USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=35 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 180:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= 0 K(o=0,f=0.68) USER MOD Set 2.1: A 100 SER OG : rot 89:sc= 0.0419 USER MOD Set 2.2: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 MET CE :methyl -164:sc= 0 (180deg=-0.358) USER MOD Set 3.2: A 89 ASN : amide:sc= 0.0865 K(o=0.087,f=-0.47) USER MOD Set 4.1: A 81 THR OG1 : rot 151:sc= 0.962 USER MOD Set 4.2: A 93 THR OG1 : rot -160:sc= -0.069 USER MOD Set 5.1: A 73 THR OG1 : rot 132:sc= 0.0948 USER MOD Set 5.2: A 75 THR OG1 : rot 180:sc= -0.0106 USER MOD Set 6.1: A 47 HIS : no HE2:sc= 0.035 X(o=0.071,f=-0.4) USER MOD Set 6.2: A 64 THR OG1 : rot 180:sc= 0.0357 USER MOD Set 7.1: A 49 LYS NZ :NH3+ -132:sc= 0.322 (180deg=0) USER MOD Set 7.2: A 60 GLN : amide:sc= 0.306 K(o=0.63,f=-0.049) USER MOD Set 8.1: A 19 MET CE :methyl -175:sc= -0.0346 (180deg=-0.104) USER MOD Set 8.2: A 74 MET CE :methyl -172:sc= -0.0375 (180deg=-0.115) USER MOD Set 9.1: A -4 HIS : no HD1:sc= -0.0274 X(o=0.00014,f=0.0037) USER MOD Set 9.2: A -7 HIS N :NH3+ -134:sc= 0.0275 (180deg=-0.00157) USER MOD Set10.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set10.2: A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -119:sc= -0.0479 (180deg=-1.21) USER MOD Single : A 7 TYR OH : rot -155:sc= 1.06 USER MOD Single : A 8 GLN : amide:sc= 0.29 X(o=0.29,f=0) USER MOD Single : A -2 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=0) 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=-0.019) USER MOD Single : A -7 HIS : no HD1:sc=-0.00633 X(o=-0.0063,f=-0.0063) USER MOD Single : A 10 GLN : amide:sc= 0.578 K(o=0.58,f=0) USER MOD Single : A 11 SER OG : rot 37:sc= 0.214 USER MOD Single : A 12 GLN : amide:sc= -0.471 K(o=-0.47,f=-2.7) USER MOD Single : A 14 ASN : amide:sc= 0.763 K(o=0.76,f=-0.41) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.0567 X(o=0.057,f=-0.19) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= 0.874 (180deg=0.727) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc=-0.00795 (180deg=-0.0769) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= -0.0113 (180deg=-0.0113) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.0787 K(o=0.079,f=-1.7) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0.947 (180deg=0.947) USER MOD Single : A 61 ASN : amide:sc= 0.696 K(o=0.7,f=-0.0067) USER MOD Single : A 69 CYS SG : rot 19:sc= 0.193 USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= 0.00707 (180deg=0.00013) USER MOD Single : A 80 LYS NZ :NH3+ 155:sc= 0.585 (180deg=0.17) USER MOD Single : A 84 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.48) USER MOD Single : A 90 LYS NZ :NH3+ -155:sc= 0.312 (180deg=0.103) USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00632 USER MOD Single : A 96 LYS NZ :NH3+ -116:sc= 0 (180deg=-1.19) USER MOD Single : A 97 ASN : amide:sc=-0.00569 K(o=-0.0057,f=-0.92) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= -0.0362 (180deg=-0.0362) USER MOD Single : A 105 ASN : amide:sc= 0.455 X(o=0.45,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -175:sc=-0.00623 (180deg=-0.0253) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -7 -1.685 -33.417 3.735 1.00 53.54 N ATOM 2 CA HIS A -7 -2.503 -32.182 3.493 1.00 73.55 C ATOM 3 C HIS A -7 -1.553 -30.982 3.268 1.00 35.32 C ATOM 4 O HIS A -7 -1.838 -30.177 2.381 1.00 32.42 O ATOM 5 CB HIS A -7 -3.538 -31.954 4.626 1.00 14.45 C ATOM 6 CG HIS A -7 -2.963 -31.782 6.019 1.00 61.54 C ATOM 7 ND1 HIS A -7 -2.592 -32.854 6.813 1.00 44.13 N ATOM 8 CD2 HIS A -7 -2.690 -30.656 6.768 1.00 52.03 C ATOM 9 CE1 HIS A -7 -2.098 -32.354 7.948 1.00 12.44 C ATOM 10 NE2 HIS A -7 -2.114 -31.027 7.985 1.00 53.30 N ATOM 0 H1 HIS A -7 -2.063 -34.201 3.165 1.00 53.54 H new ATOM 0 H2 HIS A -7 -0.697 -33.237 3.465 1.00 53.54 H new ATOM 0 H3 HIS A -7 -1.728 -33.670 4.743 1.00 53.54 H new ATOM 0 HA HIS A -7 -3.099 -32.303 2.589 1.00 73.55 H new ATOM 0 HB2 HIS A -7 -4.125 -31.068 4.384 1.00 14.45 H new ATOM 0 HB3 HIS A -7 -4.227 -32.799 4.639 1.00 14.45 H new ATOM 0 HD2 HIS A -7 -2.891 -29.641 6.460 1.00 52.03 H new ATOM 0 HE1 HIS A -7 -1.723 -32.967 8.754 1.00 12.44 H new ATOM 0 HE2 HIS A -7 -1.781 -30.417 8.732 1.00 53.30 H new ATOM 18 N HIS A -6 -0.536 -30.800 4.134 1.00 53.05 N ATOM 19 CA HIS A -6 0.259 -29.569 4.198 1.00 35.03 C ATOM 20 C HIS A -6 1.379 -29.514 3.147 1.00 24.41 C ATOM 21 O HIS A -6 1.656 -28.433 2.633 1.00 34.34 O ATOM 22 CB HIS A -6 0.800 -29.378 5.629 1.00 51.31 C ATOM 23 CG HIS A -6 1.175 -27.953 5.959 1.00 14.31 C ATOM 24 ND1 HIS A -6 2.349 -27.356 5.533 1.00 73.41 N ATOM 25 CD2 HIS A -6 0.512 -26.985 6.683 1.00 23.21 C ATOM 26 CE1 HIS A -6 2.342 -26.099 5.986 1.00 72.24 C ATOM 27 NE2 HIS A -6 1.256 -25.804 6.693 1.00 72.33 N ATOM 0 H HIS A -6 -0.246 -31.508 4.809 1.00 53.05 H new ATOM 0 HA HIS A -6 -0.400 -28.736 3.952 1.00 35.03 H new ATOM 0 HB2 HIS A -6 0.047 -29.718 6.340 1.00 51.31 H new ATOM 0 HB3 HIS A -6 1.675 -30.014 5.763 1.00 51.31 H new ATOM 0 HD2 HIS A -6 -0.442 -27.120 7.170 1.00 23.21 H new ATOM 0 HE1 HIS A -6 3.138 -25.394 5.797 1.00 72.24 H new ATOM 0 HE2 HIS A -6 1.020 -24.918 7.140 1.00 72.33 H new ATOM 35 N HIS A -5 1.981 -30.670 2.818 1.00 50.43 N ATOM 36 CA HIS A -5 3.009 -30.789 1.776 1.00 55.13 C ATOM 37 C HIS A -5 2.473 -30.622 0.338 1.00 13.31 C ATOM 38 O HIS A -5 3.273 -30.390 -0.568 1.00 52.24 O ATOM 39 CB HIS A -5 3.794 -32.107 1.954 1.00 1.34 C ATOM 40 CG HIS A -5 4.916 -32.028 2.964 1.00 10.41 C ATOM 41 ND1 HIS A -5 4.722 -31.774 4.313 1.00 13.43 N ATOM 42 CD2 HIS A -5 6.279 -32.158 2.808 1.00 10.01 C ATOM 43 CE1 HIS A -5 5.928 -31.757 4.889 1.00 62.12 C ATOM 44 NE2 HIS A -5 6.920 -31.982 4.037 1.00 1.30 N ATOM 0 H HIS A -5 1.763 -31.556 3.274 1.00 50.43 H new ATOM 0 HA HIS A -5 3.690 -29.949 1.911 1.00 55.13 H new ATOM 0 HB2 HIS A -5 3.101 -32.891 2.258 1.00 1.34 H new ATOM 0 HB3 HIS A -5 4.208 -32.403 0.990 1.00 1.34 H new ATOM 0 HD2 HIS A -5 6.778 -32.365 1.873 1.00 10.01 H new ATOM 0 HE1 HIS A -5 6.080 -31.578 5.943 1.00 62.12 H new ATOM 0 HE2 HIS A -5 7.920 -32.018 4.234 1.00 1.30 H new ATOM 52 N HIS A -4 1.140 -30.696 0.156 1.00 5.50 N ATOM 53 CA HIS A -4 0.447 -30.375 -1.096 1.00 1.40 C ATOM 54 C HIS A -4 0.403 -28.859 -1.365 1.00 2.12 C ATOM 55 O HIS A -4 0.380 -28.463 -2.531 1.00 34.13 O ATOM 56 CB HIS A -4 -0.983 -30.949 -1.073 1.00 34.44 C ATOM 57 CG HIS A -4 -1.068 -32.444 -0.879 1.00 60.11 C ATOM 58 ND1 HIS A -4 -1.507 -33.309 -1.865 1.00 43.31 N ATOM 59 CD2 HIS A -4 -0.798 -33.240 0.214 1.00 2.15 C ATOM 60 CE1 HIS A -4 -1.477 -34.542 -1.351 1.00 64.34 C ATOM 61 NE2 HIS A -4 -1.062 -34.576 -0.090 1.00 55.02 N ATOM 0 H HIS A -4 0.504 -30.989 0.898 1.00 5.50 H new ATOM 0 HA HIS A -4 1.012 -30.834 -1.907 1.00 1.40 H new ATOM 0 HB2 HIS A -4 -1.541 -30.462 -0.273 1.00 34.44 H new ATOM 0 HB3 HIS A -4 -1.477 -30.691 -2.010 1.00 34.44 H new ATOM 0 HD2 HIS A -4 -0.435 -32.882 1.166 1.00 2.15 H new ATOM 0 HE1 HIS A -4 -1.762 -35.424 -1.906 1.00 64.34 H new ATOM 0 HE2 HIS A -4 -0.960 -35.390 0.516 1.00 55.02 H new ATOM 69 N HIS A -3 0.418 -28.046 -0.291 1.00 31.43 N ATOM 70 CA HIS A -3 0.559 -26.592 -0.336 1.00 62.02 C ATOM 71 C HIS A -3 2.029 -26.203 -0.552 1.00 24.05 C ATOM 72 O HIS A -3 2.726 -25.840 0.395 1.00 33.32 O ATOM 73 CB HIS A -3 -0.048 -25.953 0.938 1.00 13.35 C ATOM 74 CG HIS A -3 -1.519 -25.629 0.860 1.00 62.32 C ATOM 75 ND1 HIS A -3 -2.456 -26.464 0.277 1.00 40.41 N ATOM 76 CD2 HIS A -3 -2.224 -24.520 1.277 1.00 42.41 C ATOM 77 CE1 HIS A -3 -3.640 -25.849 0.361 1.00 21.53 C ATOM 78 NE2 HIS A -3 -3.575 -24.665 0.958 1.00 24.14 N ATOM 0 H HIS A -3 0.329 -28.403 0.660 1.00 31.43 H new ATOM 0 HA HIS A -3 0.000 -26.200 -1.186 1.00 62.02 H new ATOM 0 HB2 HIS A -3 0.114 -26.631 1.776 1.00 13.35 H new ATOM 0 HB3 HIS A -3 0.498 -25.036 1.160 1.00 13.35 H new ATOM 0 HD2 HIS A -3 -1.794 -23.665 1.777 1.00 42.41 H new ATOM 0 HE1 HIS A -3 -4.558 -26.273 -0.019 1.00 21.53 H new ATOM 0 HE2 HIS A -3 -4.337 -24.012 1.141 1.00 24.14 H new ATOM 86 N HIS A -2 2.448 -26.248 -1.826 1.00 21.35 N ATOM 87 CA HIS A -2 3.661 -25.603 -2.337 1.00 55.22 C ATOM 88 C HIS A -2 3.357 -24.177 -2.855 1.00 65.41 C ATOM 89 O HIS A -2 4.165 -23.621 -3.599 1.00 24.41 O ATOM 90 CB HIS A -2 4.322 -26.508 -3.401 1.00 73.10 C ATOM 91 CG HIS A -2 3.423 -26.947 -4.534 1.00 43.54 C ATOM 92 ND1 HIS A -2 2.989 -28.253 -4.677 1.00 70.30 N ATOM 93 CD2 HIS A -2 2.878 -26.259 -5.596 1.00 25.05 C ATOM 94 CE1 HIS A -2 2.215 -28.296 -5.764 1.00 11.32 C ATOM 95 NE2 HIS A -2 2.100 -27.122 -6.373 1.00 4.13 N ATOM 0 H HIS A -2 1.934 -26.751 -2.549 1.00 21.35 H new ATOM 0 HA HIS A -2 4.378 -25.478 -1.526 1.00 55.22 H new ATOM 0 HB2 HIS A -2 5.176 -25.978 -3.823 1.00 73.10 H new ATOM 0 HB3 HIS A -2 4.712 -27.397 -2.905 1.00 73.10 H new ATOM 0 HD2 HIS A -2 3.029 -25.209 -5.798 1.00 25.05 H new ATOM 0 HE1 HIS A -2 1.731 -29.196 -6.113 1.00 11.32 H new ATOM 0 HE2 HIS A -2 1.567 -26.901 -7.214 1.00 4.13 H new ATOM 103 N VAL A -1 2.200 -23.617 -2.451 1.00 10.11 N ATOM 104 CA VAL A -1 1.725 -22.272 -2.761 1.00 42.51 C ATOM 105 C VAL A -1 2.654 -21.199 -2.152 1.00 22.22 C ATOM 106 O VAL A -1 2.650 -20.968 -0.943 1.00 4.13 O ATOM 107 CB VAL A -1 0.243 -22.074 -2.312 1.00 30.15 C ATOM 108 CG1 VAL A -1 -0.702 -22.955 -3.146 1.00 3.44 C ATOM 109 CG2 VAL A -1 -0.049 -22.281 -0.808 1.00 3.34 C ATOM 0 H VAL A -1 1.540 -24.129 -1.866 1.00 10.11 H new ATOM 0 HA VAL A -1 1.752 -22.151 -3.844 1.00 42.51 H new ATOM 0 HB VAL A -1 0.058 -21.015 -2.493 1.00 30.15 H new ATOM 0 HG11 VAL A -1 -1.729 -22.801 -2.816 1.00 3.44 H new ATOM 0 HG12 VAL A -1 -0.615 -22.687 -4.199 1.00 3.44 H new ATOM 0 HG13 VAL A -1 -0.432 -24.003 -3.015 1.00 3.44 H new ATOM 0 HG21 VAL A -1 -1.110 -22.117 -0.617 1.00 3.34 H new ATOM 0 HG22 VAL A -1 0.218 -23.299 -0.522 1.00 3.34 H new ATOM 0 HG23 VAL A -1 0.539 -21.574 -0.223 1.00 3.34 H new ATOM 119 N ALA A 0 3.488 -20.615 -3.026 1.00 63.02 N ATOM 120 CA ALA A 0 4.564 -19.686 -2.680 1.00 75.14 C ATOM 121 C ALA A 0 4.292 -18.272 -3.224 1.00 52.10 C ATOM 122 O ALA A 0 5.238 -17.548 -3.534 1.00 75.20 O ATOM 123 CB ALA A 0 5.892 -20.272 -3.189 1.00 24.12 C ATOM 0 H ALA A 0 3.425 -20.786 -4.030 1.00 63.02 H new ATOM 0 HA ALA A 0 4.621 -19.572 -1.598 1.00 75.14 H new ATOM 0 HB1 ALA A 0 6.708 -19.593 -2.941 1.00 24.12 H new ATOM 0 HB2 ALA A 0 6.068 -21.239 -2.717 1.00 24.12 H new ATOM 0 HB3 ALA A 0 5.843 -20.400 -4.270 1.00 24.12 H new ATOM 129 N MET A 1 3.003 -17.902 -3.308 1.00 5.35 N ATOM 130 CA MET A 1 2.522 -16.578 -3.711 1.00 75.43 C ATOM 131 C MET A 1 1.690 -15.958 -2.575 1.00 42.13 C ATOM 132 O MET A 1 0.608 -15.422 -2.819 1.00 51.24 O ATOM 133 CB MET A 1 1.763 -16.673 -5.055 1.00 62.32 C ATOM 134 CG MET A 1 2.629 -17.130 -6.246 1.00 43.24 C ATOM 135 SD MET A 1 4.086 -16.105 -6.613 1.00 51.02 S ATOM 136 CE MET A 1 3.293 -14.587 -7.206 1.00 72.33 C ATOM 0 H MET A 1 2.242 -18.544 -3.088 1.00 5.35 H new ATOM 0 HA MET A 1 3.363 -15.906 -3.884 1.00 75.43 H new ATOM 0 HB2 MET A 1 0.931 -17.367 -4.940 1.00 62.32 H new ATOM 0 HB3 MET A 1 1.335 -15.698 -5.286 1.00 62.32 H new ATOM 0 HG2 MET A 1 2.965 -18.149 -6.055 1.00 43.24 H new ATOM 0 HG3 MET A 1 2.000 -17.163 -7.135 1.00 43.24 H new ATOM 0 HE1 MET A 1 4.026 -13.975 -7.731 1.00 72.33 H new ATOM 0 HE2 MET A 1 2.480 -14.843 -7.886 1.00 72.33 H new ATOM 0 HE3 MET A 1 2.895 -14.029 -6.358 1.00 72.33 H new ATOM 146 N SER A 2 2.241 -16.018 -1.352 1.00 23.44 N ATOM 147 CA SER A 2 1.738 -15.330 -0.166 1.00 34.33 C ATOM 148 C SER A 2 2.395 -13.943 -0.055 1.00 60.43 C ATOM 149 O SER A 2 3.612 -13.829 -0.206 1.00 70.02 O ATOM 150 CB SER A 2 1.990 -16.219 1.072 1.00 73.21 C ATOM 151 OG SER A 2 3.366 -16.421 1.337 1.00 2.05 O ATOM 0 H SER A 2 3.079 -16.568 -1.162 1.00 23.44 H new ATOM 0 HA SER A 2 0.663 -15.163 -0.237 1.00 34.33 H new ATOM 0 HB2 SER A 2 1.521 -15.761 1.943 1.00 73.21 H new ATOM 0 HB3 SER A 2 1.509 -17.185 0.923 1.00 73.21 H new ATOM 0 HG SER A 2 3.467 -16.988 2.130 1.00 2.05 H new ATOM 157 N PHE A 3 1.570 -12.917 0.210 1.00 23.45 N ATOM 158 CA PHE A 3 1.975 -11.510 0.322 1.00 2.14 C ATOM 159 C PHE A 3 2.941 -11.194 1.479 1.00 52.53 C ATOM 160 O PHE A 3 3.591 -10.150 1.429 1.00 51.21 O ATOM 161 CB PHE A 3 0.726 -10.626 0.484 1.00 34.04 C ATOM 162 CG PHE A 3 -0.122 -10.389 -0.749 1.00 74.30 C ATOM 163 CD1 PHE A 3 -1.051 -11.359 -1.185 1.00 13.25 C ATOM 164 CD2 PHE A 3 0.073 -9.224 -1.523 1.00 40.41 C ATOM 165 CE1 PHE A 3 -1.820 -11.116 -2.315 1.00 52.23 C ATOM 166 CE2 PHE A 3 -0.707 -9.000 -2.647 1.00 22.04 C ATOM 167 CZ PHE A 3 -1.662 -9.933 -3.026 1.00 64.41 C ATOM 0 H PHE A 3 0.570 -13.051 0.357 1.00 23.45 H new ATOM 0 HA PHE A 3 2.518 -11.299 -0.599 1.00 2.14 H new ATOM 0 HB2 PHE A 3 0.092 -11.075 1.248 1.00 34.04 H new ATOM 0 HB3 PHE A 3 1.046 -9.656 0.865 1.00 34.04 H new ATOM 0 HD1 PHE A 3 -1.163 -12.286 -0.642 1.00 13.25 H new ATOM 0 HD2 PHE A 3 0.830 -8.508 -1.239 1.00 40.41 H new ATOM 0 HE1 PHE A 3 -2.543 -11.849 -2.642 1.00 52.23 H new ATOM 0 HE2 PHE A 3 -0.571 -8.100 -3.228 1.00 22.04 H new ATOM 0 HZ PHE A 3 -2.289 -9.737 -3.883 1.00 64.41 H new ATOM 177 N SER A 4 2.989 -12.060 2.504 1.00 22.24 N ATOM 178 CA SER A 4 3.775 -11.891 3.724 1.00 22.20 C ATOM 179 C SER A 4 5.296 -11.769 3.480 1.00 22.44 C ATOM 180 O SER A 4 5.858 -12.555 2.717 1.00 34.43 O ATOM 181 CB SER A 4 3.391 -13.010 4.714 1.00 73.43 C ATOM 182 OG SER A 4 3.727 -14.297 4.231 1.00 61.14 O ATOM 0 H SER A 4 2.457 -12.931 2.499 1.00 22.24 H new ATOM 0 HA SER A 4 3.525 -10.927 4.168 1.00 22.20 H new ATOM 0 HB2 SER A 4 3.895 -12.839 5.665 1.00 73.43 H new ATOM 0 HB3 SER A 4 2.320 -12.967 4.909 1.00 73.43 H new ATOM 0 HG SER A 4 3.467 -14.973 4.892 1.00 61.14 H new ATOM 188 N GLY A 5 5.919 -10.774 4.134 1.00 55.21 N ATOM 189 CA GLY A 5 7.337 -10.443 3.981 1.00 62.30 C ATOM 190 C GLY A 5 7.563 -8.954 4.298 1.00 12.11 C ATOM 191 O GLY A 5 6.639 -8.247 4.705 1.00 5.45 O ATOM 0 H GLY A 5 5.436 -10.167 4.797 1.00 55.21 H new ATOM 0 HA2 GLY A 5 7.938 -11.061 4.648 1.00 62.30 H new ATOM 0 HA3 GLY A 5 7.663 -10.661 2.964 1.00 62.30 H new ATOM 195 N LYS A 6 8.806 -8.487 4.100 1.00 62.03 N ATOM 196 CA LYS A 6 9.232 -7.094 4.285 1.00 45.11 C ATOM 197 C LYS A 6 9.875 -6.589 2.984 1.00 1.54 C ATOM 198 O LYS A 6 10.600 -7.347 2.341 1.00 41.23 O ATOM 199 CB LYS A 6 10.205 -7.013 5.479 1.00 53.32 C ATOM 200 CG LYS A 6 10.565 -5.573 5.905 1.00 72.05 C ATOM 201 CD LYS A 6 11.664 -5.462 6.977 1.00 60.24 C ATOM 202 CE LYS A 6 11.341 -6.121 8.329 1.00 31.03 C ATOM 203 NZ LYS A 6 11.568 -7.578 8.312 1.00 25.41 N1+ ATOM 0 H LYS A 6 9.568 -9.093 3.796 1.00 62.03 H new ATOM 0 HA LYS A 6 8.377 -6.455 4.508 1.00 45.11 H new ATOM 0 HB2 LYS A 6 9.763 -7.532 6.330 1.00 53.32 H new ATOM 0 HB3 LYS A 6 11.122 -7.544 5.223 1.00 53.32 H new ATOM 0 HG2 LYS A 6 10.884 -5.019 5.022 1.00 72.05 H new ATOM 0 HG3 LYS A 6 9.664 -5.086 6.279 1.00 72.05 H new ATOM 0 HD2 LYS A 6 12.577 -5.909 6.584 1.00 60.24 H new ATOM 0 HD3 LYS A 6 11.874 -4.406 7.148 1.00 60.24 H new ATOM 0 HE2 LYS A 6 11.957 -5.669 9.107 1.00 31.03 H new ATOM 0 HE3 LYS A 6 10.301 -5.921 8.589 1.00 31.03 H new ATOM 0 HZ1 LYS A 6 10.674 -8.071 8.508 1.00 25.41 H new ATOM 0 HZ2 LYS A 6 11.922 -7.863 7.377 1.00 25.41 H new ATOM 0 HZ3 LYS A 6 12.268 -7.829 9.039 1.00 25.41 H new ATOM 217 N TYR A 7 9.572 -5.332 2.617 1.00 52.01 N ATOM 218 CA TYR A 7 9.848 -4.745 1.305 1.00 55.21 C ATOM 219 C TYR A 7 10.230 -3.263 1.460 1.00 73.55 C ATOM 220 O TYR A 7 9.420 -2.500 1.979 1.00 72.24 O ATOM 221 CB TYR A 7 8.581 -4.866 0.412 1.00 63.20 C ATOM 