 13.537 -3.826 4.052 1.00 0.24 C ATOM 0 H ILE A 127 12.560 -7.092 1.549 1.00 50.12 H new ATOM 0 HA ILE A 127 15.488 -6.865 1.031 1.00 3.32 H new ATOM 0 HB ILE A 127 15.462 -5.394 3.034 1.00 70.30 H new ATOM 0 HG12 ILE A 127 12.571 -4.813 2.409 1.00 43.04 H new ATOM 0 HG13 ILE A 127 13.072 -5.891 3.696 1.00 43.04 H new ATOM 0 HG21 ILE A 127 14.975 -3.355 1.661 1.00 2.02 H new ATOM 0 HG22 ILE A 127 15.923 -4.564 0.763 1.00 2.02 H new ATOM 0 HG23 ILE A 127 14.180 -4.387 0.449 1.00 2.02 H new ATOM 0 HD11 ILE A 127 12.596 -3.644 4.571 1.00 0.24 H new ATOM 0 HD12 ILE A 127 14.319 -4.038 4.782 1.00 0.24 H new ATOM 0 HD13 ILE A 127 13.810 -2.943 3.474 1.00 0.24 H new TER 2150 ILE A 127