222 CG TYR A 7 7.903 -6.226 0.394 1.00 53.41 C ATOM 223 CD1 TYR A 7 8.358 -7.222 -0.492 1.00 60.51 C ATOM 224 CD2 TYR A 7 6.842 -6.513 1.282 1.00 23.35 C ATOM 225 CE1 TYR A 7 7.796 -8.510 -0.460 1.00 40.33 C ATOM 226 CE2 TYR A 7 6.266 -7.799 1.303 1.00 34.11 C ATOM 227 CZ TYR A 7 6.755 -8.800 0.440 1.00 61.45 C ATOM 228 OH TYR A 7 6.224 -10.055 0.459 1.00 53.42 O ATOM 0 H TYR A 7 9.113 -4.679 3.251 1.00 52.01 H new ATOM 0 HA TYR A 7 10.678 -5.277 0.840 1.00 55.21 H new ATOM 0 HB2 TYR A 7 7.854 -4.125 0.745 1.00 63.20 H new ATOM 0 HB3 TYR A 7 8.856 -4.606 -0.610 1.00 63.20 H new ATOM 0 HD1 TYR A 7 9.142 -6.995 -1.199 1.00 60.51 H new ATOM 0 HD2 TYR A 7 6.472 -5.746 1.946 1.00 23.35 H new ATOM 0 HE1 TYR A 7 8.163 -9.277 -1.126 1.00 40.33 H new ATOM 0 HE2 TYR A 7 5.452 -8.017 1.979 1.00 34.11 H new ATOM 0 HH TYR A 7 5.309 -10.018 0.807 1.00 53.42 H new ATOM 238 N GLN A 8 11.408 -2.844 0.963 1.00 1.02 N ATOM 239 CA GLN A 8 11.742 -1.418 0.850 1.00 62.04 C ATOM 240 C GLN A 8 11.100 -0.844 -0.423 1.00 10.20 C ATOM 241 O GLN A 8 11.149 -1.492 -1.469 1.00 44.43 O ATOM 242 CB GLN A 8 13.270 -1.204 0.823 1.00 2.50 C ATOM 243 CG GLN A 8 13.684 0.282 0.974 1.00 63.23 C ATOM 244 CD GLN A 8 15.065 0.575 0.395 1.00 52.24 C ATOM 245 OE1 GLN A 8 16.079 0.176 0.961 1.00 55.13 O ATOM 246 NE2 GLN A 8 15.109 1.283 -0.737 1.00 2.00 N ATOM 0 H GLN A 8 12.141 -3.473 0.635 1.00 1.02 H new ATOM 0 HA GLN A 8 11.350 -0.897 1.723 1.00 62.04 H new ATOM 0 HB2 GLN A 8 13.725 -1.784 1.626 1.00 2.50 H new ATOM 0 HB3 GLN A 8 13.668 -1.591 -0.115 1.00 2.50 H new ATOM 0 HG2 GLN A 8 12.946 0.912 0.477 1.00 63.23 H new ATOM 0 HG3 GLN A 8 13.674 0.551 2.030 1.00 63.23 H new ATOM 0 HE21 GLN A 8 14.244 1.596 -1.177 1.00 2.00 H new ATOM 0 HE22 GLN A 8 16.008 1.510 -1.162 1.00 2.00 H new ATOM 255 N LEU A 9 10.574 0.385 -0.318 1.00 0.12 N ATOM 256 CA LEU A 9 10.125 1.233 -1.422 1.00 63.33 C ATOM 257 C LEU A 9 11.287 1.536 -2.387 1.00 42.21 C ATOM 258 O LEU A 9 12.331 2.025 -1.953 1.00 34.12 O ATOM 259 CB LEU A 9 9.499 2.502 -0.802 1.00 4.51 C ATOM 260 CG LEU A 9 8.790 3.486 -1.760 1.00 14.33 C ATOM 261 CD1 LEU A 9 7.720 4.289 -1.002 1.00 40.25 C ATOM 262 CD2 LEU A 9 9.760 4.451 -2.468 1.00 73.22 C ATOM 0 H LEU A 9 10.445 0.834 0.589 1.00 0.12 H new ATOM 0 HA LEU A 9 9.373 0.730 -2.030 1.00 63.33 H new ATOM 0 HB2 LEU A 9 8.778 2.188 -0.048 1.00 4.51 H new ATOM 0 HB3 LEU A 9 10.287 3.047 -0.282 1.00 4.51 H new ATOM 0 HG LEU A 9 8.324 2.878 -2.536 1.00 14.33 H new ATOM 0 HD11 LEU A 9 7.228 4.978 -1.688 1.00 40.25 H new ATOM 0 HD12 LEU A 9 6.981 3.606 -0.583 1.00 40.25 H new ATOM 0 HD13 LEU A 9 8.191 4.853 -0.197 1.00 40.25 H new ATOM 0 HD21 LEU A 9 9.198 5.114 -3.126 1.00 73.22 H new ATOM 0 HD22 LEU A 9 10.292 5.043 -1.724 1.00 73.22 H new ATOM 0 HD23 LEU A 9 10.477 3.879 -3.057 1.00 73.22 H new ATOM 274 N GLN A 10 11.071 1.218 -3.671 1.00 32.14 N ATOM 275 CA GLN A 10 12.033 1.390 -4.756 1.00 23.51 C ATOM 276 C GLN A 10 11.797 2.712 -5.497 1.00 33.04 C ATOM 277 O GLN A 10 12.765 3.408 -5.801 1.00 11.12 O ATOM 278 CB GLN A 10 11.897 0.217 -5.758 1.00 41.22 C ATOM 279 CG GLN A 10 12.090 -1.190 -5.164 1.00 70.53 C ATOM 280 CD GLN A 10 13.478 -1.418 -4.570 1.00 21.25 C ATOM 281 OE1 GLN A 10 14.465 -1.463 -5.298 1.00 54.04 O ATOM 282 NE2 GLN A 10 13.560 -1.590 -3.248 1.00 41.31 N ATOM 0 H GLN A 10 10.187 0.820 -3.989 1.00 32.14 H new ATOM 0 HA GLN A 10 13.034 1.405 -4.326 1.00 23.51 H new ATOM 0 HB2 GLN A 10 10.909 0.266 -6.216 1.00 41.22 H new ATOM 0 HB3 GLN A 10 12.626 0.358 -6.556 1.00 41.22 H new ATOM 0 HG2 GLN A 10 11.341 -1.354 -4.389 1.00 70.53 H new ATOM 0 HG3 GLN A 10 11.911 -1.932 -5.943 1.00 70.53 H new ATOM 0 HE21 GLN A 10 12.718 -1.546 -2.675 1.00 41.31 H new ATOM 0 HE22 GLN A 10 14.465 -1.766 -2.812 1.00 41.31 H new ATOM 291 N SER A 11 10.523 3.014 -5.794 1.00 22.42 N ATOM 292 CA SER A 11 10.105 4.123 -6.650 1.00 54.22 C ATOM 293 C SER A 11 8.631 4.477 -6.409 1.00 43.15 C ATOM 294 O SER A 11 7.887 3.663 -5.859 1.00 65.41 O ATOM 295 CB SER A 11 10.353 3.741 -8.130 1.00 55.50 C ATOM 296 OG SER A 11 11.643 4.143 -8.539 1.00 21.52 O ATOM 0 H SER A 11 9.737 2.474 -5.432 1.00 22.42 H new ATOM 0 HA SER A 11 10.693 5.008 -6.406 1.00 54.22 H new ATOM 0 HB2 SER A 11 10.245 2.664 -8.256 1.00 55.50 H new ATOM 0 HB3 SER A 11 9.602 4.213 -8.763 1.00 55.50 H new ATOM 0 HG SER A 11 12.275 4.013 -7.802 1.00 21.52 H new ATOM 302 N GLN A 12 8.240 5.681 -6.859 1.00 52.11 N ATOM 303 CA GLN A 12 6.861 6.163 -6.857 1.00 10.15 C ATOM 304 C GLN A 12 6.655 7.218 -7.960 1.00 32.44 C ATOM 305 O GLN A 12 7.610 7.894 -8.344 1.00 14.54 O ATOM 306 CB GLN A 12 6.435 6.641 -5.442 1.00 74.31 C ATOM 307 CG GLN A 12 7.064 7.943 -4.891 1.00 73.50 C ATOM 308 CD GLN A 12 8.259 7.723 -3.957 1.00 72.40 C ATOM 309 OE1 GLN A 12 9.252 7.113 -4.342 1.00 42.42 O ATOM 310 NE2 GLN A 12 8.183 8.253 -2.734 1.00 0.03 N ATOM 0 H GLN A 12 8.897 6.360 -7.243 1.00 52.11 H new ATOM 0 HA GLN A 12 6.193 5.336 -7.098 1.00 10.15 H new ATOM 0 HB2 GLN A 12 5.353 6.770 -5.446 1.00 74.31 H new ATOM 0 HB3 GLN A 12 6.658 5.839 -4.738 1.00 74.31 H new ATOM 0 HG2 GLN A 12 7.383 8.561 -5.730 1.00 73.50 H new ATOM 0 HG3 GLN A 12 6.298 8.504 -4.355 1.00 73.50 H new ATOM 0 HE21 GLN A 12 7.342 8.754 -2.447 1.00 0.03 H new ATOM 0 HE22 GLN A 12 8.966 8.157 -2.087 1.00 0.03 H new ATOM 319 N GLU A 13 5.408 7.328 -8.451 1.00 45.34 N ATOM 320 CA GLU A 13 4.998 8.231 -9.533 1.00 24.53 C ATOM 321 C GLU A 13 3.673 8.921 -9.185 1.00 22.40 C ATOM 322 O GLU A 13 2.804 8.291 -8.587 1.00 5.02 O ATOM 323 CB GLU A 13 4.843 7.451 -10.852 1.00 33.31 C ATOM 324 CG GLU A 13 6.173 6.947 -11.435 1.00 43.25 C ATOM 325 CD GLU A 13 5.949 6.193 -12.741 1.00 23.35 C ATOM 326 OE1 GLU A 13 5.678 6.871 -13.755 1.00 25.34 O ATOM 327 OE2 GLU A 13 6.029 4.945 -12.696 1.00 32.21 O1- ATOM 0 H GLU A 13 4.634 6.770 -8.091 1.00 45.34 H new ATOM 0 HA GLU A 13 5.771 8.989 -9.655 1.00 24.53 H new ATOM 0 HB2 GLU A 13 4.185 6.599 -10.684 1.00 33.31 H new ATOM 0 HB3 GLU A 13 4.354 8.091 -11.587 1.00 33.31 H new ATOM 0 HG2 GLU A 13 6.841 7.791 -11.609 1.00 43.25 H new ATOM 0 HG3 GLU A 13 6.665 6.294 -10.714 1.00 43.25 H new ATOM 334 N ASN A 14 3.555 10.202 -9.588 1.00 13.20 N ATOM 335 CA ASN A 14 2.458 11.141 -9.284 1.00 14.42 C ATOM 336 C ASN A 14 2.271 11.358 -7.768 1.00 73.35 C ATOM 337 O ASN A 14 1.151 11.604 -7.317 1.00 12.12 O ATOM 338 CB ASN A 14 1.144 10.745 -10.011 1.00 70.55 C ATOM 339 CG ASN A 14 1.232 10.863 -11.536 1.00 40.33 C ATOM 340 OD1 ASN A 14 1.775 11.832 -12.061 1.00 23.25 O ATOM 341 ND2 ASN A 14 0.669 9.892 -12.259 1.00 12.33 N ATOM 0 H ASN A 14 4.270 10.636 -10.172 1.00 13.20 H new ATOM 0 HA ASN A 14 2.748 12.113 -9.683 1.00 14.42 H new ATOM 0 HB2 ASN A 14 0.887 9.719 -9.748 1.00 70.55 H new ATOM 0 HB3 ASN A 14 0.333 11.379 -9.651 1.00 70.55 H new ATOM 0 HD21 ASN A 14 0.682 9.942 -13.278 1.00 12.33 H new ATOM 0 HD22 ASN A 14 0.226 9.100 -11.793 1.00 12.33 H new ATOM 348 N PHE A 15 3.384 11.270 -7.017 1.00 42.24 N ATOM 349 CA PHE A 15 3.452 11.412 -5.566 1.00 12.22 C ATOM 350 C PHE A 15 2.956 12.774 -5.077 1.00 44.34 C ATOM 351 O PHE A 15 2.131 12.811 -4.171 1.00 11.34 O ATOM 352 CB PHE A 15 4.883 11.085 -5.080 1.00 35.14 C ATOM 353 CG PHE A 15 5.128 11.212 -3.581 1.00 0.45 C ATOM 354 CD1 PHE A 15 4.809 10.147 -2.709 1.00 63.43 C ATOM 355 CD2 PHE A 15 5.514 12.449 -3.026 1.00 61.51 C ATOM 356 CE1 PHE A 15 4.947 10.301 -1.337 1.00 31.02 C ATOM 357 CE2 PHE A 15 5.622 12.588 -1.651 1.00 10.43 C ATOM 358 CZ PHE A 15 5.353 11.518 -0.810 1.00 3.43 C ATOM 0 H PHE A 15 4.298 11.089 -7.432 1.00 42.24 H new ATOM 0 HA PHE A 15 2.766 10.692 -5.120 1.00 12.22 H new ATOM 0 HB2 PHE A 15 5.123 10.065 -5.382 1.00 35.14 H new ATOM 0 HB3 PHE A 15 5.580 11.743 -5.598 1.00 35.14 H new ATOM 0 HD1 PHE A 15 4.456 9.209 -3.112 1.00 63.43 H new ATOM 0 HD2 PHE A 15 5.726 13.288 -3.672 1.00 61.51 H new ATOM 0 HE1 PHE A 15 4.738 9.471 -0.678 1.00 31.02 H new ATOM 0 HE2 PHE A 15 5.918 13.538 -1.231 1.00 10.43 H new ATOM 0 HZ PHE A 15 5.460 11.633 0.259 1.00 3.43 H new ATOM 368 N GLU A 16 3.446 13.855 -5.702 1.00 1.55 N ATOM 369 CA GLU A 16 3.122 15.222 -5.306 1.00 11.22 C ATOM 370 C GLU A 16 1.676 15.625 -5.629 1.00 51.52 C ATOM 371 O GLU A 16 1.092 16.365 -4.845 1.00 62.13 O ATOM 372 CB GLU A 16 4.141 16.212 -5.897 1.00 73.44 C ATOM 373 CG GLU A 16 5.609 15.817 -5.611 1.00 44.03 C ATOM 374 CD GLU A 16 6.635 16.901 -5.947 1.00 73.15 C ATOM 375 OE1 GLU A 16 7.813 16.519 -6.113 1.00 1.33 O ATOM 376 OE2 GLU A 16 6.250 18.089 -5.998 1.00 53.41 O1- ATOM 0 H GLU A 16 4.080 13.799 -6.499 1.00 1.55 H new ATOM 0 HA GLU A 16 3.194 15.261 -4.219 1.00 11.22 H new ATOM 0 HB2 GLU A 16 3.992 16.277 -6.975 1.00 73.44 H new ATOM 0 HB3 GLU A 16 3.952 17.205 -5.489 1.00 73.44 H new ATOM 0 HG2 GLU A 16 5.704 15.559 -4.556 1.00 44.03 H new ATOM 0 HG3 GLU A 16 5.848 14.919 -6.181 1.00 44.03 H new ATOM 383 N ALA A 17 1.106 15.095 -6.727 1.00 1.05 N ATOM 384 CA ALA A 17 -0.302 15.277 -7.089 1.00 12.24 C ATOM 385 C ALA A 17 -1.263 14.550 -6.133 1.00 4.04 C ATOM 386 O ALA A 17 -2.313 15.101 -5.805 1.00 65.25 O ATOM 387 CB ALA A 17 -0.514 14.798 -8.535 1.00 32.13 C ATOM 0 H ALA A 17 1.622 14.521 -7.394 1.00 1.05 H new ATOM 0 HA ALA A 17 -0.534 16.339 -7.005 1.00 12.24 H new ATOM 0 HB1 ALA A 17 -1.560 14.930 -8.812 1.00 32.13 H new ATOM 0 HB2 ALA A 17 0.116 15.380 -9.207 1.00 32.13 H new ATOM 0 HB3 ALA A 17 -0.249 13.744 -8.612 1.00 32.13 H new ATOM 393 N PHE A 18 -0.873 13.342 -5.699 1.00 52.01 N ATOM 394 CA PHE A 18 -1.644 12.466 -4.820 1.00 64.21 C ATOM 395 C PHE A 18 -1.586 12.881 -3.346 1.00 44.51 C ATOM 396 O PHE A 18 -2.625 12.897 -2.686 1.00 52.34 O ATOM 397 CB PHE A 18 -1.151 11.028 -5.041 1.00 12.02 C ATOM 398 CG PHE A 18 -1.830 9.941 -4.228 1.00 33.13 C ATOM 399 CD1 PHE A 18 -3.133 9.516 -4.562 1.00 2.05 C ATOM 400 CD2 PHE A 18 -1.212 9.420 -3.072 1.00 22.11 C ATOM 401 CE1 PHE A 18 -3.766 8.553 -3.790 1.00 10.12 C ATOM 402 CE2 PHE A 18 -1.862 8.457 -2.312 1.00 65.33 C ATOM 403 CZ PHE A 18 -3.131 8.024 -2.673 1.00 10.15 C ATOM 0 H PHE A 18 0.025 12.937 -5.965 1.00 52.01 H new ATOM 0 HA PHE A 18 -2.700 12.544 -5.078 1.00 64.21 H new ATOM 0 HB2 PHE A 18 -1.269 10.787 -6.097 1.00 12.02 H new ATOM 0 HB3 PHE A 18 -0.083 10.998 -4.825 1.00 12.02 H new ATOM 0 HD1 PHE A 18 -3.637 9.940 -5.418 1.00 2.05 H new ATOM 0 HD2 PHE A 18 -0.233 9.770 -2.778 1.00 22.11 H new ATOM 0 HE1 PHE A 18 -4.756 8.213 -4.058 1.00 10.12 H new ATOM 0 HE2 PHE A 18 -1.380 8.044 -1.438 1.00 65.33 H new ATOM 0 HZ PHE A 18 -3.628 7.270 -2.081 1.00 10.15 H new ATOM 413 N MET A 19 -0.378 13.220 -2.867 1.00 62.31 N ATOM 414 CA MET A 19 -0.130 13.663 -1.498 1.00 51.31 C ATOM 415 C MET A 19 -0.683 15.082 -1.230 1.00 14.44 C ATOM 416 O MET A 19 -1.040 15.379 -0.094 1.00 65.41 O ATOM 417 CB MET A 19 1.374 13.521 -1.172 1.00 62.30 C ATOM 418 CG MET A 19 1.655 13.242 0.318 1.00 22.14 C ATOM 419 SD MET A 19 2.155 11.543 0.737 1.00 35.13 S ATOM 420 CE MET A 19 0.878 10.550 -0.083 1.00 52.42 C ATOM 0 H MET A 19 0.467 13.191 -3.438 1.00 62.31 H new ATOM 0 HA MET A 19 -0.681 13.017 -0.814 1.00 51.31 H new ATOM 0 HB2 MET A 19 1.793 12.712 -1.771 1.00 62.30 H new ATOM 0 HB3 MET A 19 1.890 14.435 -1.466 1.00 62.30 H new ATOM 0 HG2 MET A 19 2.439 13.922 0.652 1.00 22.14 H new ATOM 0 HG3 MET A 19 0.758 13.485 0.887 1.00 22.14 H new ATOM 0 HE1 MET A 19 1.017 9.499 0.169 1.00 52.42 H new ATOM 0 HE2 MET A 19 -0.107 10.876 0.251 1.00 52.42 H new ATOM 0 HE3 MET A 19 0.955 10.678 -1.163 1.00 52.42 H new ATOM 430 N LYS A 20 -0.811 15.909 -2.283 1.00 1.35 N ATOM 431 CA LYS A 20 -1.518 17.192 -2.249 1.00 40.15 C ATOM 432 C LYS A 20 -3.047 17.003 -2.217 1.00 62.15 C ATOM 433 O LYS A 20 -3.717 17.748 -1.502 1.00 53.14 O ATOM 434 CB LYS A 20 -1.074 18.029 -3.466 1.00 35.11 C ATOM 435 CG LYS A 20 -1.642 19.459 -3.573 1.00 52.34 C ATOM 436 CD LYS A 20 -1.514 20.052 -4.987 1.00 1.33 C ATOM 437 CE LYS A 20 -0.085 20.056 -5.553 1.00 34.32 C ATOM 438 NZ LYS A 20 -0.049 20.654 -6.900 1.00 60.21 N1+ ATOM 0 H LYS A 20 -0.416 15.695 -3.199 1.00 1.35 H new ATOM 0 HA LYS A 20 -1.261 17.720 -1.331 1.00 40.15 H new ATOM 0 HB2 LYS A 20 0.014 18.096 -3.453 1.00 35.11 H new ATOM 0 HB3 LYS A 20 -1.349 17.486 -4.370 1.00 35.11 H new ATOM 0 HG2 LYS A 20 -2.693 19.449 -3.283 1.00 52.34 H new ATOM 0 HG3 LYS A 20 -1.122 20.105 -2.866 1.00 52.34 H new ATOM 0 HD2 LYS A 20 -2.157 19.488 -5.663 1.00 1.33 H new ATOM 0 HD3 LYS A 20 -1.888 21.076 -4.972 1.00 1.33 H new ATOM 0 HE2 LYS A 20 0.572 20.614 -4.886 1.00 34.32 H new ATOM 0 HE3 LYS A 20 0.296 19.036 -5.595 1.00 34.32 H new ATOM 0 HZ1 LYS A 20 0.927 20.644 -7.258 1.00 60.21 H new ATOM 0 HZ2 LYS A 20 -0.658 20.105 -7.540 1.00 60.21 H new ATOM 0 HZ3 LYS A 20 -0.391 21.635 -6.853 1.00 60.21 H new ATOM 452 N ALA A 21 -3.566 16.019 -2.978 1.00 12.13 N ATOM 453 CA ALA A 21 -4.999 15.724 -3.105 1.00 12.14 C ATOM 454 C ALA A 21 -5.664 15.225 -1.810 1.00 25.12 C ATOM 455 O ALA A 21 -6.836 15.537 -1.595 1.00 2.15 O ATOM 456 CB ALA A 21 -5.227 14.728 -4.253 1.00 42.34 C ATOM 0 H ALA A 21 -2.982 15.394 -3.534 1.00 12.13 H new ATOM 0 HA ALA A 21 -5.486 16.674 -3.328 1.00 12.14 H new ATOM 0 HB1 ALA A 21 -6.292 14.513 -4.342 1.00 42.34 H new ATOM 0 HB2 ALA A 21 -4.864 15.159 -5.186 1.00 42.34 H new ATOM 0 HB3 ALA A 21 -4.687 13.804 -4.046 1.00 42.34 H new ATOM 462 N ILE A 22 -4.912 14.501 -0.962 1.00 75.12 N ATOM 463 CA ILE A 22 -5.357 14.072 0.369 1.00 35.51 C ATOM 464 C ILE A 22 -5.261 15.179 1.447 1.00 73.45 C ATOM 465 O ILE A 22 -5.836 15.007 2.521 1.00 23.31 O ATOM 466 CB ILE A 22 -4.561 12.835 0.875 1.00 70.33 C ATOM 467 CG1 ILE A 22 -3.040 13.087 0.973 1.00 10.22 C ATOM 468 CG2 ILE A 22 -4.884 11.590 0.025 1.00 12.01 C ATOM 469 CD1 ILE A 22 -2.268 12.018 1.746 1.00 1.15 C ATOM 0 H ILE A 22 -3.966 14.195 -1.188 1.00 75.12 H new ATOM 0 HA ILE A 22 -6.408 13.818 0.232 1.00 35.51 H new ATOM 0 HB ILE A 22 -4.892 12.646 1.896 1.00 70.33 H new ATOM 0 HG12 ILE A 22 -2.630 13.155 -0.035 1.00 10.22 H new ATOM 0 HG13 ILE A 22 -2.875 14.053 1.450 1.00 10.22 H new ATOM 0 HG21 ILE A 22 -4.316 10.738 0.398 1.00 12.01 H new ATOM 0 HG22 ILE A 22 -5.950 11.372 0.090 1.00 12.01 H new ATOM 0 HG23 ILE A 22 -4.615 11.779 -1.014 1.00 12.01 H new ATOM 0 HD11 ILE A 22 -1.209 12.276 1.764 1.00 1.15 H new ATOM 0 HD12 ILE A 22 -2.646 11.963 2.767 1.00 1.15 H new ATOM 0 HD13 ILE A 22 -2.398 11.052 1.259 1.00 1.15 H new ATOM 481 N GLY A 23 -4.563 16.287 1.145 1.00 70.33 N ATOM 482 CA GLY A 23 -4.466 17.444 2.032 1.00 22.51 C ATOM 483 C GLY A 23 -3.289 17.352 3.015 1.00 33.33 C ATOM 484 O GLY A 23 -3.329 18.034 4.038 1.00 32.51 O ATOM 0 H GLY A 23 -4.049 16.399 0.271 1.00 70.33 H new ATOM 0 HA2 GLY A 23 -4.360 18.347 1.431 1.00 22.51 H new ATOM 0 HA3 GLY A 23 -5.395 17.542 2.594 1.00 22.51 H new ATOM 488 N LEU A 24 -2.238 16.560 2.716 1.00 51.21 N ATOM 489 CA LEU A 24 -0.942 16.650 3.411 1.00 40.21 C ATOM 490 C LEU A 24 -0.249 17.967 2.990 1.00 64.14 C ATOM 491 O LEU A 24 -0.310 18.312 1.808 1.00 12.25 O ATOM 492 CB LEU A 24 -0.050 15.431 3.046 1.00 21.34 C ATOM 493 CG LEU A 24 0.220 14.463 4.221 1.00 34.32 C ATOM 494 CD1 LEU A 24 -1.060 13.734 4.667 1.00 54.24 C ATOM 495 CD2 LEU A 24 1.368 13.482 3.906 1.00 73.21 C ATOM 0 H LEU A 24 -2.266 15.845 1.990 1.00 51.21 H new ATOM 0 HA LEU A 24 -1.099 16.643 4.490 1.00 40.21 H new ATOM 0 HB2 LEU A 24 -0.526 14.877 2.237 1.00 21.34 H new ATOM 0 HB3 LEU A 24 0.904 15.795 2.665 1.00 21.34 H new ATOM 0 HG LEU A 24 0.548 15.069 5.066 1.00 34.32 H new ATOM 0 HD11 LEU A 24 -0.827 13.064 5.494 1.00 54.24 H new ATOM 0 HD12 LEU A 24 -1.801 14.465 4.990 1.00 54.24 H new ATOM 0 HD13 LEU A 24 -1.459 13.156 3.833 1.00 54.24 H new ATOM 0 HD21 LEU A 24 1.525 12.820 4.758 1.00 73.21 H new ATOM 0 HD22 LEU A 24 1.110 12.889 3.028 1.00 73.21 H new ATOM 0 HD23 LEU A 24 2.282 14.043 3.709 1.00 73.21 H new ATOM 507 N PRO A 25 0.391 18.682 3.947 1.00 71.41 N ATOM 508 CA PRO A 25 1.103 19.936 3.641 1.00 32.11 C ATOM 509 C PRO A 25 2.309 19.702 2.719 1.00 31.01 C ATOM 510 O PRO A 25 2.960 18.663 2.832 1.00 43.43 O ATOM 511 CB PRO A 25 1.529 20.457 5.024 1.00 31.20 C ATOM 512 CG PRO A 25 1.671 19.210 5.878 1.00 71.02 C ATOM 513 CD PRO A 25 0.561 18.307 5.353 1.00 65.43 C ATOM 0 HA PRO A 25 0.482 20.648 3.098 1.00 32.11 H new ATOM 0 HB2 PRO A 25 2.468 21.008 4.968 1.00 31.20 H new ATOM 0 HB3 PRO A 25 0.785 21.138 5.437 1.00 31.20 H new ATOM 0 HG2 PRO A 25 2.653 18.751 5.762 1.00 71.02 H new ATOM 0 HG3 PRO A 25 1.545 19.430 6.938 1.00 71.02 H new ATOM 0 HD2 PRO A 25 0.831 17.255 5.450 1.00 65.43 H new ATOM 0 HD3 PRO A 25 -0.363 18.452 5.913 1.00 65.43 H new ATOM 521 N GLU A 26 2.575 20.679 1.836 1.00 4.45 N ATOM 522 CA GLU A 26 3.672 20.697 0.860 1.00 4.32 C ATOM 523 C GLU A 26 5.065 20.398 1.455 1.00 42.12 C ATOM 524 O GLU A 26 5.893 19.799 0.775 1.00 64.11 O ATOM 525 CB GLU A 26 3.617 22.048 0.115 1.00 30.35 C ATOM 526 CG GLU A 26 4.669 22.249 -0.993 1.00 51.21 C ATOM 527 CD GLU A 26 4.513 23.618 -1.652 1.00 74.13 C ATOM 528 OE1 GLU A 26 4.935 24.606 -1.012 1.00 53.40 O ATOM 529 OE2 GLU A 26 3.962 23.657 -2.774 1.00 73.13 O1- ATOM 0 H GLU A 26 2.000 21.520 1.783 1.00 4.45 H new ATOM 0 HA GLU A 26 3.525 19.873 0.162 1.00 4.32 H new ATOM 0 HB2 GLU A 26 2.627 22.157 -0.327 1.00 30.35 H new ATOM 0 HB3 GLU A 26 3.730 22.849 0.846 1.00 30.35 H new ATOM 0 HG2 GLU A 26 5.670 22.156 -0.571 1.00 51.21 H new ATOM 0 HG3 GLU A 26 4.566 21.466 -1.744 1.00 51.21 H new ATOM 536 N GLU A 27 5.269 20.760 2.733 1.00 23.43 N ATOM 537 CA GLU A 27 6.439 20.440 3.548 1.00 42.32 C ATOM 538 C GLU A 27 6.688 18.921 3.671 1.00 60.41 C ATOM 539 O GLU A 27 7.798 18.468 3.391 1.00 20.41 O ATOM 540 CB GLU A 27 6.240 21.120 4.923 1.00 44.32 C ATOM 541 CG GLU A 27 7.431 21.043 5.899 1.00 65.14 C ATOM 542 CD GLU A 27 8.646 21.821 5.395 1.00 54.33 C ATOM 543 OE1 GLU A 27 9.565 21.159 4.863 1.00 1.32 O ATOM 544 OE2 GLU A 27 8.637 23.059 5.559 1.00 2.33 O1- ATOM 0 H GLU A 27 4.582 21.313 3.246 1.00 23.43 H new ATOM 0 HA GLU A 27 7.339 20.821 3.066 1.00 42.32 H new ATOM 0 HB2 GLU A 27 6.002 22.170 4.755 1.00 44.32 H new ATOM 0 HB3 GLU A 27 5.372 20.670 5.405 1.00 44.32 H new ATOM 0 HG2 GLU A 27 7.128 21.436 6.870 1.00 65.14 H new ATOM 0 HG3 GLU A 27 7.708 19.999 6.049 1.00 65.14 H new ATOM 551 N LEU A 28 5.639 18.164 4.038 1.00 0.12 N ATOM 552 CA LEU A 28 5.636 16.700 4.144 1.00 12.23 C ATOM 553 C LEU A 28 5.720 15.998 2.774 1.00 43.24 C ATOM 554 O LEU A 28 6.181 14.857 2.732 1.00 61.10 O ATOM 555 CB LEU A 28 4.383 16.222 4.925 1.00 51.32 C ATOM 556 CG LEU A 28 4.552 16.144 6.460 1.00 2.11 C ATOM 557 CD1 LEU A 28 4.973 17.473 7.127 1.00 52.22 C ATOM 558 CD2 LEU A 28 3.288 15.551 7.119 1.00 72.24 C ATOM 0 H LEU A 28 4.736 18.574 4.278 1.00 0.12 H new ATOM 0 HA LEU A 28 6.535 16.420 4.692 1.00 12.23 H new ATOM 0 HB2 LEU A 28 3.556 16.896 4.701 1.00 51.32 H new ATOM 0 HB3 LEU A 28 4.100 15.236 4.557 1.00 51.32 H new ATOM 0 HG LEU A 28 5.391 15.470 6.632 1.00 2.11 H new ATOM 0 HD11 LEU A 28 5.068 17.326 8.203 1.00 52.22 H new ATOM 0 HD12 LEU A 28 5.930 17.797 6.719 1.00 52.22 H new ATOM 0 HD13 LEU A 28 4.218 18.234 6.930 1.00 52.22 H new ATOM 0 HD21 LEU A 28 3.428 15.505 8.199 1.00 72.24 H new ATOM 0 HD22 LEU A 28 2.429 16.182 6.891 1.00 72.24 H new ATOM 0 HD23 LEU A 28 3.113 14.547 6.733 1.00 72.24 H new ATOM 570 N ILE A 29 5.304 16.678 1.690 1.00 60.55 N ATOM 571 CA ILE A 29 5.438 16.188 0.317 1.00 71.25 C ATOM 572 C ILE A 29 6.909 16.265 -0.151 1.00 13.24 C ATOM 573 O ILE A 29 7.447 15.259 -0.607 1.00 22.23 O ATOM 574 CB ILE A 29 4.542 16.966 -0.697 1.00 2.25 C ATOM 575 CG1 ILE A 29 3.056 16.938 -0.273 1.00 22.34 C ATOM 576 CG2 ILE A 29 4.702 16.457 -2.146 1.00 52.45 C ATOM 577 CD1 ILE A 29 2.101 17.704 -1.199 1.00 11.22 C ATOM 0 H ILE A 29 4.860 17.595 1.750 1.00 60.55 H new ATOM 0 HA ILE A 29 5.102 15.151 0.334 1.00 71.25 H new ATOM 0 HB ILE A 29 4.889 17.999 -0.679 1.00 2.25 H new ATOM 0 HG12 ILE A 29 2.729 15.900 -0.218 1.00 22.34 H new ATOM 0 HG13 ILE A 29 2.973 17.352 0.732 1.00 22.34 H new ATOM 0 HG21 ILE A 29 4.056 17.034 -2.808 1.00 52.45 H new ATOM 0 HG22 ILE A 29 5.739 16.573 -2.460 1.00 52.45 H new ATOM 0 HG23 ILE A 29 4.424 15.404 -2.195 1.00 52.45 H new ATOM 0 HD11 ILE A 29 1.083 17.625 -0.817 1.00 11.22 H new ATOM 0 HD12 ILE A 29 2.394 18.753 -1.237 1.00 11.22 H new ATOM 0 HD13 ILE A 29 2.147 17.278 -2.201 1.00 11.22 H new ATOM 589 N GLN A 30 7.541 17.442 0.003 1.00 32.25 N ATOM 590 CA GLN A 30 8.934 17.689 -0.390 1.00 61.21 C ATOM 591 C GLN A 30 9.974 16.901 0.430 1.00 51.51 C ATOM 592 O GLN A 30 11.057 16.625 -0.086 1.00 1.33 O ATOM 593 CB GLN A 30 9.228 19.207 -0.371 1.00 10.35 C ATOM 594 CG GLN A 30 8.455 20.053 -1.407 1.00 51.13 C ATOM 595 CD GLN A 30 8.598 19.560 -2.850 1.00 55.11 C ATOM 596 OE1 GLN A 30 9.704 19.495 -3.380 1.00 12.32 O ATOM 597 NE2 GLN A 30 7.475 19.222 -3.486 1.00 72.51 N ATOM 0 H GLN A 30 7.088 18.260 0.411 1.00 32.25 H new ATOM 0 HA GLN A 30 9.039 17.311 -1.407 1.00 61.21 H new ATOM 0 HB2 GLN A 30 9.002 19.590 0.624 1.00 10.35 H new ATOM 0 HB3 GLN A 30 10.296 19.354 -0.534 1.00 10.35 H new ATOM 0 HG2 GLN A 30 7.398 20.059 -1.140 1.00 51.13 H new ATOM 0 HG3 GLN A 30 8.804 21.084 -1.351 1.00 51.13 H new ATOM 0 HE21 GLN A 30 6.577 19.291 -3.007 1.00 72.51 H new ATOM 0 HE22 GLN A 30 7.514 18.894 -4.451 1.00 72.51 H new ATOM 606 N LYS A 31 9.611 16.516 1.664 1.00 43.00 N ATOM 607 CA LYS A 31 10.363 15.586 2.504 1.00 3.12 C ATOM 608 C LYS A 31 10.119 14.122 2.097 1.00 74.44 C ATOM 609 O LYS A 31 11.084 13.380 1.915 1.00 12.13 O ATOM 610 CB LYS A 31 9.965 15.817 3.975 1.00 33.32 C ATOM 611 CG LYS A 31 10.576 17.085 4.595 1.00 45.12 C ATOM 612 CD LYS A 31 9.936 17.429 5.952 1.00 12.15 C ATOM 613 CE LYS A 31 10.856 18.199 6.913 1.00 65.13 C ATOM 614 NZ LYS A 31 11.395 19.430 6.311 1.00 3.44 N1+ ATOM 0 H LYS A 31 8.761 16.856 2.113 1.00 43.00 H new ATOM 0 HA LYS A 31 11.428 15.775 2.372 1.00 3.12 H new ATOM 0 HB2 LYS A 31 8.879 15.879 4.042 1.00 33.32 H new ATOM 0 HB3 LYS A 31 10.272 14.953 4.564 1.00 33.32 H new ATOM 0 HG2 LYS A 31 11.649 16.944 4.726 1.00 45.12 H new ATOM 0 HG3 LYS A 31 10.446 17.923 3.910 1.00 45.12 H new ATOM 0 HD2 LYS A 31 9.038 18.021 5.776 1.00 12.15 H new ATOM 0 HD3 LYS A 31 9.619 16.505 6.435 1.00 12.15 H new ATOM 0 HE2 LYS A 31 10.302 18.453 7.817 1.00 65.13 H new ATOM 0 HE3 LYS A 31 11.681 17.555 7.216 1.00 65.13 H new ATOM 0 HZ1 LYS A 31 11.807 20.028 7.055 1.00 3.44 H new ATOM 0 HZ2 LYS A 31 12.130 19.184 5.617 1.00 3.44 H new ATOM 0 HZ3 LYS A 31 10.629 19.948 5.835 1.00 3.44 H new ATOM 628 N GLY A 32 8.836 13.736 1.972 1.00 50.40 N ATOM 629 CA GLY A 32 8.381 12.353 1.804 1.00 15.11 C ATOM 630 C GLY A 32 8.718 11.736 0.438 1.00 24.21 C ATOM 631 O GLY A 32 8.725 10.510 0.334 1.00 34.34 O ATOM 0 H GLY A 32 8.066 14.404 1.986 1.00 50.40 H new ATOM 0 HA2 GLY A 32 8.827 11.739 2.586 1.00 15.11 H new ATOM 0 HA3 GLY A 32 7.301 12.318 1.948 1.00 15.11 H new ATOM 635 N LYS A 33 9.014 12.554 -0.590 1.00 12.04 N ATOM 636 CA LYS A 33 9.483 12.091 -1.902 1.00 4.24 C ATOM 637 C LYS A 33 10.893 11.468 -1.852 1.00 31.01 C ATOM 638 O LYS A 33 11.164 10.541 -2.615 1.00 75.03 O ATOM 639 CB LYS A 33 9.412 13.248 -2.930 1.00 50.23 C ATOM 640 CG LYS A 33 10.318 14.461 -2.623 1.00 63.12 C ATOM 641 CD LYS A 33 10.474 15.430 -3.805 1.00 33.54 C ATOM 642 CE LYS A 33 11.381 16.637 -3.501 1.00 3.24 C ATOM 643 NZ LYS A 33 12.733 16.238 -3.068 1.00 40.25 N1+ ATOM 0 H LYS A 33 8.932 13.569 -0.527 1.00 12.04 H new ATOM 0 HA LYS A 33 8.815 11.291 -2.221 1.00 4.24 H new ATOM 0 HB2 LYS A 33 9.678 12.856 -3.912 1.00 50.23 H new ATOM 0 HB3 LYS A 33 8.380 13.593 -2.993 1.00 50.23 H new ATOM 0 HG2 LYS A 33 9.907 15.004 -1.771 1.00 63.12 H new ATOM 0 HG3 LYS A 33 11.303 14.102 -2.327 1.00 63.12 H new ATOM 0 HD2 LYS A 33 10.881 14.886 -4.658 1.00 33.54 H new ATOM 0 HD3 LYS A 33 9.489 15.792 -4.099 1.00 33.54 H new ATOM 0 HE2 LYS A 33 11.458 17.261 -4.391 1.00 3.24 H new ATOM 0 HE3 LYS A 33 10.920 17.246 -2.724 1.00 3.24 H new ATOM 0 HZ1 LYS A 33 13.341 17.080 -3.007 1.00 40.25 H new ATOM 0 HZ2 LYS A 33 12.678 15.783 -2.135 1.00 40.25 H new ATOM 0 HZ3 LYS A 33 13.135 15.570 -3.756 1.00 40.25 H new ATOM 657 N ASP A 34 11.754 11.999 -0.967 1.00 62.15 N ATOM 658 CA ASP A 34 13.163 11.631 -0.828 1.00 21.33 C ATOM 659 C ASP A 34 13.310 10.414 0.101 1.00 71.54 C ATOM 660 O ASP A 34 14.122 9.536 -0.193 1.00 72.31 O ATOM 661 CB ASP A 34 13.985 12.841 -0.324 1.00 41.55 C ATOM 662 CG ASP A 34 15.500 12.693 -0.488 1.00 64.03 C ATOM 663 OD1 ASP A 34 16.047 13.418 -1.348 1.00 3.04 O ATOM 664 OD2 ASP A 34 16.096 11.907 0.283 1.00 22.15 O1- ATOM 0 H ASP A 34 11.471 12.723 -0.307 1.00 62.15 H new ATOM 0 HA ASP A 34 13.556 11.348 -1.804 1.00 21.33 H new ATOM 0 HB2 ASP A 34 13.660 13.733 -0.859 1.00 41.55 H new ATOM 0 HB3 ASP A 34 13.761 13.003 0.730 1.00 41.55 H new ATOM 669 N ILE A 35 12.507 10.376 1.181 1.00 31.14 N ATOM 670 CA ILE A 35 12.457 9.273 2.136 1.00 55.24 C ATOM 671 C ILE A 35 11.905 8.006 1.455 1.00 62.22 C ATOM 672 O ILE A 35 10.701 7.916 1.209 1.00 12.45 O ATOM 673 CB ILE A 35 11.579 9.612 3.385 1.00 1.50 C ATOM 674 CG1 ILE A 35 12.086 10.858 4.153 1.00 2.13 C ATOM 675 CG2 ILE A 35 11.380 8.427 4.361 1.00 34.10 C ATOM 676 CD1 ILE A 35 13.407 10.670 4.916 1.00 60.03 C ATOM 0 H ILE A 35 11.863 11.133 1.412 1.00 31.14 H new ATOM 0 HA ILE A 35 13.477 9.100 2.479 1.00 55.24 H new ATOM 0 HB ILE A 35 10.600 9.841 2.963 1.00 1.50 H new ATOM 0 HG12 ILE A 35 12.209 11.676 3.443 1.00 2.13 H new ATOM 0 HG13 ILE A 35 11.317 11.165 4.862 1.00 2.13 H new ATOM 0 HG21 ILE A 35 10.760 8.746 5.199 1.00 34.10 H new ATOM 0 HG22 ILE A 35 10.890 7.605 3.840 1.00 34.10 H new ATOM 0 HG23 ILE A 35 12.349 8.095 4.733 1.00 34.10 H new ATOM 0 HD11 ILE A 35 13.673 11.600 5.418 1.00 60.03 H new ATOM 0 HD12 ILE A 35 13.290 9.878 5.656 1.00 60.03 H new ATOM 0 HD13 ILE A 35 14.196 10.398 4.215 1.00 60.03 H new ATOM 688 N LYS A 36 12.811 7.050 1.176 1.00 74.41 N ATOM 689 CA LYS A 36 12.453 5.697 0.765 1.00 33.25 C ATOM 690 C LYS A 36 11.810 4.965 1.950 1.00 45.41 C ATOM 691 O LYS A 36 12.466 4.726 2.965 1.00 40.12 O ATOM 692 CB LYS A 36 13.659 4.945 0.146 1.00 5.55 C ATOM 693 CG LYS A 36 14.964 4.883 0.977 1.00 63.32 C ATOM 694 CD LYS A 36 15.992 5.984 0.647 1.00 41.44 C ATOM 695 CE LYS A 36 17.026 5.581 -0.419 1.00 21.10 C ATOM 696 NZ LYS A 36 16.412 5.304 -1.728 1.00 52.24 N1+ ATOM 0 H LYS A 36 13.818 7.205 1.233 1.00 74.41 H new ATOM 0 HA LYS A 36 11.714 5.739 -0.035 1.00 33.25 H new ATOM 0 HB2 LYS A 36 13.346 3.923 -0.065 1.00 5.55 H new ATOM 0 HB3 LYS A 36 13.891 5.412 -0.811 1.00 5.55 H new ATOM 0 HG2 LYS A 36 14.708 4.949 2.035 1.00 63.32 H new ATOM 0 HG3 LYS A 36 15.431 3.911 0.822 1.00 63.32 H new ATOM 0 HD2 LYS A 36 15.460 6.871 0.304 1.00 41.44 H new ATOM 0 HD3 LYS A 36 16.518 6.261 1.561 1.00 41.44 H new ATOM 0 HE2 LYS A 36 17.760 6.379 -0.528 1.00 21.10 H new ATOM 0 HE3 LYS A 36 17.565 4.696 -0.080 1.00 21.10 H new ATOM 0 HZ1 LYS A 36 17.152 5.037 -2.409 1.00 52.24 H new ATOM 0 HZ2 LYS A 36 15.731 4.524 -1.634 1.00 52.24 H new ATOM 0 HZ3 LYS A 36 15.919 6.155 -2.067 1.00 52.24 H new ATOM 710 N GLY A 37 10.513 4.668 1.806 1.00 23.34 N ATOM 711 CA GLY A 37 9.720 3.989 2.822 1.00 45.33 C ATOM 712 C GLY A 37 10.103 2.507 2.935 1.00 41.21 C ATOM 713 O GLY A 37 10.846 1.966 2.115 1.00 4.23 O ATOM 0 H GLY A 37 9.983 4.899 0.966 1.00 23.34 H new ATOM 0 HA2 GLY A 37 9.865 4.478 3.785 1.00 45.33 H new ATOM 0 HA3 GLY A 37 8.661 4.075 2.577 1.00 45.33 H new ATOM 717 N VAL A 38 9.553 1.852 3.962 1.00 63.12 N ATOM 718 CA VAL A 38 9.606 0.407 4.135 1.00 63.14 C ATOM 719 C VAL A 38 8.182 -0.063 4.454 1.00 60.44 C ATOM 720 O VAL A 38 7.566 0.426 5.400 1.00 44.23 O ATOM 721 CB VAL A 38 10.568 -0.041 5.272 1.00 70.34 C ATOM 722 CG1 VAL A 38 10.558 -1.569 5.512 1.00 54.02 C ATOM 723 CG2 VAL A 38 12.014 0.417 5.003 1.00 31.32 C ATOM 0 H VAL A 38 9.048 2.327 4.710 1.00 63.12 H new ATOM 0 HA VAL A 38 9.993 -0.037 3.218 1.00 63.14 H new ATOM 0 HB VAL A 38 10.191 0.442 6.173 1.00 70.34 H new ATOM 0 HG11 VAL A 38 11.250 -1.815 6.317 1.00 54.02 H new ATOM 0 HG12 VAL A 38 9.553 -1.887 5.787 1.00 54.02 H new ATOM 0 HG13 VAL A 38 10.864 -2.082 4.601 1.00 54.02 H new ATOM 0 HG21 VAL A 38 12.658 0.086 5.818 1.00 31.32 H new ATOM 0 HG22 VAL A 38 12.364 -0.015 4.066 1.00 31.32 H new ATOM 0 HG23 VAL A 38 12.045 1.504 4.935 1.00 31.32 H new ATOM 733 N SER A 39 7.705 -1.011 3.643 1.00 2.42 N ATOM 734 CA SER A 39 6.427 -1.688 3.790 1.00 44.24 C ATOM 735 C SER A 39 6.682 -3.107 4.315 1.00 54.13 C ATOM 736 O SER A 39 7.664 -3.738 3.931 1.00 2.40 O ATOM 737 CB SER A 39 5.733 -1.731 2.415 1.00 2.01 C ATOM 738 OG SER A 39 5.329 -0.429 2.032 1.00 13.42 O ATOM 0 H SER A 39 8.228 -1.338 2.831 1.00 2.42 H new ATOM 0 HA SER A 39 5.783 -1.161 4.495 1.00 44.24 H new ATOM 0 HB2 SER A 39 6.412 -2.143 1.669 1.00 2.01 H new ATOM 0 HB3 SER A 39 4.867 -2.391 2.457 1.00 2.01 H new ATOM 0 HG SER A 39 4.891 -0.467 1.156 1.00 13.42 H new ATOM 744 N GLU A 40 5.783 -3.595 5.171 1.00 10.33 N ATOM 745 CA GLU A 40 5.804 -4.950 5.705 1.00 32.53 C ATOM 746 C GLU A 40 4.365 -5.462 5.728 1.00 52.00 C ATOM 747 O GLU A 40 3.465 -4.739 6.154 1.00 5.23 O ATOM 748 CB GLU A 40 6.486 -4.956 7.090 1.00 74.12 C ATOM 749 CG GLU A 40 6.553 -6.339 7.782 1.00 23.34 C ATOM 750 CD GLU A 40 5.952 -6.326 9.188 1.00 35.54 C ATOM 751 OE1 GLU A 40 6.697 -6.687 10.125 1.00 3.21 O ATOM 752 OE2 GLU A 40 4.759 -5.965 9.299 1.00 73.21 O1- ATOM 0 H GLU A 40 5.001 -3.041 5.519 1.00 10.33 H new ATOM 0 HA GLU A 40 6.391 -5.625 5.082 1.00 32.53 H new ATOM 0 HB2 GLU A 40 7.500 -4.572 6.980 1.00 74.12 H new ATOM 0 HB3 GLU A 40 5.953 -4.265 7.743 1.00 74.12 H new ATOM 0 HG2 GLU A 40 6.024 -7.072 7.172 1.00 23.34 H new ATOM 0 HG3 GLU A 40 7.592 -6.662 7.839 1.00 23.34 H new ATOM 759 N ILE A 41 4.183 -6.693 5.240 1.00 61.23 N ATOM 760 CA ILE A 41 2.881 -7.320 5.083 1.00 42.43 C ATOM 761 C ILE A 41 2.894 -8.656 5.849 1.00 63.52 C ATOM 762 O ILE A 41 3.935 -9.308 5.940 1.00 75.40 O ATOM 763 CB ILE A 41 2.552 -7.590 3.581 1.00 2.44 C ATOM 764 CG1 ILE A 41 2.744 -6.329 2.701 1.00 52.20 C ATOM 765 CG2 ILE A 41 1.122 -8.148 3.391 1.00 14.43 C ATOM 766 CD1 ILE A 41 2.698 -6.601 1.188 1.00 12.11 C ATOM 0 H ILE A 41 4.956 -7.287 4.939 1.00 61.23 H new ATOM 0 HA ILE A 41 2.117 -6.649 5.476 1.00 42.43 H new ATOM 0 HB ILE A 41 3.265 -8.346 3.253 1.00 2.44 H new ATOM 0 HG12 ILE A 41 1.970 -5.604 2.952 1.00 52.20 H new ATOM 0 HG13 ILE A 41 3.702 -5.871 2.947 1.00 52.20 H new ATOM 0 HG21 ILE A 41 0.937 -8.321 2.331 1.00 14.43 H new ATOM 0 HG22 ILE A 41 1.023 -9.088 3.935 1.00 14.43 H new ATOM 0 HG23 ILE A 41 0.397 -7.429 3.774 1.00 14.43 H new ATOM 0 HD11 ILE A 41 2.841 -5.666 0.646 1.00 12.11 H new ATOM 0 HD12 ILE A 41 3.490 -7.300 0.920 1.00 12.11 H new ATOM 0 HD13 ILE A 41 1.731 -7.029 0.925 1.00 12.11 H new ATOM 778 N VAL A 42 1.724 -9.029 6.383 1.00 61.12 N ATOM 779 CA VAL A 42 1.464 -10.308 7.041 1.00 35.52 C ATOM 780 C VAL A 42 0.161 -10.877 6.449 1.00 4.05 C ATOM 781 O VAL A 42 -0.708 -10.099 6.052 1.00 65.04 O ATOM 782 CB VAL A 42 1.286 -10.124 8.579 1.00 31.23 C ATOM 783 CG1 VAL A 42 0.955 -11.422 9.341 1.00 33.13 C ATOM 784 CG2 VAL A 42 2.515 -9.454 9.224 1.00 72.01 C ATOM 0 H VAL A 42 0.904 -8.423 6.366 1.00 61.12 H new ATOM 0 HA VAL A 42 2.307 -10.980 6.877 1.00 35.52 H new ATOM 0 HB VAL A 42 0.419 -9.470 8.670 1.00 31.23 H new ATOM 0 HG11 VAL A 42 0.848 -11.203 10.403 1.00 33.13 H new ATOM 0 HG12 VAL A 42 0.023 -11.839 8.961 1.00 33.13 H new ATOM 0 HG13 VAL A 42 1.760 -12.143 9.198 1.00 33.13 H new ATOM 0 HG21 VAL A 42 2.349 -9.345 10.296 1.00 72.01 H new ATOM 0 HG22 VAL A 42 3.397 -10.072 9.054 1.00 72.01 H new ATOM 0 HG23 VAL A 42 2.669 -8.471 8.779 1.00 72.01 H new ATOM 794 N GLN A 43 0.049 -12.214 6.400 1.00 74.40 N ATOM 795 CA GLN A 43 -1.126 -12.926 5.905 1.00 30.22 C ATOM 796 C GLN A 43 -1.448 -14.072 6.873 1.00 35.33 C ATOM 797 O GLN A 43 -0.826 -15.132 6.799 1.00 41.12 O ATOM 798 CB GLN A 43 -0.883 -13.375 4.446 1.00 42.11 C ATOM 799 CG GLN A 43 -2.076 -14.128 3.820 1.00 34.04 C ATOM 800 CD GLN A 43 -1.917 -14.397 2.320 1.00 1.32 C ATOM 801 OE1 GLN A 43 -0.894 -14.084 1.713 1.00 41.31 O ATOM 802 NE2 GLN A 43 -2.949 -14.981 1.711 1.00 12.51 N ATOM 0 H GLN A 43 0.793 -12.838 6.712 1.00 74.40 H new ATOM 0 HA GLN A 43 -2.006 -12.283 5.875 1.00 30.22 H new ATOM 0 HB2 GLN A 43 -0.659 -12.498 3.838 1.00 42.11 H new ATOM 0 HB3 GLN A 43 -0.003 -14.017 4.415 1.00 42.11 H new ATOM 0 HG2 GLN A 43 -2.207 -15.078 4.338 1.00 34.04 H new ATOM 0 HG3 GLN A 43 -2.985 -13.549 3.982 1.00 34.04 H new ATOM 0 HE21 GLN A 43 -3.783 -15.228 2.244 1.00 12.51 H new ATOM 0 HE22 GLN A 43 -2.905 -15.181 0.712 1.00 12.51 H new ATOM 811 N ASN A 44 -2.416 -13.817 7.768 1.00 25.45 N ATOM 812 CA ASN A 44 -2.935 -14.748 8.771 1.00 44.42 C ATOM 813 C ASN A 44 -4.295 -15.270 8.284 1.00 53.04 C ATOM 814 O ASN A 44 -5.338 -14.860 8.797 1.00 61.10 O ATOM 815 CB ASN A 44 -3.045 -14.017 10.133 1.00 64.41 C ATOM 816 CG ASN A 44 -1.702 -13.636 10.767 1.00 15.53 C ATOM 817 OD1 ASN A 44 -0.656 -14.185 10.430 1.00 22.31 O ATOM 818 ND2 ASN A 44 -1.732 -12.695 11.712 1.00 74.22 N ATOM 0 H ASN A 44 -2.878 -12.909 7.810 1.00 25.45 H new ATOM 0 HA ASN A 44 -2.268 -15.599 8.908 1.00 44.42 H new ATOM 0 HB2 ASN A 44 -3.637 -13.112 9.997 1.00 64.41 H new ATOM 0 HB3 ASN A 44 -3.592 -14.654 10.828 1.00 64.41 H new ATOM 0 HD21 ASN A 44 -0.870 -12.412 12.178 1.00 74.22 H new ATOM 0 HD22 ASN A 44 -2.617 -12.258 11.969 1.00 74.22 H new ATOM 825 N GLY A 45 -4.256 -16.161 7.278 1.00 55.11 N ATOM 826 CA GLY A 45 -5.444 -16.723 6.638 1.00 22.41 C ATOM 827 C GLY A 45 -6.101 -15.639 5.777 1.00 72.11 C ATOM 828 O GLY A 45 -5.485 -15.134 4.838 1.00 3.32 O ATOM 0 H GLY A 45 -3.382 -16.512 6.886 1.00 55.11 H new ATOM 0 HA2 GLY A 45 -5.171 -17.580 6.022 1.00 22.41 H new ATOM 0 HA3 GLY A 45 -6.145 -17.082 7.392 1.00 22.41 H new ATOM 832 N LYS A 46 -7.359 -15.303 6.104 1.00 5.11 N ATOM 833 CA LYS A 46 -8.110 -14.213 5.477 1.00 20.40 C ATOM 834 C LYS A 46 -7.701 -12.828 6.012 1.00 71.33 C ATOM 835 O LYS A 46 -7.873 -11.852 5.285 1.00 41.04 O ATOM 836 CB LYS A 46 -9.624 -14.440 5.669 1.00 51.11 C ATOM 837 CG LYS A 46 -10.187 -15.775 5.143 1.00 71.21 C ATOM 838 CD LYS A 46 -10.019 -16.031 3.632 1.00 71.33 C ATOM 839 CE LYS A 46 -8.743 -16.804 3.258 1.00 20.20 C ATOM 840 NZ LYS A 46 -8.735 -17.167 1.832 1.00 73.11 N1+ ATOM 0 H LYS A 46 -7.889 -15.793 6.825 1.00 5.11 H new ATOM 0 HA LYS A 46 -7.870 -14.222 4.414 1.00 20.40 H new ATOM 0 HB2 LYS A 46 -9.848 -14.370 6.733 1.00 51.11 H new ATOM 0 HB3 LYS A 46 -10.157 -13.626 5.177 1.00 51.11 H new ATOM 0 HG2 LYS A 46 -9.705 -16.589 5.685 1.00 71.21 H new ATOM 0 HG3 LYS A 46 -11.249 -15.818 5.383 1.00 71.21 H new ATOM 0 HD2 LYS A 46 -10.885 -16.586 3.271 1.00 71.33 H new ATOM 0 HD3 LYS A 46 -10.015 -15.073 3.112 1.00 71.33 H new ATOM 0 HE2 LYS A 46 -7.867 -16.196 3.485 1.00 20.20 H new ATOM 0 HE3 LYS A 46 -8.671 -17.706 3.865 1.00 20.20 H new ATOM 0 HZ1 LYS A 46 -7.862 -17.687 1.611 1.00 73.11 H new ATOM 0 HZ2 LYS A 46 -9.558 -17.767 1.622 1.00 73.11 H new ATOM 0 HZ3 LYS A 46 -8.779 -16.304 1.254 1.00 73.11 H new ATOM 854 N HIS A 47 -7.165 -12.751 7.247 1.00 31.14 N ATOM 855 CA HIS A 47 -6.641 -11.509 7.816 1.00 24.30 C ATOM 856 C HIS A 47 -5.305 -11.117 7.164 1.00 32.21 C ATOM 857 O HIS A 47 -4.463 -11.979 6.921 1.00 44.23 O ATOM 858 CB HIS A 47 -6.519 -11.606 9.349 1.00 54.34 C ATOM 859 CG HIS A 47 -6.159 -10.290 10.005 1.00 0.32 C ATOM 860 ND1 HIS A 47 -7.053 -9.239 10.105 1.00 54.25 N ATOM 861 CD2 HIS A 47 -4.983 -9.828 10.557 1.00 21.51 C ATOM 862 CE1 HIS A 47 -6.405 -8.222 10.679 1.00 22.13 C ATOM 863 NE2 HIS A 47 -5.143 -8.506 10.979 1.00 23.21 N ATOM 0 H HIS A 47 -7.087 -13.553 7.872 1.00 31.14 H new ATOM 0 HA HIS A 47 -7.354 -10.715 7.596 1.00 24.30 H new ATOM 0 HB2 HIS A 47 -7.463 -11.963 9.760 1.00 54.34 H new ATOM 0 HB3 HIS A 47 -5.762 -12.349 9.600 1.00 54.34 H new ATOM 0 HD1 HIS A 47 -8.026 -9.241 9.798 1.00 54.25 H new ATOM 0 HD2 HIS A 47 -4.073 -10.403 10.649 1.00 21.51 H new ATOM 0 HE1 HIS A 47 -6.862 -7.264 10.879 1.00 22.13 H new ATOM 871 N PHE A 48 -5.149 -9.812 6.930 1.00 74.42 N ATOM 872 CA PHE A 48 -3.939 -9.164 6.450 1.00 52.41 C ATOM 873 C PHE A 48 -3.563 -8.024 7.394 1.00 65.41 C ATOM 874 O PHE A 48 -4.439 -7.272 7.826 1.00 43.24 O ATOM 875 CB PHE A 48 -4.163 -8.592 5.036 1.00 3.43 C ATOM 876 CG PHE A 48 -4.141 -9.604 3.911 1.00 54.13 C ATOM 877 CD1 PHE A 48 -5.292 -10.364 3.618 1.00 12.33 C ATOM 878 CD2 PHE A 48 -2.934 -9.897 3.241 1.00 73.22 C ATOM 879 CE1 PHE A 48 -5.249 -11.336 2.629 1.00 31.21 C ATOM 880 CE2 PHE A 48 -2.917 -10.866 2.249 1.00 75.23 C ATOM 881 CZ PHE A 48 -4.069 -11.578 1.942 1.00 72.20 C ATOM 0 H PHE A 48 -5.908 -9.148 7.080 1.00 74.42 H new ATOM 0 HA PHE A 48 -3.137 -9.901 6.416 1.00 52.41 H new ATOM 0 HB2 PHE A 48 -5.124 -8.078 5.019 1.00 3.43 H new ATOM 0 HB3 PHE A 48 -3.397 -7.842 4.841 1.00 3.43 H new ATOM 0 HD1 PHE A 48 -6.207 -10.189 4.164 1.00 12.33 H new ATOM 0 HD2 PHE A 48 -2.028 -9.369 3.500 1.00 73.22 H new ATOM 0 HE1 PHE A 48 -6.136 -11.905 2.394 1.00 31.21 H new ATOM 0 HE2 PHE A 48 -2.002 -11.068 1.712 1.00 75.23 H new ATOM 0 HZ PHE A 48 -4.046 -12.325 1.163 1.00 72.20 H new ATOM 891 N LYS A 49 -2.250 -7.875 7.616 1.00 64.51 N ATOM 892 CA LYS A 49 -1.670 -6.672 8.196 1.00 74.12 C ATOM 893 C LYS A 49 -0.835 -5.994 7.103 1.00 23.12 C ATOM 894 O LYS A 49 -0.226 -6.683 6.286 1.00 32.45 O ATOM 895 CB LYS A 49 -0.809 -7.028 9.424 1.00 31.13 C ATOM 896 CG LYS A 49 -0.821 -5.911 10.477 1.00 65.33 C ATOM 897 CD LYS A 49 0.118 -6.166 11.662 1.00 22.54 C ATOM 898 CE LYS A 49 -0.308 -5.360 12.898 1.00 0.54 C ATOM 899 NZ LYS A 49 0.723 -5.373 13.946 1.00 11.34 N1+ ATOM 0 H LYS A 49 -1.562 -8.595 7.394 1.00 64.51 H new ATOM 0 HA LYS A 49 -2.448 -5.993 8.543 1.00 74.12 H new ATOM 0 HB2 LYS A 49 -1.178 -7.951 9.870 1.00 31.13 H new ATOM 0 HB3 LYS A 49 0.217 -7.216 9.106 1.00 31.13 H new ATOM 0 HG2 LYS A 49 -0.541 -4.972 10.000 1.00 65.33 H new ATOM 0 HG3 LYS A 49 -1.837 -5.788 10.851 1.00 65.33 H new ATOM 0 HD2 LYS A 49 0.122 -7.229 11.903 1.00 22.54 H new ATOM 0 HD3 LYS A 49 1.137 -5.898 11.385 1.00 22.54 H new ATOM 0 HE2 LYS A 49 -0.515 -4.330 12.606 1.00 0.54 H new ATOM 0 HE3 LYS A 49 -1.236 -5.771 13.297 1.00 0.54 H new ATOM 0 HZ1 LYS A 49 0.285 -5.601 14.861 1.00 11.34 H new ATOM 0 HZ2 LYS A 49 1.441 -6.090 13.718 1.00 11.34 H new ATOM 0 HZ3 LYS A 49 1.173 -4.437 14.002 1.00 11.34 H new ATOM 913 N PHE A 50 -0.830 -4.658 7.118 1.00 3.40 N ATOM 914 CA PHE A 50 -0.119 -3.799 6.180 1.00 12.22 C ATOM 915 C PHE A 50 0.495 -2.646 6.981 1.00 40.53 C ATOM 916 O PHE A 50 -0.149 -1.614 7.164 1.00 2.33 O ATOM 917 CB PHE A 50 -1.086 -3.320 5.066 1.00 4.42 C ATOM 918 CG PHE A 50 -1.057 -4.091 3.760 1.00 74.03 C ATOM 919 CD1 PHE A 50 -0.229 -3.664 2.700 1.00 50.23 C ATOM 920 CD2 PHE A 50 -1.779 -5.295 3.627 1.00 61.21 C ATOM 921 CE1 PHE A 50 -0.200 -4.382 1.511 1.00 41.23 C ATOM 922 CE2 PHE A 50 -1.730 -6.002 2.435 1.00 2.54 C ATOM 923 CZ PHE A 50 -0.954 -5.542 1.379 1.00 33.23 C ATOM 0 H PHE A 50 -1.347 -4.126 7.818 1.00 3.40 H new ATOM 0 HA PHE A 50 0.685 -4.333 5.673 1.00 12.22 H new ATOM 0 HB2 PHE A 50 -2.102 -3.355 5.459 1.00 4.42 H new ATOM 0 HB3 PHE A 50 -0.864 -2.275 4.849 1.00 4.42 H new ATOM 0 HD1 PHE A 50 0.381 -2.780 2.813 1.00 50.23 H new ATOM 0 HD2 PHE A 50 -2.369 -5.666 4.452 1.00 61.21 H new ATOM 0 HE1 PHE A 50 0.409 -4.038 0.688 1.00 41.23 H new ATOM 0 HE2 PHE A 50 -2.298 -6.914 2.327 1.00 2.54 H new ATOM 0 HZ PHE A 50 -0.936 -6.090 0.448 1.00 33.23 H new ATOM 933 N THR A 51 1.730 -2.856 7.460 1.00 53.41 N ATOM 934 CA THR A 51 2.547 -1.822 8.092 1.00 52.03 C ATOM 935 C THR A 51 3.296 -1.045 6.995 1.00 73.11 C ATOM 936 O THR A 51 3.925 -1.681 6.151 1.00 24.43 O ATOM 937 CB THR A 51 3.596 -2.437 9.058 1.00 20.44 C ATOM 938 OG1 THR A 51 2.941 -3.222 10.034 1.00 61.14 O ATOM 939 CG2 THR A 51 4.467 -1.405 9.799 1.00 52.31 C ATOM 0 H THR A 51 2.192 -3.764 7.416 1.00 53.41 H new ATOM 0 HA THR A 51 1.888 -1.168 8.664 1.00 52.03 H new ATOM 0 HB THR A 51 4.258 -3.026 8.424 1.00 20.44 H new ATOM 0 HG1 THR A 51 3.605 -3.610 10.641 1.00 61.14 H new ATOM 0 HG21 THR A 51 5.170 -1.923 10.451 1.00 52.31 H new ATOM 0 HG22 THR A 51 5.018 -0.806 9.074 1.00 52.31 H new ATOM 0 HG23 THR A 51 3.830 -0.754 10.398 1.00 52.31 H new ATOM 947 N ILE A 52 3.212 0.295 7.001 1.00 25.40 N ATOM 948 CA ILE A 52 3.894 1.152 6.028 1.00 53.13 C ATOM 949 C ILE A 52 4.560 2.306 6.791 1.00 32.23 C ATOM 950 O ILE A 52 3.861 3.143 7.358 1.00 61.24 O ATOM 951 CB ILE A 52 2.949 1.778 4.950 1.00 31.34 C ATOM 952 CG1 ILE A 52 2.007 0.748 4.284 1.00 71.24 C ATOM 953 CG2 ILE A 52 3.754 2.528 3.864 1.00 40.02 C ATOM 954 CD1 ILE A 52 0.631 0.671 4.959 1.00 52.10 C ATOM 0 H ILE A 52 2.664 0.814 7.687 1.00 25.40 H new ATOM 0 HA ILE A 52 4.606 0.518 5.500 1.00 53.13 H new ATOM 0 HB ILE A 52 2.321 2.486 5.491 1.00 31.34 H new ATOM 0 HG12 ILE A 52 1.876 1.009 3.234 1.00 71.24 H new ATOM 0 HG13 ILE A 52 2.475 -0.236 4.312 1.00 71.24 H new ATOM 0 HG21 ILE A 52 3.068 2.951 3.130 1.00 40.02 H new ATOM 0 HG22 ILE A 52 4.330 3.329 4.327 1.00 40.02 H new ATOM 0 HG23 ILE A 52 4.432 1.833 3.369 1.00 40.02 H new ATOM 0 HD11 ILE A 52 0.015 -0.069 4.447 1.00 52.10 H new ATOM 0 HD12 ILE A 52 0.753 0.381 6.003 1.00 52.10 H new ATOM 0 HD13 ILE A 52 0.145 1.646 4.907 1.00 52.10 H new ATOM 966 N THR A 53 5.899 2.342 6.752 1.00 2.25 N ATOM 967 CA THR A 53 6.705 3.443 7.266 1.00 34.41 C ATOM 968 C THR A 53 7.158 4.321 6.090 1.00 12.24 C ATOM 969 O THR A 53 7.662 3.784 5.106 1.00 50.34 O ATOM 970 CB THR A 53 7.975 2.927 7.991 1.00 3.33 C ATOM 971 OG1 THR A 53 7.584 2.052 9.031 1.00 41.31 O ATOM 972 CG2 THR A 53 8.850 4.031 8.613 1.00 74.21 C ATOM 0 H THR A 53 6.458 1.588 6.353 1.00 2.25 H new ATOM 0 HA THR A 53 6.095 4.004 7.974 1.00 34.41 H new ATOM 0 HB THR A 53 8.576 2.436 7.226 1.00 3.33 H new ATOM 0 HG1 THR A 53 8.380 1.719 9.495 1.00 41.31 H new ATOM 0 HG21 THR A 53 9.715 3.579 9.098 1.00 74.21 H new ATOM 0 HG22 THR A 53 9.187 4.712 7.831 1.00 74.21 H new ATOM 0 HG23 THR A 53 8.268 4.584 9.350 1.00 74.21 H new ATOM 980 N ALA A 54 6.987 5.645 6.223 1.00 42.32 N ATOM 981 CA ALA A 54 7.422 6.659 5.260 1.00 33.40 C ATOM 982 C ALA A 54 7.180 8.043 5.867 1.00 4.42 C ATOM 983 O ALA A 54 6.128 8.263 6.469 1.00 71.34 O ATOM 984 CB ALA A 54 6.676 6.527 3.916 1.00 22.53 C ATOM 0 H ALA A 54 6.524 6.051 7.036 1.00 42.32 H new ATOM 0 HA ALA A 54 8.483 6.516 5.053 1.00 33.40 H new ATOM 0 HB1 ALA A 54 7.026 7.297 3.228 1.00 22.53 H new ATOM 0 HB2 ALA A 54 6.868 5.543 3.488 1.00 22.53 H new ATOM 0 HB3 ALA A 54 5.605 6.648 4.081 1.00 22.53 H new ATOM 990 N GLY A 55 8.152 8.955 5.689 1.00 31.11 N ATOM 991 CA GLY A 55 8.106 10.310 6.244 1.00 55.23 C ATOM 992 C GLY A 55 8.189 10.300 7.781 1.00 64.53 C ATOM 993 O GLY A 55 7.484 11.077 8.424 1.00 72.42 O ATOM 0 H GLY A 55 8.997 8.766 5.150 1.00 31.11 H new ATOM 0 HA2 GLY A 55 8.930 10.897 5.839 1.00 55.23 H new ATOM 0 HA3 GLY A 55 7.183 10.799 5.933 1.00 55.23 H new ATOM 997 N SER A 56 9.001 9.386 8.348 1.00 20.05 N ATOM 998 CA SER A 56 9.250 9.120 9.774 1.00 64.53 C ATOM 999 C SER A 56 8.123 8.358 10.501 1.00 74.02 C ATOM 1000 O SER A 56 8.432 7.562 11.387 1.00 44.30 O ATOM 1001 CB SER A 56 9.638 10.400 10.556 1.00 55.44 C ATOM 1002 OG SER A 56 10.859 10.931 10.080 1.00 64.35 O ATOM 0 H SER A 56 9.550 8.757 7.761 1.00 20.05 H new ATOM 0 HA SER A 56 10.105 8.444 9.765 1.00 64.53 H new ATOM 0 HB2 SER A 56 8.849 11.145 10.456 1.00 55.44 H new ATOM 0 HB3 SER A 56 9.726 10.170 11.618 1.00 55.44 H new ATOM 0 HG SER A 56 11.084 11.739 10.586 1.00 64.35 H new ATOM 1008 N LYS A 57 6.855 8.607 10.133 1.00 63.33 N ATOM 1009 CA LYS A 57 5.671 8.000 10.745 1.00 55.45 C ATOM 1010 C LYS A 57 5.391 6.586 10.214 1.00 41.21 C ATOM 1011 O LYS A 57 5.892 6.220 9.149 1.00 52.43 O ATOM 1012 CB LYS A 57 4.469 8.963 10.586 1.00 2.22 C ATOM 1013 CG LYS A 57 3.972 9.282 9.158 1.00 75.24 C ATOM 1014 CD LYS A 57 3.197 8.149 8.452 1.00 51.34 C ATOM 1015 CE LYS A 57 2.130 8.663 7.480 1.00 72.22 C ATOM 1016 NZ LYS A 57 0.959 9.184 8.206 1.00 60.33 N1+ ATOM 0 H LYS A 57 6.624 9.255 9.380 1.00 63.33 H new ATOM 0 HA LYS A 57 5.856 7.858 11.810 1.00 55.45 H new ATOM 0 HB2 LYS A 57 3.631 8.545 11.144 1.00 2.22 H new ATOM 0 HB3 LYS A 57 4.732 9.906 11.065 1.00 2.22 H new ATOM 0 HG2 LYS A 57 3.331 10.162 9.204 1.00 75.24 H new ATOM 0 HG3 LYS A 57 4.833 9.546 8.544 1.00 75.24 H new ATOM 0 HD2 LYS A 57 3.901 7.519 7.908 1.00 51.34 H new ATOM 0 HD3 LYS A 57 2.721 7.519 9.204 1.00 51.34 H new ATOM 0 HE2 LYS A 57 2.552 9.448 6.853 1.00 72.22 H new ATOM 0 HE3 LYS A 57 1.820 7.857 6.815 1.00 72.22 H new ATOM 0 HZ1 LYS A 57 0.252 9.526 7.524 1.00 60.33 H new ATOM 0 HZ2 LYS A 57 0.544 8.426 8.785 1.00 60.33 H new ATOM 0 HZ3 LYS A 57 1.253 9.969 8.822 1.00 60.33 H new ATOM 1030 N VAL A 58 4.574 5.837 10.973 1.00 55.31 N ATOM 1031 CA VAL A 58 4.182 4.464 10.664 1.00 42.03 C ATOM 1032 C VAL A 58 2.645 4.366 10.632 1.00 54.23 C ATOM 1033 O VAL A 58 1.986 4.697 11.617 1.00 21.21 O ATOM 1034 CB VAL A 58 4.711 3.453 11.726 1.00 0.10 C ATOM 1035 CG1 VAL A 58 4.393 1.988 11.366 1.00 44.04 C ATOM 1036 CG2 VAL A 58 6.224 3.605 11.971 1.00 42.14 C ATOM 0 H VAL A 58 4.161 6.184 11.839 1.00 55.31 H new ATOM 0 HA VAL A 58 4.615 4.211 9.696 1.00 42.03 H new ATOM 0 HB VAL A 58 4.180 3.700 12.645 1.00 0.10 H new ATOM 0 HG11 VAL A 58 4.785 1.330 12.141 1.00 44.04 H new ATOM 0 HG12 VAL A 58 3.313 1.858 11.291 1.00 44.04 H new ATOM 0 HG13 VAL A 58 4.855 1.739 10.411 1.00 44.04 H new ATOM 0 HG21 VAL A 58 6.546 2.880 12.718 1.00 42.14 H new ATOM 0 HG22 VAL A 58 6.763 3.430 11.040 1.00 42.14 H new ATOM 0 HG23 VAL A 58 6.435 4.613 12.329 1.00 42.14 H new ATOM 1046 N ILE A 59 2.125 3.869 9.502 1.00 41.03 N ATOM 1047 CA ILE A 59 0.736 3.459 9.292 1.00 34.25 C ATOM 1048 C ILE A 59 0.653 1.950 9.588 1.00 14.03 C ATOM 1049 O ILE A 59 1.585 1.227 9.236 1.00 51.40 O ATOM 1050 CB ILE A 59 0.339 3.661 7.796 1.00 23.52 C ATOM 1051 CG1 ILE A 59 0.482 5.131 7.338 1.00 33.02 C ATOM 1052 CG2 ILE A 59 -1.061 3.132 7.408 1.00 24.12 C ATOM 1053 CD1 ILE A 59 0.959 5.252 5.886 1.00 72.32 C ATOM 0 H ILE A 59 2.695 3.736 8.667 1.00 41.03 H new ATOM 0 HA ILE A 59 0.077 4.045 9.932 1.00 34.25 H new ATOM 0 HB ILE A 59 1.061 3.042 7.264 1.00 23.52 H new ATOM 0 HG12 ILE A 59 -0.478 5.636 7.444 1.00 33.02 H new ATOM 0 HG13 ILE A 59 1.187 5.645 7.992 1.00 33.02 H new ATOM 0 HG21 ILE A 59 -1.241 3.320 6.350 1.00 24.12 H new ATOM 0 HG22 ILE A 59 -1.111 2.060 7.599 1.00 24.12 H new ATOM 0 HG23 ILE A 59 -1.820 3.642 8.001 1.00 24.12 H new ATOM 0 HD11 ILE A 59 1.042 6.305 5.617 1.00 72.32 H new ATOM 0 HD12 ILE A 59 1.933 4.773 5.782 1.00 72.32 H new ATOM 0 HD13 ILE A 59 0.242 4.764 5.226 1.00 72.32 H new ATOM 1065 N GLN A 60 -0.457 1.494 10.189 1.00 35.51 N ATOM 1066 CA GLN A 60 -0.754 0.074 10.381 1.00 42.05 C ATOM 1067 C GLN A 60 -2.215 -0.199 10.018 1.00 42.53 C ATOM 1068 O GLN A 60 -3.099 -0.082 10.866 1.00 43.10 O ATOM 1069 CB GLN A 60 -0.411 -0.395 11.812 1.00 21.23 C ATOM 1070 CG GLN A 60 1.100 -0.514 12.074 1.00 52.05 C ATOM 1071 CD GLN A 60 1.392 -1.217 13.397 1.00 73.31 C ATOM 1072 OE1 GLN A 60 1.471 -2.443 13.452 1.00 23.35 O ATOM 1073 NE2 GLN A 60 1.552 -0.442 14.472 1.00 13.55 N ATOM 0 H GLN A 60 -1.180 2.112 10.558 1.00 35.51 H new ATOM 0 HA GLN A 60 -0.120 -0.510 9.714 1.00 42.05 H new ATOM 0 HB2 GLN A 60 -0.842 0.305 12.528 1.00 21.23 H new ATOM 0 HB3 GLN A 60 -0.880 -1.363 11.991 1.00 21.23 H new ATOM 0 HG2 GLN A 60 1.568 -1.065 11.258 1.00 52.05 H new ATOM 0 HG3 GLN A 60 1.547 0.480 12.084 1.00 52.05 H new ATOM 0 HE21 GLN A 60 1.479 0.572 14.385 1.00 13.55 H new ATOM 0 HE22 GLN A 60 1.747 -0.863 15.380 1.00 13.55 H new ATOM 1082 N ASN A 61 -2.427 -0.587 8.752 1.00 23.42 N ATOM 1083 CA ASN A 61 -3.686 -1.133 8.256 1.00 41.34 C ATOM 1084 C ASN A 61 -3.864 -2.574 8.755 1.00 52.20 C ATOM 1085 O ASN A 61 -2.918 -3.362 8.719 1.00 25.44 O ATOM 1086 CB ASN A 61 -3.686 -1.090 6.712 1.00 25.31 C ATOM 1087 CG ASN A 61 -3.823 0.319 6.147 1.00 33.31 C ATOM 1088 OD1 ASN A 61 -2.847 0.917 5.700 1.00 52.35 O ATOM 1089 ND2 ASN A 61 -5.044 0.845 6.152 1.00 11.11 N ATOM 0 H ASN A 61 -1.707 -0.526 8.032 1.00 23.42 H new ATOM 0 HA ASN A 61 -4.518 -0.535 8.629 1.00 41.34 H new ATOM 0 HB2 ASN A 61 -2.761 -1.533 6.343 1.00 25.31 H new ATOM 0 HB3 ASN A 61 -4.505 -1.705 6.339 1.00 25.31 H new ATOM 0 HD21 ASN A 61 -5.198 1.780 5.775 1.00 11.11 H new ATOM 0 HD22 ASN A 61 -5.827 0.313 6.533 1.00 11.11 H new ATOM 1096 N GLU A 62 -5.094 -2.876 9.183 1.00 40.14 N ATOM 1097 CA GLU A 62 -5.555 -4.199 9.590 1.00 21.24 C ATOM 1098 C GLU A 62 -6.917 -4.426 8.933 1.00 44.03 C ATOM 1099 O GLU A 62 -7.813 -3.595 9.095 1.00 14.33 O ATOM 1100 CB GLU A 62 -5.671 -4.274 11.128 1.00 43.32 C ATOM 1101 CG GLU A 62 -4.327 -4.525 11.836 1.00 34.42 C ATOM 1102 CD GLU A 62 -4.425 -4.571 13.363 1.00 31.11 C ATOM 1103 OE1 GLU A 62 -5.559 -4.538 13.890 1.00 31.44 O ATOM 1104 OE2 GLU A 62 -3.345 -4.643 13.989 1.00 11.32 O1- ATOM 0 H GLU A 62 -5.826 -2.169 9.257 1.00 40.14 H new ATOM 0 HA GLU A 62 -4.850 -4.969 9.278 1.00 21.24 H new ATOM 0 HB2 GLU A 62 -6.098 -3.342 11.498 1.00 43.32 H new ATOM 0 HB3 GLU A 62 -6.366 -5.071 11.393 1.00 43.32 H new ATOM 0 HG2 GLU A 62 -3.912 -5.468 11.481 1.00 34.42 H new ATOM 0 HG3 GLU A 62 -3.626 -3.740 11.551 1.00 34.42 H new ATOM 1111 N PHE A 63 -7.049 -5.549 8.213 1.00 33.11 N ATOM 1112 CA PHE A 63 -8.285 -5.928 7.537 1.00 33.44 C ATOM 1113 C PHE A 63 -8.337 -7.422 7.236 1.00 12.32 C ATOM 1114 O PHE A 63 -7.298 -8.067 7.153 1.00 41.43 O ATOM 1115 CB PHE A 63 -8.519 -5.076 6.267 1.00 71.24 C ATOM 1116 CG PHE A 63 -7.448 -5.161 5.191 1.00 63.13 C ATOM 1117 CD1 PHE A 63 -6.378 -4.241 5.181 1.00 51.23 C ATOM 1118 CD2 PHE A 63 -7.433 -6.240 4.280 1.00 40.24 C ATOM 1119 CE1 PHE A 63 -5.368 -4.362 4.237 1.00 20.42 C ATOM 1120 CE2 PHE A 63 -6.408 -6.348 3.350 1.00 73.04 C ATOM 1121 CZ PHE A 63 -5.389 -5.407 3.320 1.00 52.40 C ATOM 0 H PHE A 63 -6.292 -6.221 8.086 1.00 33.11 H new ATOM 0 HA PHE A 63 -9.105 -5.718 8.224 1.00 33.44 H new ATOM 0 HB2 PHE A 63 -9.471 -5.373 5.826 1.00 71.24 H new ATOM 0 HB3 PHE A 63 -8.619 -4.033 6.568 1.00 71.24 H new ATOM 0 HD1 PHE A 63 -6.345 -3.443 5.908 1.00 51.23 H new ATOM 0 HD2 PHE A 63 -8.218 -6.981 4.307 1.00 40.24 H new ATOM 0 HE1 PHE A 63 -4.563 -3.642 4.215 1.00 20.42 H new ATOM 0 HE2 PHE A 63 -6.404 -7.168 2.647 1.00 73.04 H new ATOM 0 HZ PHE A 63 -4.607 -5.487 2.579 1.00 52.40 H new ATOM 1131 N THR A 64 -9.561 -7.923 7.031 1.00 34.14 N ATOM 1132 CA THR A 64 -9.838 -9.292 6.624 1.00 3.13 C ATOM 1133 C THR A 64 -10.598 -9.255 5.295 1.00 74.33 C ATOM 1134 O THR A 64 -11.626 -8.586 5.209 1.00 14.33 O ATOM 1135 CB THR A 64 -10.693 -10.024 7.691 1.00 62.34 C ATOM 1136 OG1 THR A 64 -9.959 -10.098 8.899 1.00 32.13 O ATOM 1137 CG2 THR A 64 -11.114 -11.454 7.314 1.00 71.51 C ATOM 0 H THR A 64 -10.406 -7.365 7.149 1.00 34.14 H new ATOM 0 HA THR A 64 -8.898 -9.833 6.514 1.00 3.13 H new ATOM 0 HB THR A 64 -11.607 -9.438 7.783 1.00 62.34 H new ATOM 0 HG1 THR A 64 -10.494 -10.558 9.579 1.00 32.13 H new ATOM 0 HG21 THR A 64 -11.707 -11.883 8.121 1.00 71.51 H new ATOM 0 HG22 THR A 64 -11.708 -11.430 6.400 1.00 71.51 H new ATOM 0 HG23 THR A 64 -10.225 -12.064 7.153 1.00 71.51 H new ATOM 1145 N VAL A 65 -10.059 -9.946 4.273 1.00 1.44 N ATOM 1146 CA VAL A 65 -10.622 -9.952 2.923 1.00 54.10 C ATOM 1147 C VAL A 65 -11.938 -10.751 2.857 1.00 54.34 C ATOM 1148 O VAL A 65 -12.035 -11.836 3.432 1.00 74.41 O ATOM 1149 CB VAL A 65 -9.624 -10.478 1.851 1.00 62.42 C ATOM 1150 CG1 VAL A 65 -8.388 -9.569 1.772 1.00 54.54 C ATOM 1151 CG2 VAL A 65 -9.223 -11.963 1.972 1.00 44.43 C ATOM 0 H VAL A 65 -9.218 -10.516 4.368 1.00 1.44 H new ATOM 0 HA VAL A 65 -10.833 -8.909 2.689 1.00 54.10 H new ATOM 0 HB VAL A 65 -10.178 -10.435 0.913 1.00 62.42 H new ATOM 0 HG11 VAL A 65 -7.702 -9.953 1.017 1.00 54.54 H new ATOM 0 HG12 VAL A 65 -8.696 -8.559 1.502 1.00 54.54 H new ATOM 0 HG13 VAL A 65 -7.888 -9.550 2.740 1.00 54.54 H new ATOM 0 HG21 VAL A 65 -8.526 -12.218 1.174 1.00 44.43 H new ATOM 0 HG22 VAL A 65 -8.747 -12.134 2.938 1.00 44.43 H new ATOM 0 HG23 VAL A 65 -10.112 -12.588 1.890 1.00 44.43 H new ATOM 1161 N GLY A 66 -12.935 -10.155 2.185 1.00 74.31 N ATOM 1162 CA GLY A 66 -14.307 -10.654 2.095 1.00 2.14 C ATOM 1163 C GLY A 66 -15.189 -10.169 3.263 1.00 14.12 C ATOM 1164 O GLY A 66 -16.409 -10.293 3.165 1.00 1.40 O ATOM 0 H GLY A 66 -12.799 -9.283 1.674 1.00 74.31 H new ATOM 0 HA2 GLY A 66 -14.747 -10.329 1.152 1.00 2.14 H new ATOM 0 HA3 GLY A 66 -14.294 -11.744 2.082 1.00 2.14 H new ATOM 1168 N GLU A 67 -14.601 -9.600 4.332 1.00 62.22 N ATOM 1169 CA GLU A 67 -15.301 -8.975 5.458 1.00 2.33 C ATOM 1170 C GLU A 67 -15.064 -7.459 5.445 1.00 4.41 C ATOM 1171 O GLU A 67 -14.084 -6.994 4.860 1.00 32.14 O ATOM 1172 CB GLU A 67 -14.779 -9.554 6.790 1.00 31.54 C ATOM 1173 CG GLU A 67 -15.057 -11.056 6.981 1.00 14.13 C ATOM 1174 CD GLU A 67 -14.705 -11.564 8.385 1.00 5.44 C ATOM 1175 OE1 GLU A 67 -15.310 -12.586 8.778 1.00 65.44 O ATOM 1176 OE2 GLU A 67 -13.845 -10.938 9.043 1.00 14.02 O1- ATOM 0 H GLU A 67 -13.587 -9.564 4.434 1.00 62.22 H new ATOM 0 HA GLU A 67 -16.367 -9.180 5.363 1.00 2.33 H new ATOM 0 HB2 GLU A 67 -13.704 -9.385 6.849 1.00 31.54 H new ATOM 0 HB3 GLU A 67 -15.234 -9.005 7.614 1.00 31.54 H new ATOM 0 HG2 GLU A 67 -16.111 -11.251 6.785 1.00 14.13 H new ATOM 0 HG3 GLU A 67 -14.486 -11.621 6.244 1.00 14.13 H new ATOM 1183 N GLU A 68 -15.946 -6.716 6.137 1.00 71.35 N ATOM 1184 CA GLU A 68 -15.733 -5.297 6.413 1.00 12.25 C ATOM 1185 C GLU A 68 -14.756 -5.139 7.586 1.00 3.41 C ATOM 1186 O GLU A 68 -14.942 -5.765 8.630 1.00 31.22 O ATOM 1187 CB GLU A 68 -17.070 -4.586 6.693 1.00 12.34 C ATOM 1188 CG GLU A 68 -16.923 -3.051 6.767 1.00 14.12 C ATOM 1189 CD GLU A 68 -18.244 -2.366 7.096 1.00 40.53 C ATOM 1190 OE1 GLU A 68 -18.954 -1.998 6.136 1.00 12.21 O ATOM 1191 OE2 GLU A 68 -18.514 -2.219 8.307 1.00 55.12 O1- ATOM 0 H GLU A 68 -16.818 -7.085 6.515 1.00 71.35 H new ATOM 0 HA GLU A 68 -15.295 -4.825 5.534 1.00 12.25 H new ATOM 0 HB2 GLU A 68 -17.784 -4.841 5.910 1.00 12.34 H new ATOM 0 HB3 GLU A 68 -17.483 -4.953 7.633 1.00 12.34 H new ATOM 0 HG2 GLU A 68 -16.183 -2.794 7.525 1.00 14.12 H new ATOM 0 HG3 GLU A 68 -16.548 -2.676 5.815 1.00 14.12 H new ATOM 1198 N CYS A 69 -13.759 -4.271 7.382 1.00 35.11 N ATOM 1199 CA CYS A 69 -12.779 -3.836 8.374 1.00 24.14 C ATOM 1200 C CYS A 69 -12.478 -2.349 8.129 1.00 1.24 C ATOM 1201 O CYS A 69 -13.008 -1.764 7.185 1.00 23.03 O ATOM 1202 CB CYS A 69 -11.500 -4.691 8.324 1.00 31.21 C ATOM 1203 SG CYS A 69 -11.749 -6.292 9.144 1.00 73.13 S ATOM 0 H CYS A 69 -13.609 -3.833 6.473 1.00 35.11 H new ATOM 0 HA CYS A 69 -13.188 -3.967 9.376 1.00 24.14 H new ATOM 0 HB2 CYS A 69 -11.207 -4.852 7.286 1.00 31.21 H new ATOM 0 HB3 CYS A 69 -10.682 -4.156 8.806 1.00 31.21 H new ATOM 0 HG CYS A 69 -13.022 -6.542 9.231 1.00 73.13 H new ATOM 1209 N GLU A 70 -11.667 -1.740 9.007 1.00 32.42 N ATOM 1210 CA GLU A 70 -11.478 -0.294 9.039 1.00 52.30 C ATOM 1211 C GLU A 70 -10.026 0.062 8.698 1.00 74.34 C ATOM 1212 O GLU A 70 -9.124 -0.203 9.495 1.00 25.25 O ATOM 1213 CB GLU A 70 -11.956 0.207 10.415 1.00 50.13 C ATOM 1214 CG GLU A 70 -12.295 1.706 10.420 1.00 14.35 C ATOM 1215 CD GLU A 70 -12.851 2.214 11.751 1.00 23.31 C ATOM 1216 OE1 GLU A 70 -12.994 3.448 11.860 1.00 55.42 O ATOM 1217 OE2 GLU A 70 -13.175 1.372 12.618 1.00 61.02 O1- ATOM 0 H GLU A 70 -11.127 -2.242 9.712 1.00 32.42 H new ATOM 0 HA GLU A 70 -12.072 0.214 8.279 1.00 52.30 H new ATOM 0 HB2 GLU A 70 -12.836 -0.361 10.717 1.00 50.13 H new ATOM 0 HB3 GLU A 70 -11.181 0.012 11.156 1.00 50.13 H new ATOM 0 HG2 GLU A 70 -11.397 2.272 10.174 1.00 14.35 H new ATOM 0 HG3 GLU A 70 -13.023 1.906 9.634 1.00 14.35 H new ATOM 1224 N LEU A 71 -9.838 0.647 7.503 1.00 24.32 N ATOM 1225 CA LEU A 71 -8.544 1.065 6.967 1.00 60.35 C ATOM 1226 C LEU A 71 -8.153 2.443 7.507 1.00 15.41 C ATOM 1227 O LEU A 71 -8.920 3.395 7.361 1.00 44.21 O ATOM 1228 CB LEU A 71 -8.589 1.111 5.416 1.00 65.33 C ATOM 1229 CG LEU A 71 -8.176 -0.207 4.727 1.00 22.45 C ATOM 1230 CD1 LEU A 71 -9.100 -1.383 5.074 1.00 60.14 C ATOM 1231 CD2 LEU A 71 -8.024 -0.023 3.207 1.00 4.32 C ATOM 0 H LEU A 71 -10.611 0.846 6.868 1.00 24.32 H new ATOM 0 HA LEU A 71 -7.798 0.336 7.284 1.00 60.35 H new ATOM 0 HB2 LEU A 71 -9.600 1.370 5.101 1.00 65.33 H new ATOM 0 HB3 LEU A 71 -7.933 1.909 5.069 1.00 65.33 H new ATOM 0 HG LEU A 71 -7.197 -0.471 5.128 1.00 22.45 H new ATOM 0 HD11 LEU A 71 -8.757 -2.280 4.559 1.00 60.14 H new ATOM 0 HD12 LEU A 71 -9.083 -1.554 6.150 1.00 60.14 H new ATOM 0 HD13 LEU A 71 -10.118 -1.151 4.760 1.00 60.14 H new ATOM 0 HD21 LEU A 71 -7.733 -0.970 2.753 1.00 4.32 H new ATOM 0 HD22 LEU A 71 -8.973 0.305 2.784 1.00 4.32 H new ATOM 0 HD23 LEU A 71 -7.258 0.726 3.006 1.00 4.32 H new ATOM 1243 N GLU A 72 -6.917 2.520 8.027 1.00 40.11 N ATOM 1244 CA GLU A 72 -6.179 3.757 8.256 1.00 5.22 C ATOM 1245 C GLU A 72 -5.730 4.384 6.915 1.00 54.31 C ATOM 1246 O GLU A 72 -5.548 3.666 5.931 1.00 55.05 O ATOM 1247 CB GLU A 72 -4.990 3.448 9.197 1.00 30.20 C ATOM 1248 CG GLU A 72 -4.159 4.685 9.611 1.00 61.31 C ATOM 1249 CD GLU A 72 -3.003 4.384 10.568 1.00 64.43 C ATOM 1250 OE1 GLU A 72 -2.730 3.191 10.818 1.00 32.23 O ATOM 1251 OE2 GLU A 72 -2.377 5.374 11.008 1.00 12.31 O1- ATOM 0 H GLU A 72 -6.393 1.691 8.306 1.00 40.11 H new ATOM 0 HA GLU A 72 -6.817 4.499 8.736 1.00 5.22 H new ATOM 0 HB2 GLU A 72 -5.372 2.965 10.097 1.00 30.20 H new ATOM 0 HB3 GLU A 72 -4.331 2.732 8.706 1.00 30.20 H new ATOM 0 HG2 GLU A 72 -3.757 5.154 8.713 1.00 61.31 H new ATOM 0 HG3 GLU A 72 -4.822 5.412 10.080 1.00 61.31 H new ATOM 1258 N THR A 73 -5.554 5.711 6.906 1.00 14.12 N ATOM 1259 CA THR A 73 -5.125 6.486 5.740 1.00 13.34 C ATOM 1260 C THR A 73 -3.756 7.157 5.994 1.00 65.20 C ATOM 1261 O THR A 73 -3.240 7.126 7.112 1.00 23.23 O ATOM 1262 CB THR A 73 -6.180 7.581 5.413 1.00 62.31 C ATOM 1263 OG1 THR A 73 -6.159 8.661 6.328 1.00 65.12 O ATOM 1264 CG2 THR A 73 -7.613 7.032 5.283 1.00 60.04 C ATOM 0 H THR A 73 -5.711 6.288 7.732 1.00 14.12 H new ATOM 0 HA THR A 73 -5.029 5.802 4.897 1.00 13.34 H new ATOM 0 HB THR A 73 -5.880 7.958 4.435 1.00 62.31 H new ATOM 0 HG1 THR A 73 -6.155 9.508 5.835 1.00 65.12 H new ATOM 0 HG21 THR A 73 -8.297 7.850 5.054 1.00 60.04 H new ATOM 0 HG22 THR A 73 -7.649 6.294 4.481 1.00 60.04 H new ATOM 0 HG23 THR A 73 -7.909 6.563 6.221 1.00 60.04 H new ATOM 1272 N MET A 74 -3.207 7.783 4.936 1.00 72.21 N ATOM 1273 CA MET A 74 -1.998 8.617 4.972 1.00 42.23 C ATOM 1274 C MET A 74 -2.096 9.827 5.925 1.00 45.20 C ATOM 1275 O MET A 74 -1.064 10.259 6.440 1.00 11.12 O ATOM 1276 CB MET A 74 -1.694 9.130 3.549 1.00 54.15 C ATOM 1277 CG MET A 74 -1.304 8.068 2.506 1.00 21.54 C ATOM 1278 SD MET A 74 0.157 7.051 2.862 1.00 51.13 S ATOM 1279 CE MET A 74 1.411 8.315 3.214 1.00 13.43 C ATOM 0 H MET A 74 -3.610 7.718 4.001 1.00 72.21 H new ATOM 0 HA MET A 74 -1.199 7.981 5.354 1.00 42.23 H new ATOM 0 HB2 MET A 74 -2.572 9.662 3.183 1.00 54.15 H new ATOM 0 HB3 MET A 74 -0.885 9.858 3.614 1.00 54.15 H new ATOM 0 HG2 MET A 74 -2.155 7.401 2.369 1.00 21.54 H new ATOM 0 HG3 MET A 74 -1.140 8.574 1.554 1.00 21.54 H new ATOM 0 HE1 MET A 74 2.388 7.842 3.309 1.00 13.43 H new ATOM 0 HE2 MET A 74 1.436 9.039 2.400 1.00 13.43 H new ATOM 0 HE3 MET A 74 1.163 8.824 4.145 1.00 13.43 H new ATOM 1289 N THR A 75 -3.317 10.351 6.136 1.00 42.35 N ATOM 1290 CA THR A 75 -3.608 11.509 6.985 1.00 12.24 C ATOM 1291 C THR A 75 -3.915 11.133 8.455 1.00 50.13 C ATOM 1292 O THR A 75 -4.131 12.041 9.257 1.00 10.31 O ATOM 1293 CB THR A 75 -4.815 12.321 6.420 1.00 54.03 C ATOM 1294 OG1 THR A 75 -6.066 11.699 6.639 1.00 22.32 O ATOM 1295 CG2 THR A 75 -4.710 12.675 4.931 1.00 32.15 C ATOM 0 H THR A 75 -4.154 9.962 5.702 1.00 42.35 H new ATOM 0 HA THR A 75 -2.700 12.112 6.976 1.00 12.24 H new ATOM 0 HB THR A 75 -4.761 13.245 6.995 1.00 54.03 H new ATOM 0 HG1 THR A 75 -6.779 12.257 6.264 1.00 22.32 H new ATOM 0 HG21 THR A 75 -5.593 13.238 4.628 1.00 32.15 H new ATOM 0 HG22 THR A 75 -3.818 13.279 4.763 1.00 32.15 H new ATOM 0 HG23 THR A 75 -4.644 11.759 4.343 1.00 32.15 H new ATOM 1303 N GLY A 76 -3.935 9.829 8.795 1.00 72.11 N ATOM 1304 CA GLY A 76 -4.230 9.343 10.146 1.00 42.54 C ATOM 1305 C GLY A 76 -5.742 9.294 10.437 1.00 52.34 C ATOM 1306 O GLY A 76 -6.127 9.264 11.605 1.00 50.44 O ATOM 0 H GLY A 76 -3.744 9.081 8.129 1.00 72.11 H new ATOM 0 HA2 GLY A 76 -3.807 8.346 10.271 1.00 42.54 H new ATOM 0 HA3 GLY A 76 -3.743 9.990 10.876 1.00 42.54 H new ATOM 1310 N GLU A 77 -6.587 9.284 9.391 1.00 21.31 N ATOM 1311 CA GLU A 77 -8.037 9.073 9.465 1.00 22.12 C ATOM 1312 C GLU A 77 -8.334 7.563 9.386 1.00 21.20 C ATOM 1313 O GLU A 77 -7.462 6.798 8.975 1.00 41.31 O ATOM 1314 CB GLU A 77 -8.690 9.848 8.288 1.00 15.43 C ATOM 1315 CG GLU A 77 -9.834 10.797 8.695 1.00 15.44 C ATOM 1316 CD GLU A 77 -11.095 10.064 9.137 1.00 51.14 C ATOM 1317 OE1 GLU A 77 -11.150 9.689 10.328 1.00 5.31 O ATOM 1318 OE2 GLU A 77 -11.972 9.880 8.265 1.00 25.15 O1- ATOM 0 H GLU A 77 -6.262 9.429 8.435 1.00 21.31 H new ATOM 0 HA GLU A 77 -8.447 9.442 10.405 1.00 22.12 H new ATOM 0 HB2 GLU A 77 -7.919 10.428 7.781 1.00 15.43 H new ATOM 0 HB3 GLU A 77 -9.074 9.128 7.566 1.00 15.43 H new ATOM 0 HG2 GLU A 77 -9.492 11.440 9.506 1.00 15.44 H new ATOM 0 HG3 GLU A 77 -10.075 11.446 7.853 1.00 15.44 H new ATOM 1325 N LYS A 78 -9.563 7.165 9.753 1.00 55.25 N ATOM 1326 CA LYS A 78 -10.049 5.790 9.634 1.00 3.40 C ATOM 1327 C LYS A 78 -11.455 5.762 9.015 1.00 71.00 C ATOM 1328 O LYS A 78 -12.297 6.577 9.392 1.00 4.24 O ATOM 1329 CB LYS A 78 -10.048 5.094 11.012 1.00 55.15 C ATOM 1330 CG LYS A 78 -8.647 4.811 11.589 1.00 73.24 C ATOM 1331 CD LYS A 78 -8.592 3.531 12.442 1.00 1.34 C ATOM 1332 CE LYS A 78 -8.512 2.256 11.583 1.00 24.13 C ATOM 1333 NZ LYS A 78 -8.617 1.037 12.397 1.00 73.22 N1+ ATOM 0 H LYS A 78 -10.254 7.804 10.146 1.00 55.25 H new ATOM 0 HA LYS A 78 -9.375 5.245 8.973 1.00 3.40 H new ATOM 0 HB2 LYS A 78 -10.598 5.716 11.718 1.00 55.15 H new ATOM 0 HB3 LYS A 78 -10.589 4.151 10.928 1.00 55.15 H new ATOM 0 HG2 LYS A 78 -7.934 4.725 10.769 1.00 73.24 H new ATOM 0 HG3 LYS A 78 -8.333 5.659 12.197 1.00 73.24 H new ATOM 0 HD2 LYS A 78 -7.727 3.575 13.103 1.00 1.34 H new ATOM 0 HD3 LYS A 78 -9.476 3.483 13.077 1.00 1.34 H new ATOM 0 HE2 LYS A 78 -9.311 2.267 10.842 1.00 24.13 H new ATOM 0 HE3 LYS A 78 -7.570 2.246 11.035 1.00 24.13 H new ATOM 0 HZ1 LYS A 78 -8.864 0.232 11.786 1.00 73.22 H new ATOM 0 HZ2 LYS A 78 -7.706 0.851 12.863 1.00 73.22 H new ATOM 0 HZ3 LYS A 78 -9.356 1.164 13.118 1.00 73.22 H new ATOM 1347 N VAL A 79 -11.688 4.798 8.105 1.00 1.35 N ATOM 1348 CA VAL A 79 -12.981 4.561 7.452 1.00 52.00 C ATOM 1349 C VAL A 79 -13.180 3.064 7.151 1.00 21.12 C ATOM 1350 O VAL A 79 -12.221 2.368 6.811 1.00 51.44 O ATOM 1351 CB VAL A 79 -13.142 5.351 6.120 1.00 52.22 C ATOM 1352 CG1 VAL A 79 -13.287 6.864 6.349 1.00 21.11 C ATOM 1353 CG2 VAL A 79 -12.057 5.056 5.065 1.00 11.12 C ATOM 0 H VAL A 79 -10.963 4.149 7.799 1.00 1.35 H new ATOM 0 HA VAL A 79 -13.734 4.914 8.156 1.00 52.00 H new ATOM 0 HB VAL A 79 -14.076 4.977 5.700 1.00 52.22 H new ATOM 0 HG11 VAL A 79 -13.396 7.368 5.389 1.00 21.11 H new ATOM 0 HG12 VAL A 79 -14.167 7.056 6.962 1.00 21.11 H new ATOM 0 HG13 VAL A 79 -12.400 7.242 6.858 1.00 21.11 H new ATOM 0 HG21 VAL A 79 -12.248 5.649 4.171 1.00 11.12 H new ATOM 0 HG22 VAL A 79 -11.078 5.313 5.469 1.00 11.12 H new ATOM 0 HG23 VAL A 79 -12.077 3.997 4.809 1.00 11.12 H new ATOM 1363 N LYS A 80 -14.436 2.604 7.290 1.00 53.10 N ATOM 1364 CA LYS A 80 -14.851 1.217 7.071 1.00 4.31 C ATOM 1365 C LYS A 80 -15.033 0.888 5.580 1.00 51.25 C ATOM 1366 O LYS A 80 -15.551 1.716 4.831 1.00 64.23 O ATOM 1367 CB LYS A 80 -16.127 0.934 7.892 1.00 10.51 C ATOM 1368 CG LYS A 80 -15.842 0.789 9.398 1.00 11.33 C ATOM 1369 CD LYS A 80 -17.107 0.518 10.228 1.00 15.03 C ATOM 1370 CE LYS A 80 -16.822 -0.012 11.644 1.00 54.32 C ATOM 1371 NZ LYS A 80 -16.077 0.953 12.472 1.00 45.32 N1+ ATOM 0 H LYS A 80 -15.209 3.209 7.566 1.00 53.10 H new ATOM 0 HA LYS A 80 -14.056 0.556 7.417 1.00 4.31 H new ATOM 0 HB2 LYS A 80 -16.841 1.743 7.737 1.00 10.51 H new ATOM 0 HB3 LYS A 80 -16.596 0.021 7.525 1.00 10.51 H new ATOM 0 HG2 LYS A 80 -15.133 -0.025 9.551 1.00 11.33 H new ATOM 0 HG3 LYS A 80 -15.365 1.699 9.761 1.00 11.33 H new ATOM 0 HD2 LYS A 80 -17.684 1.440 10.305 1.00 15.03 H new ATOM 0 HD3 LYS A 80 -17.729 -0.204 9.699 1.00 15.03 H new ATOM 0 HE2 LYS A 80 -17.765 -0.253 12.134 1.00 54.32 H new ATOM 0 HE3 LYS A 80 -16.253 -0.939 11.573 1.00 54.32 H new ATOM 0 HZ1 LYS A 80 -16.268 0.768 13.477 1.00 45.32 H new ATOM 0 HZ2 LYS A 80 -15.058 0.853 12.289 1.00 45.32 H new ATOM 0 HZ3 LYS A 80 -16.378 1.920 12.235 1.00 45.32 H new ATOM 1385 N THR A 81 -14.601 -0.323 5.192 1.00 62.20 N ATOM 1386 CA THR A 81 -14.594 -0.812 3.813 1.00 53.21 C ATOM 1387 C THR A 81 -14.336 -2.334 3.759 1.00 74.41 C ATOM 1388 O THR A 81 -13.643 -2.873 4.622 1.00 1.11 O ATOM 1389 CB THR A 81 -13.532 -0.066 2.945 1.00 31.43 C ATOM 1390 OG1 THR A 81 -13.527 -0.545 1.614 1.00 61.52 O ATOM 1391 CG2 THR A 81 -12.084 -0.175 3.459 1.00 11.41 C ATOM 0 H THR A 81 -14.236 -1.007 5.855 1.00 62.20 H new ATOM 0 HA THR A 81 -15.582 -0.609 3.401 1.00 53.21 H new ATOM 0 HB THR A 81 -13.842 0.977 3.005 1.00 31.43 H new ATOM 0 HG1 THR A 81 -13.245 0.173 1.009 1.00 61.52 H new ATOM 0 HG21 THR A 81 -11.419 0.374 2.792 1.00 11.41 H new ATOM 0 HG22 THR A 81 -12.021 0.247 4.462 1.00 11.41 H new ATOM 0 HG23 THR A 81 -11.786 -1.223 3.487 1.00 11.41 H new ATOM 1399 N VAL A 82 -14.887 -2.990 2.726 1.00 54.21 N ATOM 1400 CA VAL A 82 -14.687 -4.412 2.452 1.00 2.52 C ATOM 1401 C VAL A 82 -13.574 -4.559 1.395 1.00 71.31 C ATOM 1402 O VAL A 82 -13.789 -4.219 0.230 1.00 45.34 O ATOM 1403 CB VAL A 82 -15.987 -5.080 1.912 1.00 3.10 C ATOM 1404 CG1 VAL A 82 -15.810 -6.579 1.584 1.00 13.34 C ATOM 1405 CG2 VAL A 82 -17.164 -4.920 2.887 1.00 41.33 C ATOM 0 H VAL A 82 -15.496 -2.533 2.047 1.00 54.21 H new ATOM 0 HA VAL A 82 -14.412 -4.907 3.383 1.00 2.52 H new ATOM 0 HB VAL A 82 -16.208 -4.552 0.984 1.00 3.10 H new ATOM 0 HG11 VAL A 82 -16.752 -6.984 1.213 1.00 13.34 H new ATOM 0 HG12 VAL A 82 -15.039 -6.696 0.822 1.00 13.34 H new ATOM 0 HG13 VAL A 82 -15.514 -7.116 2.485 1.00 13.34 H new ATOM 0 HG21 VAL A 82 -18.049 -5.400 2.471 1.00 41.33 H new ATOM 0 HG22 VAL A 82 -16.913 -5.386 3.840 1.00 41.33 H new ATOM 0 HG23 VAL A 82 -17.366 -3.860 3.043 1.00 41.33 H new ATOM 1415 N VAL A 83 -12.408 -5.071 1.822 1.00 50.33 N ATOM 1416 CA VAL A 83 -11.292 -5.388 0.926 1.00 1.45 C ATOM 1417 C VAL A 83 -11.526 -6.765 0.273 1.00 42.54 C ATOM 1418 O VAL A 83 -12.112 -7.647 0.899 1.00 75.24 O ATOM 1419 CB VAL A 83 -9.925 -5.416 1.674 1.00 14.31 C ATOM 1420 CG1 VAL A 83 -8.717 -5.641 0.733 1.00 11.14 C ATOM 1421 CG2 VAL A 83 -9.701 -4.137 2.500 1.00 54.42 C ATOM 0 H VAL A 83 -12.216 -5.276 2.802 1.00 50.33 H new ATOM 0 HA VAL A 83 -11.251 -4.603 0.171 1.00 1.45 H new ATOM 0 HB VAL A 83 -9.985 -6.273 2.345 1.00 14.31 H new ATOM 0 HG11 VAL A 83 -7.797 -5.650 1.318 1.00 11.14 H new ATOM 0 HG12 VAL A 83 -8.829 -6.596 0.219 1.00 11.14 H new ATOM 0 HG13 VAL A 83 -8.673 -4.836 -0.001 1.00 11.14 H new ATOM 0 HG21 VAL A 83 -8.737 -4.195 3.006 1.00 54.42 H new ATOM 0 HG22 VAL A 83 -9.712 -3.270 1.839 1.00 54.42 H new ATOM 0 HG23 VAL A 83 -10.495 -4.039 3.241 1.00 54.42 H new ATOM 1431 N GLN A 84 -11.071 -6.910 -0.978 1.00 2.21 N ATOM 1432 CA GLN A 84 -11.194 -8.120 -1.789 1.00 63.42 C ATOM 1433 C GLN A 84 -9.808 -8.642 -2.191 1.00 34.52 C ATOM 1434 O GLN A 84 -8.838 -7.883 -2.189 1.00 4.42 O ATOM 1435 CB GLN A 84 -12.031 -7.784 -3.045 1.00 11.40 C ATOM 1436 CG GLN A 84 -13.504 -7.406 -2.766 1.00 5.34 C ATOM 1437 CD GLN A 84 -14.330 -8.523 -2.117 1.00 72.33 C ATOM 1438 OE1 GLN A 84 -14.003 -9.704 -2.222 1.00 52.13 O ATOM 1439 NE2 GLN A 84 -15.435 -8.154 -1.468 1.00 15.21 N ATOM 0 H GLN A 84 -10.589 -6.157 -1.468 1.00 2.21 H new ATOM 0 HA GLN A 84 -11.689 -8.902 -1.213 1.00 63.42 H new ATOM 0 HB2 GLN A 84 -11.553 -6.958 -3.572 1.00 11.40 H new ATOM 0 HB3 GLN A 84 -12.013 -8.643 -3.716 1.00 11.40 H new ATOM 0 HG2 GLN A 84 -13.526 -6.530 -2.117 1.00 5.34 H new ATOM 0 HG3 GLN A 84 -13.977 -7.119 -3.705 1.00 5.34 H new ATOM 0 HE21 GLN A 84 -15.679 -7.166 -1.398 1.00 15.21 H new ATOM 0 HE22 GLN A 84 -16.036 -8.860 -1.042 1.00 15.21 H new ATOM 1448 N LEU A 85 -9.765 -9.934 -2.553 1.00 73.01 N ATOM 1449 CA LEU A 85 -8.581 -10.627 -3.057 1.00 3.11 C ATOM 1450 C LEU A 85 -8.988 -11.497 -4.253 1.00 44.15 C ATOM 1451 O LEU A 85 -9.927 -12.287 -4.139 1.00 14.14 O ATOM 1452 CB LEU A 85 -7.940 -11.449 -1.915 1.00 74.15 C ATOM 1453 CG LEU A 85 -6.625 -12.187 -2.293 1.00 63.33 C ATOM 1454 CD1 LEU A 85 -5.455 -11.865 -1.346 1.00 45.24 C ATOM 1455 CD2 LEU A 85 -6.839 -13.709 -2.401 1.00 63.34 C ATOM 0 H LEU A 85 -10.584 -10.540 -2.499 1.00 73.01 H new ATOM 0 HA LEU A 85 -7.830 -9.917 -3.402 1.00 3.11 H new ATOM 0 HB2 LEU A 85 -7.736 -10.782 -1.078 1.00 74.15 H new ATOM 0 HB3 LEU A 85 -8.665 -12.185 -1.567 1.00 74.15 H new ATOM 0 HG LEU A 85 -6.345 -11.808 -3.276 1.00 63.33 H new ATOM 0 HD11 LEU A 85 -4.568 -12.412 -1.665 1.00 45.24 H new ATOM 0 HD12 LEU A 85 -5.250 -10.795 -1.371 1.00 45.24 H new ATOM 0 HD13 LEU A 85 -5.717 -12.160 -0.330 1.00 45.24 H new ATOM 0 HD21 LEU A 85 -5.898 -14.191 -2.667 1.00 63.34 H new ATOM 0 HD22 LEU A 85 -7.187 -14.096 -1.444 1.00 63.34 H new ATOM 0 HD23 LEU A 85 -7.583 -13.918 -3.169 1.00 63.34 H new ATOM 1467 N GLU A 86 -8.249 -11.349 -5.363 1.00 34.23 N ATOM 1468 CA GLU A 86 -8.392 -12.148 -6.580 1.00 41.11 C ATOM 1469 C GLU A 86 -7.499 -13.400 -6.537 1.00 1.21 C ATOM 1470 O GLU A 86 -6.650 -13.532 -5.654 1.00 11.02 O ATOM 1471 CB GLU A 86 -8.040 -11.274 -7.805 1.00 33.43 C ATOM 1472 CG GLU A 86 -8.964 -10.055 -7.980 1.00 24.04 C ATOM 1473 CD GLU A 86 -8.703 -9.328 -9.298 1.00 60.22 C ATOM 1474 OE1 GLU A 86 -7.558 -8.860 -9.479 1.00 65.14 O ATOM 1475 OE2 GLU A 86 -9.649 -9.258 -10.110 1.00 55.51 O1- ATOM 0 H GLU A 86 -7.513 -10.646 -5.436 1.00 34.23 H new ATOM 0 HA GLU A 86 -9.425 -12.488 -6.657 1.00 41.11 H new ATOM 0 HB2 GLU A 86 -7.011 -10.928 -7.710 1.00 33.43 H new ATOM 0 HB3 GLU A 86 -8.088 -11.888 -8.704 1.00 33.43 H new ATOM 0 HG2 GLU A 86 -10.004 -10.379 -7.944 1.00 24.04 H new ATOM 0 HG3 GLU A 86 -8.816 -9.365 -7.149 1.00 24.04 H new ATOM 1482 N GLY A 87 -7.688 -14.290 -7.526 1.00 21.24 N ATOM 1483 CA GLY A 87 -6.885 -15.501 -7.709 1.00 74.23 C ATOM 1484 C GLY A 87 -5.544 -15.234 -8.424 1.00 62.21 C ATOM 1485 O GLY A 87 -4.798 -16.186 -8.648 1.00 1.23 O ATOM 0 H GLY A 87 -8.417 -14.182 -8.231 1.00 21.24 H new ATOM 0 HA2 GLY A 87 -6.688 -15.950 -6.736 1.00 74.23 H new ATOM 0 HA3 GLY A 87 -7.459 -16.227 -8.285 1.00 74.23 H new ATOM 1489 N ASP A 88 -5.249 -13.973 -8.787 1.00 51.20 N ATOM 1490 CA ASP A 88 -4.095 -13.552 -9.589 1.00 31.33 C ATOM 1491 C ASP A 88 -3.121 -12.684 -8.772 1.00 53.45 C ATOM 1492 O ASP A 88 -2.566 -11.728 -9.315 1.00 63.51 O ATOM 1493 CB ASP A 88 -4.525 -12.848 -10.903 1.00 70.11 C ATOM 1494 CG ASP A 88 -5.517 -13.644 -11.755 1.00 60.23 C ATOM 1495 OD1 ASP A 88 -5.302 -14.867 -11.901 1.00 61.01 O ATOM 1496 OD2 ASP A 88 -6.429 -12.996 -12.314 1.00 44.22 O1- ATOM 0 H ASP A 88 -5.838 -13.186 -8.515 1.00 51.20 H new ATOM 0 HA ASP A 88 -3.561 -14.458 -9.875 1.00 31.33 H new ATOM 0 HB2 ASP A 88 -4.970 -11.884 -10.655 1.00 70.11 H new ATOM 0 HB3 ASP A 88 -3.635 -12.644 -11.499 1.00 70.11 H new ATOM 1501 N ASN A 89 -2.898 -13.051 -7.493 1.00 44.15 N ATOM 1502 CA ASN A 89 -1.981 -12.409 -6.528 1.00 32.45 C ATOM 1503 C ASN A 89 -2.160 -10.878 -6.408 1.00 53.43 C ATOM 1504 O ASN A 89 -1.178 -10.137 -6.391 1.00 3.32 O ATOM 1505 CB ASN A 89 -0.497 -12.901 -6.641 1.00 21.54 C ATOM 1506 CG ASN A 89 -0.022 -13.427 -8.002 1.00 25.31 C ATOM 1507 OD1 ASN A 89 -0.151 -14.615 -8.290 1.00 53.32 O ATOM 1508 ND2 ASN A 89 0.529 -12.552 -8.844 1.00 2.41 N ATOM 0 H ASN A 89 -3.381 -13.850 -7.082 1.00 44.15 H new ATOM 0 HA ASN A 89 -2.299 -12.774 -5.551 1.00 32.45 H new ATOM 0 HB2 ASN A 89 0.153 -12.074 -6.355 1.00 21.54 H new ATOM 0 HB3 ASN A 89 -0.349 -13.692 -5.905 1.00 21.54 H new ATOM 0 HD21 ASN A 89 0.858 -12.862 -9.758 1.00 2.41 H new ATOM 0 HD22 ASN A 89 0.621 -11.573 -8.574 1.00 2.41 H new ATOM 1515 N LYS A 90 -3.433 -10.445 -6.343 1.00 32.00 N ATOM 1516 CA LYS A 90 -3.857 -9.046 -6.301 1.00 75.42 C ATOM 1517 C LYS A 90 -4.893 -8.824 -5.188 1.00 54.10 C ATOM 1518 O LYS A 90 -5.728 -9.696 -4.947 1.00 42.13 O ATOM 1519 CB LYS A 90 -4.456 -8.652 -7.671 1.00 23.24 C ATOM 1520 CG LYS A 90 -3.422 -8.515 -8.807 1.00 64.21 C ATOM 1521 CD LYS A 90 -4.027 -8.749 -10.200 1.00 11.12 C ATOM 1522 CE LYS A 90 -4.914 -7.599 -10.696 1.00 74.24 C ATOM 1523 NZ LYS A 90 -5.823 -8.057 -11.761 1.00 4.04 N1+ ATOM 0 H LYS A 90 -4.221 -11.092 -6.318 1.00 32.00 H new ATOM 0 HA LYS A 90 -2.991 -8.420 -6.087 1.00 75.42 H new ATOM 0 HB2 LYS A 90 -5.195 -9.400 -7.958 1.00 23.24 H new ATOM 0 HB3 LYS A 90 -4.985 -7.705 -7.563 1.00 23.24 H new ATOM 0 HG2 LYS A 90 -2.981 -7.519 -8.771 1.00 64.21 H new ATOM 0 HG3 LYS A 90 -2.614 -9.228 -8.643 1.00 64.21 H new ATOM 0 HD2 LYS A 90 -3.219 -8.905 -10.914 1.00 11.12 H new ATOM 0 HD3 LYS A 90 -4.616 -9.666 -10.180 1.00 11.12 H new ATOM 0 HE2 LYS A 90 -5.494 -7.198 -9.865 1.00 74.24 H new ATOM 0 HE3 LYS A 90 -4.289 -6.788 -11.070 1.00 74.24 H new ATOM 0 HZ1 LYS A 90 -6.092 -7.250 -12.359 1.00 4.04 H new ATOM 0 HZ2 LYS A 90 -5.343 -8.773 -12.343 1.00 4.04 H new ATOM 0 HZ3 LYS A 90 -6.676 -8.472 -11.335 1.00 4.04 H new ATOM 1537 N LEU A 91 -4.840 -7.629 -4.579 1.00 63.34 N ATOM 1538 CA LEU A 91 -5.836 -7.092 -3.642 1.00 44.30 C ATOM 1539 C LEU A 91 -6.509 -5.873 -4.287 1.00 43.45 C ATOM 1540 O LEU A 91 -5.879 -5.205 -5.107 1.00 4.52 O ATOM 1541 CB LEU A 91 -5.138 -6.642 -2.340 1.00 2.44 C ATOM 1542 CG LEU A 91 -4.572 -7.789 -1.480 1.00 15.32 C ATOM 1543 CD1 LEU A 91 -3.465 -7.291 -0.536 1.00 0.34 C ATOM 1544 CD2 LEU A 91 -5.695 -8.482 -0.695 1.00 64.04 C ATOM 0 H LEU A 91 -4.066 -6.983 -4.734 1.00 63.34 H new ATOM 0 HA LEU A 91 -6.574 -7.861 -3.413 1.00 44.30 H new ATOM 0 HB2 LEU A 91 -4.324 -5.963 -2.596 1.00 2.44 H new ATOM 0 HB3 LEU A 91 -5.850 -6.074 -1.740 1.00 2.44 H new ATOM 0 HG LEU A 91 -4.123 -8.520 -2.152 1.00 15.32 H new ATOM 0 HD11 LEU A 91 -3.088 -8.126 0.055 1.00 0.34 H new ATOM 0 HD12 LEU A 91 -2.651 -6.865 -1.123 1.00 0.34 H new ATOM 0 HD13 LEU A 91 -3.870 -6.528 0.129 1.00 0.34 H new ATOM 0 HD21 LEU A 91 -5.275 -9.289 -0.094 1.00 64.04 H new ATOM 0 HD22 LEU A 91 -6.182 -7.758 -0.041 1.00 64.04 H new ATOM 0 HD23 LEU A 91 -6.427 -8.892 -1.392 1.00 64.04 H new ATOM 1556 N VAL A 92 -7.762 -5.591 -3.890 1.00 1.53 N ATOM 1557 CA VAL A 92 -8.546 -4.450 -4.375 1.00 34.04 C ATOM 1558 C VAL A 92 -9.430 -3.903 -3.230 1.00 1.21 C ATOM 1559 O VAL A 92 -10.023 -4.697 -2.502 1.00 60.13 O ATOM 1560 CB VAL A 92 -9.476 -4.841 -5.570 1.00 62.55 C ATOM 1561 CG1 VAL A 92 -10.313 -3.660 -6.108 1.00 20.11 C ATOM 1562 CG2 VAL A 92 -8.711 -5.484 -6.744 1.00 51.23 C ATOM 0 H VAL A 92 -8.264 -6.162 -3.210 1.00 1.53 H new ATOM 0 HA VAL A 92 -7.839 -3.695 -4.719 1.00 34.04 H new ATOM 0 HB VAL A 92 -10.154 -5.580 -5.143 1.00 62.55 H new ATOM 0 HG11 VAL A 92 -10.935 -4.002 -6.935 1.00 20.11 H new ATOM 0 HG12 VAL A 92 -10.949 -3.272 -5.312 1.00 20.11 H new ATOM 0 HG13 VAL A 92 -9.647 -2.871 -6.457 1.00 20.11 H new ATOM 0 HG21 VAL A 92 -9.411 -5.733 -7.542 1.00 51.23 H new ATOM 0 HG22 VAL A 92 -7.966 -4.783 -7.120 1.00 51.23 H new ATOM 0 HG23 VAL A 92 -8.214 -6.392 -6.401 1.00 51.23 H new ATOM 1572 N THR A 93 -9.539 -2.566 -3.117 1.00 62.12 N ATOM 1573 CA THR A 93 -10.400 -1.869 -2.149 1.00 15.25 C ATOM 1574 C THR A 93 -10.594 -0.385 -2.549 1.00 24.45 C ATOM 1575 O THR A 93 -9.933 0.080 -3.476 1.00 31.45 O ATOM 1576 CB THR A 93 -9.849 -1.984 -0.692 1.00 54.24 C ATOM 1577 OG1 THR A 93 -10.733 -1.436 0.270 1.00 74.54 O ATOM 1578 CG2 THR A 93 -8.479 -1.327 -0.464 1.00 53.44 C ATOM 0 H THR A 93 -9.016 -1.925 -3.714 1.00 62.12 H new ATOM 0 HA THR A 93 -11.373 -2.360 -2.169 1.00 15.25 H new ATOM 0 HB THR A 93 -9.746 -3.062 -0.564 1.00 54.24 H new ATOM 0 HG1 THR A 93 -10.239 -1.239 1.093 1.00 74.54 H new ATOM 0 HG21 THR A 93 -8.181 -1.459 0.576 1.00 53.44 H new ATOM 0 HG22 THR A 93 -7.739 -1.792 -1.116 1.00 53.44 H new ATOM 0 HG23 THR A 93 -8.544 -0.263 -0.691 1.00 53.44 H new ATOM 1586 N THR A 94 -11.501 0.326 -1.853 1.00 1.14 N ATOM 1587 CA THR A 94 -11.706 1.774 -1.966 1.00 54.14 C ATOM 1588 C THR A 94 -11.998 2.374 -0.576 1.00 52.11 C ATOM 1589 O THR A 94 -12.726 1.762 0.202 1.00 1.32 O ATOM 1590 CB THR A 94 -12.894 2.132 -2.902 1.00 44.02 C ATOM 1591 OG1 THR A 94 -12.727 1.503 -4.154 1.00 73.45 O ATOM 1592 CG2 THR A 94 -13.064 3.640 -3.177 1.00 1.00 C ATOM 0 H THR A 94 -12.128 -0.109 -1.177 1.00 1.14 H new ATOM 0 HA THR A 94 -10.791 2.188 -2.389 1.00 54.14 H new ATOM 0 HB THR A 94 -13.780 1.786 -2.370 1.00 44.02 H new ATOM 0 HG1 THR A 94 -13.480 1.732 -4.738 1.00 73.45 H new ATOM 0 HG21 THR A 94 -13.916 3.795 -3.839 1.00 1.00 H new ATOM 0 HG22 THR A 94 -13.234 4.164 -2.237 1.00 1.00 H new ATOM 0 HG23 THR A 94 -12.162 4.028 -3.650 1.00 1.00 H new ATOM 1600 N PHE A 95 -11.434 3.559 -0.295 1.00 44.12 N ATOM 1601 CA PHE A 95 -11.543 4.262 0.987 1.00 32.54 C ATOM 1602 C PHE A 95 -11.331 5.768 0.772 1.00 11.00 C ATOM 1603 O PHE A 95 -10.312 6.146 0.207 1.00 2.23 O ATOM 1604 CB PHE A 95 -10.549 3.659 2.013 1.00 13.41 C ATOM 1605 CG PHE A 95 -9.083 3.615 1.603 1.00 33.31 C ATOM 1606 CD1 PHE A 95 -8.600 2.534 0.839 1.00 3.42 C ATOM 1607 CD2 PHE A 95 -8.230 4.715 1.845 1.00 22.23 C ATOM 1608 CE1 PHE A 95 -7.288 2.533 0.390 1.00 43.40 C ATOM 1609 CE2 PHE A 95 -6.927 4.705 1.364 1.00 44.41 C ATOM 1610 CZ PHE A 95 -6.457 3.616 0.642 1.00 64.14 C ATOM 0 H PHE A 95 -10.872 4.068 -0.977 1.00 44.12 H new ATOM 0 HA PHE A 95 -12.543 4.131 1.400 1.00 32.54 H new ATOM 0 HB2 PHE A 95 -10.626 4.231 2.938 1.00 13.41 H new ATOM 0 HB3 PHE A 95 -10.869 2.642 2.239 1.00 13.41 H new ATOM 0 HD1 PHE A 95 -9.252 1.706 0.603 1.00 3.42 H new ATOM 0 HD2 PHE A 95 -8.592 5.565 2.405 1.00 22.23 H new ATOM 0 HE1 PHE A 95 -6.910 1.684 -0.160 1.00 43.40 H new ATOM 0 HE2 PHE A 95 -6.277 5.547 1.552 1.00 44.41 H new ATOM 0 HZ PHE A 95 -5.441 3.612 0.275 1.00 64.14 H new ATOM 1620 N LYS A 96 -12.282 6.612 1.210 1.00 41.51 N ATOM 1621 CA LYS A 96 -12.256 8.083 1.070 1.00 2.14 C ATOM 1622 C LYS A 96 -12.109 8.575 -0.393 1.00 73.30 C ATOM 1623 O LYS A 96 -11.409 9.558 -0.639 1.00 44.31 O ATOM 1624 CB LYS A 96 -11.183 8.719 1.999 1.00 54.30 C ATOM 1625 CG LYS A 96 -11.390 8.451 3.502 1.00 52.21 C ATOM 1626 CD LYS A 96 -11.320 9.716 4.379 1.00 65.24 C ATOM 1627 CE LYS A 96 -9.964 10.441 4.361 1.00 44.02 C ATOM 1628 NZ LYS A 96 -10.034 11.706 5.110 1.00 40.12 N1+ ATOM 0 H LYS A 96 -13.120 6.280 1.688 1.00 41.51 H new ATOM 0 HA LYS A 96 -13.239 8.428 1.392 1.00 2.14 H new ATOM 0 HB2 LYS A 96 -10.202 8.343 1.709 1.00 54.30 H new ATOM 0 HB3 LYS A 96 -11.172 9.796 1.834 1.00 54.30 H new ATOM 0 HG2 LYS A 96 -12.360 7.975 3.646 1.00 52.21 H new ATOM 0 HG3 LYS A 96 -10.634 7.743 3.842 1.00 52.21 H new ATOM 0 HD2 LYS A 96 -12.092 10.412 4.050 1.00 65.24 H new ATOM 0 HD3 LYS A 96 -11.555 9.441 5.407 1.00 65.24 H new ATOM 0 HE2 LYS A 96 -9.198 9.799 4.795 1.00 44.02 H new ATOM 0 HE3 LYS A 96 -9.667 10.640 3.331 1.00 44.02 H new ATOM 0 HZ1 LYS A 96 -9.873 12.503 4.461 1.00 40.12 H new ATOM 0 HZ2 LYS A 96 -10.973 11.799 5.547 1.00 40.12 H new ATOM 0 HZ3 LYS A 96 -9.305 11.711 5.852 1.00 40.12 H new ATOM 1642 N ASN A 97 -12.728 7.850 -1.345 1.00 34.43 N ATOM 1643 CA ASN A 97 -12.603 8.013 -2.805 1.00 42.31 C ATOM 1644 C ASN A 97 -11.229 7.581 -3.377 1.00 20.05 C ATOM 1645 O ASN A 97 -11.042 7.653 -4.590 1.00 24.34 O ATOM 1646 CB ASN A 97 -12.979 9.458 -3.249 1.00 63.24 C ATOM 1647 CG ASN A 97 -13.518 9.589 -4.682 1.00 72.01 C ATOM 1648 OD1 ASN A 97 -14.058 8.646 -5.255 1.00 41.54 O ATOM 1649 ND2 ASN A 97 -13.380 10.782 -5.265 1.00 21.54 N ATOM 0 H ASN A 97 -13.365 7.092 -1.101 1.00 34.43 H new ATOM 0 HA ASN A 97 -13.325 7.320 -3.238 1.00 42.31 H new ATOM 0 HB2 ASN A 97 -13.728 9.848 -2.560 1.00 63.24 H new ATOM 0 HB3 ASN A 97 -12.097 10.091 -3.152 1.00 63.24 H new ATOM 0 HD21 ASN A 97 -13.728 10.930 -6.212 1.00 21.54 H new ATOM 0 HD22 ASN A 97 -12.927 11.546 -4.763 1.00 21.54 H new ATOM 1656 N ILE A 98 -10.307 7.107 -2.520 1.00 51.10 N ATOM 1657 CA ILE A 98 -9.016 6.545 -2.907 1.00 11.54 C ATOM 1658 C ILE A 98 -9.223 5.039 -3.144 1.00 44.12 C ATOM 1659 O ILE A 98 -9.274 4.261 -2.191 1.00 21.33 O ATOM 1660 CB ILE A 98 -7.910 6.724 -1.815 1.00 12.20 C ATOM 1661 CG1 ILE A 98 -7.751 8.190 -1.351 1.00 4.40 C ATOM 1662 CG2 ILE A 98 -6.544 6.158 -2.254 1.00 73.41 C ATOM 1663 CD1 ILE A 98 -7.173 8.324 0.067 1.00 25.24 C ATOM 0 H ILE A 98 -10.451 7.108 -1.510 1.00 51.10 H new ATOM 0 HA ILE A 98 -8.673 7.073 -3.797 1.00 11.54 H new ATOM 0 HB ILE A 98 -8.261 6.141 -0.963 1.00 12.20 H new ATOM 0 HG12 ILE A 98 -7.102 8.716 -2.051 1.00 4.40 H new ATOM 0 HG13 ILE A 98 -8.723 8.682 -1.387 1.00 4.40 H new ATOM 0 HG21 ILE A 98 -5.815 6.309 -1.458 1.00 73.41 H new ATOM 0 HG22 ILE A 98 -6.641 5.092 -2.459 1.00 73.41 H new ATOM 0 HG23 ILE A 98 -6.210 6.672 -3.155 1.00 73.41 H new ATOM 0 HD11 ILE A 98 -7.089 9.379 0.327 1.00 25.24 H new ATOM 0 HD12 ILE A 98 -7.833 7.827 0.778 1.00 25.24 H new ATOM 0 HD13 ILE A 98 -6.187 7.861 0.103 1.00 25.24 H new ATOM 1675 N LYS A 99 -9.320 4.660 -4.425 1.00 23.23 N ATOM 1676 CA LYS A 99 -9.194 3.283 -4.897 1.00 5.21 C ATOM 1677 C LYS A 99 -7.757 2.799 -4.630 1.00 52.23 C ATOM 1678 O LYS A 99 -6.832 3.606 -4.712 1.00 5.11 O ATOM 1679 CB LYS A 99 -9.496 3.269 -6.410 1.00 24.03 C ATOM 1680 CG LYS A 99 -9.729 1.876 -7.034 1.00 41.04 C ATOM 1681 CD LYS A 99 -11.214 1.527 -7.261 1.00 15.11 C ATOM 1682 CE LYS A 99 -11.776 1.960 -8.628 1.00 4.42 C ATOM 1683 NZ LYS A 99 -11.795 3.423 -8.798 1.00 61.23 N1+ ATOM 0 H LYS A 99 -9.493 5.325 -5.179 1.00 23.23 H new ATOM 0 HA LYS A 99 -9.890 2.622 -4.380 1.00 5.21 H new ATOM 0 HB2 LYS A 99 -10.380 3.880 -6.591 1.00 24.03 H new ATOM 0 HB3 LYS A 99 -8.666 3.746 -6.932 1.00 24.03 H new ATOM 0 HG2 LYS A 99 -9.205 1.825 -7.989 1.00 41.04 H new ATOM 0 HG3 LYS A 99 -9.284 1.121 -6.386 1.00 41.04 H new ATOM 0 HD2 LYS A 99 -11.340 0.449 -7.157 1.00 15.11 H new ATOM 0 HD3 LYS A 99 -11.807 1.995 -6.475 1.00 15.11 H new ATOM 0 HE2 LYS A 99 -11.175 1.514 -9.421 1.00 4.42 H new ATOM 0 HE3 LYS A 99 -12.789 1.572 -8.739 1.00 4.42 H new ATOM 0 HZ1 LYS A 99 -12.182 3.659 -9.734 1.00 61.23 H new ATOM 0 HZ2 LYS A 99 -12.390 3.851 -8.060 1.00 61.23 H new ATOM 0 HZ3 LYS A 99 -10.827 3.794 -8.720 1.00 61.23 H new ATOM 1697 N SER A 100 -7.596 1.507 -4.333 1.00 12.14 N ATOM 1698 CA SER A 100 -6.302 0.874 -4.107 1.00 4.03 C ATOM 1699 C SER A 100 -6.280 -0.486 -4.797 1.00 14.30 C ATOM 1700 O SER A 100 -7.276 -1.210 -4.756 1.00 34.33 O ATOM 1701 CB SER A 100 -6.059 0.751 -2.594 1.00 31.31 C ATOM 1702 OG SER A 100 -4.826 0.129 -2.285 1.00 30.12 O ATOM 0 H SER A 100 -8.381 0.862 -4.242 1.00 12.14 H new ATOM 0 HA SER A 100 -5.499 1.478 -4.530 1.00 4.03 H new ATOM 0 HB2 SER A 100 -6.082 1.744 -2.145 1.00 31.31 H new ATOM 0 HB3 SER A 100 -6.871 0.179 -2.146 1.00 31.31 H new ATOM 0 HG SER A 100 -4.122 0.809 -2.226 1.00 30.12 H new ATOM 1708 N VAL A 101 -5.122 -0.806 -5.385 1.00 15.43 N ATOM 1709 CA VAL A 101 -4.803 -2.110 -5.941 1.00 41.42 C ATOM 1710 C VAL A 101 -3.353 -2.436 -5.547 1.00 73.31 C ATOM 1711 O VAL A 101 -2.442 -1.715 -5.953 1.00 50.41 O ATOM 1712 CB VAL A 101 -4.934 -2.155 -7.494 1.00 74.23 C ATOM 1713 CG1 VAL A 101 -4.487 -3.498 -8.114 1.00 15.41 C ATOM 1714 CG2 VAL A 101 -6.367 -1.834 -7.957 1.00 33.25 C ATOM 0 H VAL A 101 -4.360 -0.136 -5.486 1.00 15.43 H new ATOM 0 HA VAL A 101 -5.512 -2.838 -5.545 1.00 41.42 H new ATOM 0 HB VAL A 101 -4.253 -1.383 -7.853 1.00 74.23 H new ATOM 0 HG11 VAL A 101 -4.606 -3.456 -9.197 1.00 15.41 H new ATOM 0 HG12 VAL A 101 -3.440 -3.681 -7.871 1.00 15.41 H new ATOM 0 HG13 VAL A 101 -5.099 -4.306 -7.713 1.00 15.41 H new ATOM 0 HG21 VAL A 101 -6.416 -1.876 -9.045 1.00 33.25 H new ATOM 0 HG22 VAL A 101 -7.058 -2.564 -7.534 1.00 33.25 H new ATOM 0 HG23 VAL A 101 -6.643 -0.835 -7.620 1.00 33.25 H new ATOM 1724 N THR A 102 -3.171 -3.529 -4.792 1.00 24.33 N ATOM 1725 CA THR A 102 -1.853 -4.115 -4.527 1.00 33.12 C ATOM 1726 C THR A 102 -1.651 -5.315 -5.467 1.00 23.12 C ATOM 1727 O THR A 102 -2.630 -5.989 -5.786 1.00 43.43 O ATOM 1728 CB THR A 102 -1.707 -4.638 -3.071 1.00 41.33 C ATOM 1729 OG1 THR A 102 -2.180 -3.670 -2.156 1.00 45.21 O ATOM 1730 CG2 THR A 102 -0.260 -4.980 -2.668 1.00 31.04 C ATOM 0 H THR A 102 -3.939 -4.032 -4.347 1.00 24.33 H new ATOM 0 HA THR A 102 -1.115 -3.329 -4.686 1.00 33.12 H new ATOM 0 HB THR A 102 -2.294 -5.556 -3.039 1.00 41.33 H new ATOM 0 HG1 THR A 102 -2.085 -4.010 -1.242 1.00 45.21 H new ATOM 0 HG21 THR A 102 -0.244 -5.338 -1.638 1.00 31.04 H new ATOM 0 HG22 THR A 102 0.128 -5.756 -3.328 1.00 31.04 H new ATOM 0 HG23 THR A 102 0.362 -4.089 -2.752 1.00 31.04 H new ATOM 1738 N GLU A 103 -0.402 -5.573 -5.879 1.00 42.30 N ATOM 1739 CA GLU A 103 -0.046 -6.725 -6.698 1.00 44.25 C ATOM 1740 C GLU A 103 1.328 -7.261 -6.287 1.00 51.33 C ATOM 1741 O GLU A 103 2.329 -6.563 -6.442 1.00 41.11 O ATOM 1742 CB GLU A 103 -0.150 -6.370 -8.198 1.00 1.24 C ATOM 1743 CG GLU A 103 0.243 -7.532 -9.136 1.00 23.53 C ATOM 1744 CD GLU A 103 0.058 -7.219 -10.621 1.00 32.14 C ATOM 1745 OE1 GLU A 103 0.876 -7.741 -11.410 1.00 13.35 O ATOM 1746 OE2 GLU A 103 -0.902 -6.489 -10.953 1.00 63.03 O1- ATOM 0 H GLU A 103 0.393 -4.978 -5.647 1.00 42.30 H new ATOM 0 HA GLU A 103 -0.755 -7.536 -6.528 1.00 44.25 H new ATOM 0 HB2 GLU A 103 -1.172 -6.064 -8.421 1.00 1.24 H new ATOM 0 HB3 GLU A 103 0.491 -5.513 -8.406 1.00 1.24 H new ATOM 0 HG2 GLU A 103 1.286 -7.794 -8.957 1.00 23.53 H new ATOM 0 HG3 GLU A 103 -0.353 -8.408 -8.882 1.00 23.53 H new ATOM 1753 N LEU A 104 1.335 -8.517 -5.818 1.00 12.24 N ATOM 1754 CA LEU A 104 2.522 -9.321 -5.554 1.00 3.33 C ATOM 1755 C LEU A 104 3.022 -9.947 -6.866 1.00 4.31 C ATOM 1756 O LEU A 104 2.235 -10.583 -7.564 1.00 24.51 O ATOM 1757 CB LEU A 104 2.136 -10.372 -4.484 1.00 50.23 C ATOM 1758 CG LEU A 104 3.113 -11.545 -4.244 1.00 42.43 C ATOM 1759 CD1 LEU A 104 4.378 -11.091 -3.504 1.00 52.40 C ATOM 1760 CD2 LEU A 104 2.415 -12.680 -3.479 1.00 40.33 C ATOM 0 H LEU A 104 0.471 -9.016 -5.605 1.00 12.24 H new ATOM 0 HA LEU A 104 3.348 -8.723 -5.169 1.00 3.33 H new ATOM 0 HB2 LEU A 104 1.998 -9.851 -3.537 1.00 50.23 H new ATOM 0 HB3 LEU A 104 1.169 -10.792 -4.760 1.00 50.23 H new ATOM 0 HG LEU A 104 3.423 -11.919 -5.220 1.00 42.43 H new ATOM 0 HD11 LEU A 104 5.039 -11.945 -3.355 1.00 52.40 H new ATOM 0 HD12 LEU A 104 4.893 -10.333 -4.094 1.00 52.40 H new ATOM 0 HD13 LEU A 104 4.103 -10.672 -2.536 1.00 52.40 H new ATOM 0 HD21 LEU A 104 3.118 -13.497 -3.319 1.00 40.33 H new ATOM 0 HD22 LEU A 104 2.065 -12.308 -2.516 1.00 40.33 H new ATOM 0 HD23 LEU A 104 1.565 -13.041 -4.059 1.00 40.33 H new ATOM 1772 N ASN A 105 4.322 -9.779 -7.153 1.00 14.25 N ATOM 1773 CA ASN A 105 5.049 -10.381 -8.274 1.00 22.34 C ATOM 1774 C ASN A 105 6.345 -10.974 -7.700 1.00 31.52 C ATOM 1775 O ASN A 105 7.420 -10.410 -7.911 1.00 42.33 O ATOM 1776 CB ASN A 105 5.349 -9.303 -9.357 1.00 62.45 C ATOM 1777 CG ASN A 105 4.224 -8.897 -10.317 1.00 34.21 C ATOM 1778 OD1 ASN A 105 4.463 -8.078 -11.201 1.00 21.24 O ATOM 1779 ND2 ASN A 105 3.014 -9.442 -10.190 1.00 62.21 N ATOM 0 H ASN A 105 4.923 -9.189 -6.578 1.00 14.25 H new ATOM 0 HA ASN A 105 4.461 -11.162 -8.756 1.00 22.34 H new ATOM 0 HB2 ASN A 105 5.688 -8.403 -8.844 1.00 62.45 H new ATOM 0 HB3 ASN A 105 6.185 -9.661 -9.958 1.00 62.45 H new ATOM 0 HD21 ASN A 105 2.267 -9.181 -10.833 1.00 62.21 H new ATOM 0 HD22 ASN A 105 2.835 -10.120 -9.449 1.00 62.21 H new ATOM 1786 N GLY A 106 6.229 -12.098 -6.971 1.00 23.14 N ATOM 1787 CA GLY A 106 7.362 -12.806 -6.366 1.00 31.34 C ATOM 1788 C GLY A 106 7.994 -11.944 -5.266 1.00 2.33 C ATOM 1789 O GLY A 106 7.380 -11.714 -4.227 1.00 44.23 O ATOM 0 H GLY A 106 5.330 -12.544 -6.785 1.00 23.14 H new ATOM 0 HA2 GLY A 106 7.027 -13.755 -5.948 1.00 31.34 H new ATOM 0 HA3 GLY A 106 8.105 -13.039 -7.129 1.00 31.34 H new ATOM 1793 N ASP A 107 9.230 -11.477 -5.504 1.00 52.25 N ATOM 1794 CA ASP A 107 9.988 -10.585 -4.619 1.00 15.31 C ATOM 1795 C ASP A 107 9.589 -9.096 -4.728 1.00 53.11 C ATOM 1796 O ASP A 107 10.161 -8.291 -3.997 1.00 64.54 O ATOM 1797 CB ASP A 107 11.523 -10.738 -4.776 1.00 73.33 C ATOM 1798 CG ASP A 107 12.032 -12.183 -4.802 1.00 71.23 C ATOM 1799 OD1 ASP A 107 11.825 -12.845 -5.843 1.00 43.31 O ATOM 1800 OD2 ASP A 107 12.659 -12.581 -3.797 1.00 42.41 O1- ATOM 0 H ASP A 107 9.746 -11.721 -6.350 1.00 52.25 H new ATOM 0 HA ASP A 107 9.710 -10.917 -3.619 1.00 15.31 H new ATOM 0 HB2 ASP A 107 11.829 -10.244 -5.698 1.00 73.33 H new ATOM 0 HB3 ASP A 107 12.011 -10.212 -3.956 1.00 73.33 H new ATOM 1805 N ILE A 108 8.652 -8.737 -5.621 1.00 11.24 N ATOM 1806 CA ILE A 108 8.184 -7.365 -5.846 1.00 74.42 C ATOM 1807 C ILE A 108 6.748 -7.214 -5.301 1.00 20.20 C ATOM 1808 O ILE A 108 5.953 -8.145 -5.419 1.00 10.32 O ATOM 1809 CB ILE A 108 8.204 -7.002 -7.374 1.00 32.54 C ATOM 1810 CG1 ILE A 108 9.643 -6.924 -7.943 1.00 52.31 C ATOM 1811 CG2 ILE A 108 7.476 -5.681 -7.731 1.00 72.23 C ATOM 1812 CD1 ILE A 108 10.353 -8.275 -8.135 1.00 15.22 C ATOM 0 H ILE A 108 8.187 -9.416 -6.223 1.00 11.24 H new ATOM 0 HA ILE A 108 8.856 -6.685 -5.323 1.00 74.42 H new ATOM 0 HB ILE A 108 7.657 -7.825 -7.834 1.00 32.54 H new ATOM 0 HG12 ILE A 108 9.608 -6.412 -8.905 1.00 52.31 H new ATOM 0 HG13 ILE A 108 10.246 -6.308 -7.276 1.00 52.31 H new ATOM 0 HG21 ILE A 108 7.540 -5.509 -8.806 1.00 72.23 H new ATOM 0 HG22 ILE A 108 6.429 -5.751 -7.436 1.00 72.23 H new ATOM 0 HG23 ILE A 108 7.947 -4.852 -7.203 1.00 72.23 H new ATOM 0 HD11 ILE A 108 11.352 -8.107 -8.537 1.00 15.22 H new ATOM 0 HD12 ILE A 108 10.429 -8.786 -7.175 1.00 15.22 H new ATOM 0 HD13 ILE A 108 9.781 -8.891 -8.829 1.00 15.22 H new ATOM 1824 N ILE A 109 6.437 -6.024 -4.759 1.00 41.02 N ATOM 1825 CA ILE A 109 5.083 -5.584 -4.419 1.00 74.12 C ATOM 1826 C ILE A 109 4.855 -4.217 -5.091 1.00 72.34 C ATOM 1827 O ILE A 109 5.534 -3.255 -4.741 1.00 74.32 O ATOM 1828 CB ILE A 109 4.875 -5.391 -2.882 1.00 0.14 C ATOM 1829 CG1 ILE A 109 5.124 -6.666 -2.049 1.00 55.55 C ATOM 1830 CG2 ILE A 109 3.515 -4.758 -2.509 1.00 35.50 C ATOM 1831 CD1 ILE A 109 4.054 -7.758 -2.157 1.00 62.41 C ATOM 0 H ILE A 109 7.146 -5.324 -4.541 1.00 41.02 H new ATOM 0 HA ILE A 109 4.388 -6.351 -4.759 1.00 74.12 H new ATOM 0 HB ILE A 109 5.651 -4.675 -2.614 1.00 0.14 H new ATOM 0 HG12 ILE A 109 6.081 -7.092 -2.350 1.00 55.55 H new ATOM 0 HG13 ILE A 109 5.218 -6.379 -1.002 1.00 55.55 H new ATOM 0 HG21 ILE A 109 3.446 -4.657 -1.426 1.00 35.50 H new ATOM 0 HG22 ILE A 109 3.432 -3.774 -2.972 1.00 35.50 H new ATOM 0 HG23 ILE A 109 2.707 -5.396 -2.866 1.00 35.50 H new ATOM 0 HD11 ILE A 109 4.334 -8.605 -1.530 1.00 62.41 H new ATOM 0 HD12 ILE A 109 3.095 -7.362 -1.824 1.00 62.41 H new ATOM 0 HD13 ILE A 109 3.971 -8.085 -3.193 1.00 62.41 H new ATOM 1843 N THR A 110 3.873 -4.138 -6.001 1.00 52.21 N ATOM 1844 CA THR A 110 3.359 -2.870 -6.526 1.00 55.31 C ATOM 1845 C THR A 110 2.133 -2.446 -5.690 1.00 60.14 C ATOM 1846 O THR A 110 1.342 -3.307 -5.314 1.00 33.00 O ATOM 1847 CB THR A 110 2.926 -3.023 -8.011 1.00 23.34 C ATOM 1848 OG1 THR A 110 4.071 -3.328 -8.781 1.00 43.22 O ATOM 1849 CG2 THR A 110 2.266 -1.782 -8.646 1.00 74.24 C ATOM 0 H THR A 110 3.412 -4.959 -6.394 1.00 52.21 H new ATOM 0 HA THR A 110 4.147 -2.119 -6.466 1.00 55.31 H new ATOM 0 HB THR A 110 2.170 -3.809 -8.010 1.00 23.34 H new ATOM 0 HG1 THR A 110 3.815 -3.430 -9.722 1.00 43.22 H new ATOM 0 HG21 THR A 110 2.004 -1.999 -9.682 1.00 74.24 H new ATOM 0 HG22 THR A 110 1.364 -1.525 -8.090 1.00 74.24 H new ATOM 0 HG23 THR A 110 2.962 -0.944 -8.616 1.00 74.24 H new ATOM 1857 N ASN A 111 2.000 -1.135 -5.429 1.00 41.41 N ATOM 1858 CA ASN A 111 0.858 -0.503 -4.759 1.00 23.41 C ATOM 1859 C ASN A 111 0.439 0.709 -5.592 1.00 62.20 C ATOM 1860 O ASN A 111 1.072 1.757 -5.500 1.00 20.43 O ATOM 1861 CB ASN A 111 1.247 -0.085 -3.318 1.00 72.21 C ATOM 1862 CG ASN A 111 1.037 -1.193 -2.287 1.00 71.22 C ATOM 1863 OD1 ASN A 111 1.982 -1.858 -1.876 1.00 2.22 O ATOM 1864 ND2 ASN A 111 -0.210 -1.373 -1.852 1.00 23.45 N ATOM 0 H ASN A 111 2.718 -0.460 -5.692 1.00 41.41 H new ATOM 0 HA ASN A 111 0.024 -1.200 -4.680 1.00 23.41 H new ATOM 0 HB2 ASN A 111 2.294 0.219 -3.306 1.00 72.21 H new ATOM 0 HB3 ASN A 111 0.659 0.786 -3.029 1.00 72.21 H new ATOM 0 HD21 ASN A 111 -0.407 -2.086 -1.150 1.00 23.45 H new ATOM 0 HD22 ASN A 111 -0.967 -0.797 -2.221 1.00 23.45 H new ATOM 1871 N THR A 112 -0.638 0.542 -6.368 1.00 33.00 N ATOM 1872 CA THR A 112 -1.260 1.593 -7.172 1.00 72.14 C ATOM 1873 C THR A 112 -2.507 2.132 -6.448 1.00 63.23 C ATOM 1874 O THR A 112 -3.230 1.353 -5.832 1.00 44.44 O ATOM 1875 CB THR A 112 -1.687 1.032 -8.555 1.00 60.33 C ATOM 1876 OG1 THR A 112 -0.539 0.526 -9.207 1.00 13.12 O ATOM 1877 CG2 THR A 112 -2.345 2.042 -9.516 1.00 12.21 C ATOM 0 H THR A 112 -1.113 -0.357 -6.454 1.00 33.00 H new ATOM 0 HA THR A 112 -0.535 2.395 -7.314 1.00 72.14 H new ATOM 0 HB THR A 112 -2.443 0.278 -8.333 1.00 60.33 H new ATOM 0 HG1 THR A 112 -0.792 0.166 -10.083 1.00 13.12 H new ATOM 0 HG21 THR A 112 -2.602 1.542 -10.450 1.00 12.21 H new ATOM 0 HG22 THR A 112 -3.249 2.443 -9.059 1.00 12.21 H new ATOM 0 HG23 THR A 112 -1.650 2.856 -9.720 1.00 12.21 H new ATOM 1885 N MET A 113 -2.735 3.452 -6.545 1.00 11.55 N ATOM 1886 CA MET A 113 -3.920 4.138 -6.027 1.00 52.41 C ATOM 1887 C MET A 113 -4.557 4.986 -7.138 1.00 43.21 C ATOM 1888 O MET A 113 -3.844 5.437 -8.036 1.00 62.25 O ATOM 1889 CB MET A 113 -3.543 5.059 -4.842 1.00 24.04 C ATOM 1890 CG MET A 113 -2.820 4.407 -3.653 1.00 35.13 C ATOM 1891 SD MET A 113 -3.889 3.475 -2.537 1.00 42.04 S ATOM 1892 CE MET A 113 -2.716 3.130 -1.201 1.00 12.50 C ATOM 0 H MET A 113 -2.078 4.086 -7.000 1.00 11.55 H new ATOM 0 HA MET A 113 -4.628 3.385 -5.682 1.00 52.41 H new ATOM 0 HB2 MET A 113 -2.911 5.861 -5.224 1.00 24.04 H new ATOM 0 HB3 MET A 113 -4.456 5.523 -4.470 1.00 24.04 H new ATOM 0 HG2 MET A 113 -2.048 3.739 -4.037 1.00 35.13 H new ATOM 0 HG3 MET A 113 -2.313 5.185 -3.083 1.00 35.13 H new ATOM 0 HE1 MET A 113 -3.213 2.556 -0.419 1.00 12.50 H new ATOM 0 HE2 MET A 113 -1.876 2.557 -1.593 1.00 12.50 H new ATOM 0 HE3 MET A 113 -2.351 4.069 -0.785 1.00 12.50 H new ATOM 1902 N THR A 114 -5.871 5.240 -7.033 1.00 70.23 N ATOM 1903 CA THR A 114 -6.581 6.186 -7.899 1.00 53.04 C ATOM 1904 C THR A 114 -7.555 7.030 -7.062 1.00 72.10 C ATOM 1905 O THR A 114 -8.445 6.464 -6.433 1.00 25.44 O ATOM 1906 CB THR A 114 -7.382 5.501 -9.047 1.00 25.24 C ATOM 1907 OG1 THR A 114 -6.540 4.649 -9.796 1.00 22.51 O ATOM 1908 CG2 THR A 114 -8.059 6.478 -10.028 1.00 60.41 C ATOM 0 H THR A 114 -6.471 4.791 -6.341 1.00 70.23 H new ATOM 0 HA THR A 114 -5.813 6.806 -8.361 1.00 53.04 H new ATOM 0 HB THR A 114 -8.172 4.947 -8.540 1.00 25.24 H new ATOM 0 HG1 THR A 114 -7.057 4.225 -10.512 1.00 22.51 H new ATOM 0 HG21 THR A 114 -8.593 5.914 -10.793 1.00 60.41 H new ATOM 0 HG22 THR A 114 -8.762 7.109 -9.485 1.00 60.41 H new ATOM 0 HG23 THR A 114 -7.301 7.102 -10.501 1.00 60.41 H new ATOM 1916 N LEU A 115 -7.387 8.362 -7.094 1.00 21.03 N ATOM 1917 CA LEU A 115 -8.273 9.323 -6.437 1.00 55.34 C ATOM 1918 C LEU A 115 -8.683 10.347 -7.502 1.00 64.34 C ATOM 1919 O LEU A 115 -7.893 11.231 -7.831 1.00 21.52 O ATOM 1920 CB LEU A 115 -7.549 9.964 -5.222 1.00 4.13 C ATOM 1921 CG LEU A 115 -8.465 10.584 -4.135 1.00 53.13 C ATOM 1922 CD1 LEU A 115 -7.627 11.287 -3.047 1.00 44.32 C ATOM 1923 CD2 LEU A 115 -9.561 11.531 -4.660 1.00 53.31 C ATOM 0 H LEU A 115 -6.613 8.805 -7.589 1.00 21.03 H new ATOM 0 HA LEU A 115 -9.169 8.851 -6.035 1.00 55.34 H new ATOM 0 HB2 LEU A 115 -6.926 9.203 -4.753 1.00 4.13 H new ATOM 0 HB3 LEU A 115 -6.880 10.741 -5.591 1.00 4.13 H new ATOM 0 HG LEU A 115 -9.000 9.735 -3.709 1.00 53.13 H new ATOM 0 HD11 LEU A 115 -8.291 11.714 -2.296 1.00 44.32 H new ATOM 0 HD12 LEU A 115 -6.963 10.563 -2.575 1.00 44.32 H new ATOM 0 HD13 LEU A 115 -7.034 12.081 -3.501 1.00 44.32 H new ATOM 0 HD21 LEU A 115 -10.146 11.911 -3.822 1.00 53.31 H new ATOM 0 HD22 LEU A 115 -9.099 12.365 -5.188 1.00 53.31 H new ATOM 0 HD23 LEU A 115 -10.215 10.988 -5.342 1.00 53.31 H new ATOM 1935 N GLY A 116 -9.914 10.205 -8.024 1.00 62.11 N ATOM 1936 CA GLY A 116 -10.452 11.063 -9.079 1.00 74.52 C ATOM 1937 C GLY A 116 -9.680 10.814 -10.382 1.00 34.22 C ATOM 1938 O GLY A 116 -9.662 9.689 -10.882 1.00 60.22 O ATOM 0 H GLY A 116 -10.565 9.482 -7.718 1.00 62.11 H new ATOM 0 HA2 GLY A 116 -11.512 10.856 -9.226 1.00 74.52 H new ATOM 0 HA3 GLY A 116 -10.369 12.110 -8.789 1.00 74.52 H new ATOM 1942 N ASP A 117 -9.055 11.877 -10.914 1.00 65.24 N ATOM 1943 CA ASP A 117 -8.215 11.844 -12.114 1.00 12.31 C ATOM 1944 C ASP A 117 -6.756 11.426 -11.803 1.00 24.33 C ATOM 1945 O ASP A 117 -6.050 11.014 -12.724 1.00 32.21 O ATOM 1946 CB ASP A 117 -8.249 13.223 -12.822 1.00 10.40 C ATOM 1947 CG ASP A 117 -7.755 13.212 -14.275 1.00 51.24 C ATOM 1948 OD1 ASP A 117 -7.110 14.213 -14.657 1.00 31.25 O ATOM 1949 OD2 ASP A 117 -8.114 12.261 -15.002 1.00 64.20 O1- ATOM 0 H ASP A 117 -9.125 12.809 -10.506 1.00 65.24 H new ATOM 0 HA ASP A 117 -8.625 11.085 -12.780 1.00 12.31 H new ATOM 0 HB2 ASP A 117 -9.271 13.600 -12.803 1.00 10.40 H new ATOM 0 HB3 ASP A 117 -7.640 13.924 -12.251 1.00 10.40 H new ATOM 1954 N ILE A 118 -6.317 11.531 -10.533 1.00 63.44 N ATOM 1955 CA ILE A 118 -4.956 11.186 -10.108 1.00 63.52 C ATOM 1956 C ILE A 118 -4.778 9.658 -10.100 1.00 62.02 C ATOM 1957 O ILE A 118 -5.612 8.970 -9.514 1.00 3.24 O ATOM 1958 CB ILE A 118 -4.635 11.692 -8.666 1.00 51.20 C ATOM 1959 CG1 ILE A 118 -5.012 13.174 -8.431 1.00 61.42 C ATOM 1960 CG2 ILE A 118 -3.165 11.443 -8.262 1.00 22.15 C ATOM 1961 CD1 ILE A 118 -4.405 14.167 -9.434 1.00 63.33 C ATOM 0 H ILE A 118 -6.907 11.862 -9.770 1.00 63.44 H new ATOM 0 HA ILE A 118 -4.283 11.668 -10.817 1.00 63.52 H new ATOM 0 HB ILE A 118 -5.273 11.091 -8.018 1.00 51.20 H new ATOM 0 HG12 ILE A 118 -6.098 13.266 -8.464 1.00 61.42 H new ATOM 0 HG13 ILE A 118 -4.698 13.458 -7.427 1.00 61.42 H new ATOM 0 HG21 ILE A 118 -2.998 11.814 -7.251 1.00 22.15 H new ATOM 0 HG22 ILE A 118 -2.954 10.374 -8.296 1.00 22.15 H new ATOM 0 HG23 ILE A 118 -2.504 11.965 -8.954 1.00 22.15 H new ATOM 0 HD11 ILE A 118 -4.728 15.178 -9.186 1.00 63.33 H new ATOM 0 HD12 ILE A 118 -3.317 14.111 -9.388 1.00 63.33 H new ATOM 0 HD13 ILE A 118 -4.739 13.917 -10.441 1.00 63.33 H new ATOM 1973 N VAL A 119 -3.691 9.168 -10.720 1.00 14.52 N ATOM 1974 CA VAL A 119 -3.297 7.760 -10.694 1.00 40.30 C ATOM 1975 C VAL A 119 -1.869 7.685 -10.131 1.00 12.04 C ATOM 1976 O VAL A 119 -0.895 7.854 -10.864 1.00 43.32 O ATOM 1977 CB VAL A 119 -3.357 7.092 -12.099 1.00 35.24 C ATOM 1978 CG1 VAL A 119 -2.877 5.623 -12.095 1.00 3.10 C ATOM 1979 CG2 VAL A 119 -4.777 7.154 -12.689 1.00 31.10 C ATOM 0 H VAL A 119 -3.055 9.754 -11.261 1.00 14.52 H new ATOM 0 HA VAL A 119 -4.000 7.211 -10.067 1.00 40.30 H new ATOM 0 HB VAL A 119 -2.672 7.667 -12.722 1.00 35.24 H new ATOM 0 HG11 VAL A 119 -2.944 5.216 -13.104 1.00 3.10 H new ATOM 0 HG12 VAL A 119 -1.843 5.579 -11.754 1.00 3.10 H new ATOM 0 HG13 VAL A 119 -3.506 5.037 -11.425 1.00 3.10 H new ATOM 0 HG21 VAL A 119 -4.784 6.679 -13.670 1.00 31.10 H new ATOM 0 HG22 VAL A 119 -5.469 6.632 -12.028 1.00 31.10 H new ATOM 0 HG23 VAL A 119 -5.085 8.195 -12.787 1.00 31.10 H new ATOM 1989 N PHE A 120 -1.791 7.462 -8.814 1.00 54.22 N ATOM 1990 CA PHE A 120 -0.555 7.272 -8.066 1.00 3.10 C ATOM 1991 C PHE A 120 -0.059 5.826 -8.148 1.00 33.01 C ATOM 1992 O PHE A 120 -0.871 4.910 -8.262 1.00 5.04 O ATOM 1993 CB PHE A 120 -0.811 7.740 -6.625 1.00 54.44 C ATOM 1994 CG PHE A 120 0.285 7.510 -5.599 1.00 55.23 C ATOM 1995 CD1 PHE A 120 1.499 8.214 -5.703 1.00 15.15 C ATOM 1996 CD2 PHE A 120 0.137 6.549 -4.580 1.00 34.05 C ATOM 1997 CE1 PHE A 120 2.515 7.982 -4.791 1.00 72.25 C ATOM 1998 CE2 PHE A 120 1.147 6.367 -3.646 1.00 11.14 C ATOM 1999 CZ PHE A 120 2.328 7.089 -3.748 1.00 21.32 C ATOM 0 H PHE A 120 -2.621 7.408 -8.223 1.00 54.22 H new ATOM 0 HA PHE A 120 0.250 7.866 -8.498 1.00 3.10 H new ATOM 0 HB2 PHE A 120 -1.024 8.809 -6.653 1.00 54.44 H new ATOM 0 HB3 PHE A 120 -1.713 7.244 -6.267 1.00 54.44 H new ATOM 0 HD1 PHE A 120 1.638 8.936 -6.494 1.00 15.15 H new ATOM 0 HD2 PHE A 120 -0.763 5.954 -4.526 1.00 34.05 H new ATOM 0 HE1 PHE A 120 3.457 8.499 -4.893 1.00 72.25 H new ATOM 0 HE2 PHE A 120 1.014 5.662 -2.838 1.00 11.14 H new ATOM 0 HZ PHE A 120 3.105 6.954 -3.011 1.00 21.32 H new ATOM 2009 N LYS A 121 1.266 5.648 -8.066 1.00 52.41 N ATOM 2010 CA LYS A 121 1.896 4.335 -8.064 1.00 73.41 C ATOM 2011 C LYS A 121 3.071 4.336 -7.080 1.00 64.01 C ATOM 2012 O LYS A 121 3.724 5.364 -6.904 1.00 13.03 O ATOM 2013 CB LYS A 121 2.357 3.987 -9.497 1.00 1.55 C ATOM 2014 CG LYS A 121 2.554 2.476 -9.745 1.00 70.32 C ATOM 2015 CD LYS A 121 3.711 2.153 -10.705 1.00 62.43 C ATOM 2016 CE LYS A 121 3.611 2.779 -12.104 1.00 24.15 C ATOM 2017 NZ LYS A 121 2.448 2.276 -12.853 1.00 62.52 N1+ ATOM 0 H LYS A 121 1.929 6.420 -7.999 1.00 52.41 H new ATOM 0 HA LYS A 121 1.185 3.574 -7.742 1.00 73.41 H new ATOM 0 HB2 LYS A 121 1.622 4.368 -10.206 1.00 1.55 H new ATOM 0 HB3 LYS A 121 3.295 4.503 -9.701 1.00 1.55 H new ATOM 0 HG2 LYS A 121 2.736 1.981 -8.791 1.00 70.32 H new ATOM 0 HG3 LYS A 121 1.631 2.060 -10.149 1.00 70.32 H new ATOM 0 HD2 LYS A 121 4.643 2.483 -10.245 1.00 62.43 H new ATOM 0 HD3 LYS A 121 3.776 1.071 -10.815 1.00 62.43 H new ATOM 0 HE2 LYS A 121 3.541 3.863 -12.012 1.00 24.15 H new ATOM 0 HE3 LYS A 121 4.522 2.565 -12.663 1.00 24.15 H new ATOM 0 HZ1 LYS A 121 2.419 2.724 -13.791 1.00 62.52 H new ATOM 0 HZ2 LYS A 121 2.526 1.245 -12.964 1.00 62.52 H new ATOM 0 HZ3 LYS A 121 1.576 2.503 -12.334 1.00 62.52 H new ATOM 2031 N ARG A 122 3.333 3.157 -6.503 1.00 1.23 N ATOM 2032 CA ARG A 122 4.547 2.796 -5.784 1.00 45.20 C ATOM 2033 C ARG A 122 4.979 1.400 -6.239 1.00 21.25 C ATOM 2034 O ARG A 122 4.130 0.558 -6.533 1.00 54.25 O ATOM 2035 CB ARG A 122 4.339 2.794 -4.254 1.00 32.24 C ATOM 2036 CG ARG A 122 3.934 4.157 -3.679 1.00 3.01 C ATOM 2037 CD ARG A 122 4.100 4.272 -2.154 1.00 11.54 C ATOM 2038 NE ARG A 122 3.055 3.562 -1.400 1.00 34.20 N ATOM 2039 CZ ARG A 122 3.155 2.369 -0.784 1.00 63.42 C ATOM 2040 NH1 ARG A 122 4.272 1.627 -0.839 1.00 43.43 N1+ ATOM 2041 NH2 ARG A 122 2.108 1.908 -0.090 1.00 34.12 N ATOM 0 H ARG A 122 2.661 2.390 -6.531 1.00 1.23 H new ATOM 0 HA ARG A 122 5.313 3.539 -6.007 1.00 45.20 H new ATOM 0 HB2 ARG A 122 3.571 2.062 -4.003 1.00 32.24 H new ATOM 0 HB3 ARG A 122 5.261 2.467 -3.773 1.00 32.24 H new ATOM 0 HG2 ARG A 122 4.531 4.933 -4.158 1.00 3.01 H new ATOM 0 HG3 ARG A 122 2.893 4.352 -3.936 1.00 3.01 H new ATOM 0 HD2 ARG A 122 5.075 3.876 -1.871 1.00 11.54 H new ATOM 0 HD3 ARG A 122 4.089 5.325 -1.873 1.00 11.54 H new ATOM 0 HE ARG A 122 2.150 4.028 -1.337 1.00 34.20 H new ATOM 0 HH11 ARG A 122 5.082 1.963 -1.360 1.00 43.43 H new ATOM 0 HH12 ARG A 122 4.311 0.728 -0.359 1.00 43.43 H new ATOM 0 HH21 ARG A 122 1.251 2.458 -0.034 1.00 34.12 H new ATOM 0 HH22 ARG A 122 2.167 1.006 0.383 1.00 34.12 H new ATOM 2055 N ILE A 123 6.298 1.182 -6.233 1.00 44.02 N ATOM 2056 CA ILE A 123 6.924 -0.127 -6.388 1.00 1.53 C ATOM 2057 C ILE A 123 7.823 -0.325 -5.159 1.00 42.14 C ATOM 2058 O ILE A 123 8.545 0.595 -4.777 1.00 11.14 O ATOM 2059 CB ILE A 123 7.813 -0.225 -7.665 1.00 33.44 C ATOM 2060 CG1 ILE A 123 7.029 0.142 -8.951 1.00 44.22 C ATOM 2061 CG2 ILE A 123 8.428 -1.635 -7.829 1.00 11.42 C ATOM 2062 CD1 ILE A 123 7.139 1.623 -9.344 1.00 61.45 C ATOM 0 H ILE A 123 6.975 1.936 -6.117 1.00 44.02 H new ATOM 0 HA ILE A 123 6.145 -0.883 -6.482 1.00 1.53 H new ATOM 0 HB ILE A 123 8.616 0.499 -7.527 1.00 33.44 H new ATOM 0 HG12 ILE A 123 7.394 -0.471 -9.775 1.00 44.22 H new ATOM 0 HG13 ILE A 123 5.978 -0.109 -8.808 1.00 44.22 H new ATOM 0 HG21 ILE A 123 9.040 -1.662 -8.730 1.00 11.42 H new ATOM 0 HG22 ILE A 123 9.048 -1.865 -6.962 1.00 11.42 H new ATOM 0 HG23 ILE A 123 7.630 -2.373 -7.910 1.00 11.42 H new ATOM 0 HD11 ILE A 123 6.564 1.802 -10.253 1.00 61.45 H new ATOM 0 HD12 ILE A 123 6.746 2.243 -8.538 1.00 61.45 H new ATOM 0 HD13 ILE A 123 8.185 1.876 -9.520 1.00 61.45 H new ATOM 2074 N SER A 124 7.756 -1.528 -4.577 1.00 22.23 N ATOM 2075 CA SER A 124 8.583 -1.990 -3.467 1.00 32.50 C ATOM 2076 C SER A 124 9.191 -3.352 -3.852 1.00 25.54 C ATOM 2077 O SER A 124 8.630 -4.054 -4.693 1.00 1.51 O ATOM 2078 CB SER A 124 7.712 -2.109 -2.200 1.00 13.10 C ATOM 2079 OG SER A 124 7.227 -0.846 -1.792 1.00 34.43 O ATOM 0 H SER A 124 7.090 -2.236 -4.885 1.00 22.23 H new ATOM 0 HA SER A 124 9.388 -1.285 -3.260 1.00 32.50 H new ATOM 0 HB2 SER A 124 6.874 -2.778 -2.394 1.00 13.10 H new ATOM 0 HB3 SER A 124 8.296 -2.555 -1.395 1.00 13.10 H new ATOM 0 HG SER A 124 6.677 -0.951 -0.988 1.00 34.43 H new ATOM 2085 N LYS A 125 10.326 -3.707 -3.229 1.00 24.13 N ATOM 2086 CA LYS A 125 11.022 -4.974 -3.465 1.00 34.33 C ATOM 2087 C LYS A 125 11.622 -5.491 -2.151 1.00 1.52 C ATOM 2088 O LYS A 125 12.013 -4.692 -1.300 1.00 34.02 O ATOM 2089 CB LYS A 125 12.087 -4.800 -4.568 1.00 65.50 C ATOM 2090 CG LYS A 125 12.596 -6.117 -5.176 1.00 71.15 C ATOM 2091 CD LYS A 125 13.674 -5.896 -6.253 1.00 22.53 C ATOM 2092 CE LYS A 125 13.808 -7.055 -7.254 1.00 0.14 C ATOM 2093 NZ LYS A 125 14.002 -8.356 -6.590 1.00 21.45 N1+ ATOM 0 H LYS A 125 10.788 -3.113 -2.540 1.00 24.13 H new ATOM 0 HA LYS A 125 10.314 -5.723 -3.819 1.00 34.33 H new ATOM 0 HB2 LYS A 125 11.670 -4.184 -5.365 1.00 65.50 H new ATOM 0 HB3 LYS A 125 12.935 -4.254 -4.154 1.00 65.50 H new ATOM 0 HG2 LYS A 125 13.003 -6.745 -4.384 1.00 71.15 H new ATOM 0 HG3 LYS A 125 11.757 -6.659 -5.613 1.00 71.15 H new ATOM 0 HD2 LYS A 125 13.443 -4.982 -6.800 1.00 22.53 H new ATOM 0 HD3 LYS A 125 14.635 -5.740 -5.763 1.00 22.53 H new ATOM 0 HE2 LYS A 125 12.914 -7.098 -7.876 1.00 0.14 H new ATOM 0 HE3 LYS A 125 14.650 -6.861 -7.919 1.00 0.14 H new ATOM 0 HZ1 LYS A 125 14.171 -9.090 -7.307 1.00 21.45 H new ATOM 0 HZ2 LYS A 125 14.821 -8.301 -5.951 1.00 21.45 H new ATOM 0 HZ3 LYS A 125 13.151 -8.597 -6.042 1.00 21.45 H new ATOM 2107 N ARG A 126 11.651 -6.828 -2.025 1.00 63.52 N ATOM 2108 CA ARG A 126 11.948 -7.596 -0.818 1.00 41.42 C ATOM 2109 C ARG A 126 13.312 -7.280 -0.182 1.00 12.11 C ATOM 2110 O ARG A 126 14.311 -7.155 -0.893 1.00 24.21 O ATOM 2111 CB ARG A 126 11.805 -9.096 -1.148 1.00 33.20 C ATOM 2112 CG ARG A 126 11.767 -10.028 0.080 1.00 73.33 C ATOM 2113 CD ARG A 126 11.682 -11.516 -0.294 1.00 13.21 C ATOM 2114 NE ARG A 126 10.388 -11.882 -0.891 1.00 42.13 N ATOM 2115 CZ ARG A 126 10.116 -13.060 -1.480 1.00 14.43 C ATOM 2116 NH1 ARG A 126 11.036 -14.032 -1.554 1.00 70.12 N1+ ATOM 2117 NH2 ARG A 126 8.903 -13.271 -2.005 1.00 4.03 N ATOM 0 H ARG A 126 11.454 -7.436 -2.820 1.00 63.52 H new ATOM 0 HA ARG A 126 11.228 -7.302 -0.055 1.00 41.42 H new ATOM 0 HB2 ARG A 126 10.892 -9.241 -1.725 1.00 33.20 H new ATOM 0 HB3 ARG A 126 12.636 -9.394 -1.787 1.00 33.20 H new ATOM 0 HG2 ARG A 126 12.660 -9.862 0.683 1.00 73.33 H new ATOM 0 HG3 ARG A 126 10.910 -9.766 0.701 1.00 73.33 H new ATOM 0 HD2 ARG A 126 12.481 -11.756 -0.996 1.00 13.21 H new ATOM 0 HD3 ARG A 126 11.849 -12.120 0.598 1.00 13.21 H new ATOM 0 HE ARG A 126 9.640 -11.189 -0.855 1.00 42.13 H new ATOM 0 HH11 ARG A 126 11.965 -13.886 -1.159 1.00 70.12 H new ATOM 0 HH12 ARG A 126 10.807 -14.918 -2.006 1.00 70.12 H new ATOM 0 HH21 ARG A 126 8.192 -12.541 -1.957 1.00 4.03 H new ATOM 0 HH22 ARG A 126 8.689 -14.162 -2.453 1.00 4.03 H new ATOM 2131 N ILE A 127 13.309 -7.191 1.156 1.00 50.12 N ATOM 2132 CA ILE A 127 14.481 -6.975 2.016 1.00 3.32 C ATOM 2133 C ILE A 127 14.388 -7.979 3.160 1.00 21.41 C ATOM 2134 O ILE A 127 13.444 -8.748 3.363 1.00 22.53 O ATOM 2135 CB ILE A 127 14.575 -5.507 2.534 1.00 70.30 C ATOM 2136 CG1 ILE A 127 13.335 -5.030 3.335 1.00 43.04 C ATOM 2137 CG2 ILE A 127 14.896 -4.532 1.383 1.00 2.02 C ATOM 2138 CD1 ILE A 127 13.509 -3.680 4.046 1.00 0.24 C ATOM 0 H ILE A 127 12.446 -7.272 1.694 1.00 50.12 H new ATOM 0 HA ILE A 127 15.397 -7.131 1.446 1.00 3.32 H new ATOM 0 HB ILE A 127 15.400 -5.505 3.246 1.00 70.30 H new ATOM 0 HG12 ILE A 127 12.486 -4.960 2.655 1.00 43.04 H new ATOM 0 HG13 ILE A 127 13.087 -5.787 4.079 1.00 43.04 H new ATOM 0 HG21 ILE A 127 14.956 -3.516 1.773 1.00 2.02 H new ATOM 0 HG22 ILE A 127 15.850 -4.804 0.931 1.00 2.02 H new ATOM 0 HG23 ILE A 127 14.110 -4.586 0.630 1.00 2.02 H new ATOM 0 HD11 ILE A 127 12.592 -3.429 4.579 1.00 0.24 H new ATOM 0 HD12 ILE A 127 14.335 -3.746 4.755 1.00 0.24 H new ATOM 0 HD13 ILE A 127 13.724 -2.906 3.309 1.00 0.24 H new TER 2150 ILE A 127