USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 938 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 75 ASN : amide:sc= 1.15 K(o=1.6,f=-0.69) USER MOD Set 1.2: A 92 ASN : amide:sc= 0.435 K(o=1.6,f=-4!) USER MOD Set 2.1: A 44 MET CE :methyl 134:sc= -0.558 (180deg=-2.86!) USER MOD Set 2.2: A 57 TYR OH : rot -14:sc= 0.775 USER MOD Set 3.1: A 31 ASN : amide:sc= 0.937 K(o=3.1,f=-0.37!) USER MOD Set 3.2: A 33 SER OG : rot 132:sc= 2.19 USER MOD Set 4.1: A 14 ASN : amide:sc= -0.145 K(o=1.1,f=0.61) USER MOD Set 4.2: A 16 CYS SG : rot 180:sc= 0.442 USER MOD Set 4.3: A 32 THR OG1 : rot -147:sc= 0.827 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.152 (180deg=-0.679) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.0518 (180deg=-0.108) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.916 K(o=-0.92,f=-2.7!) USER MOD Single : A 7 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 9 SER OG : rot 36:sc= 0.532 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 11 MET CE :methyl 152:sc= 0 (180deg=-0.742) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 1.06 (180deg=0.894) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc=-0.00533 (180deg=-0.118) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 37 GLN : amide:sc= 0.659 K(o=0.66,f=-6.1!) USER MOD Single : A 39 MET CE :methyl 157:sc= 0 (180deg=-0.925) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= -1.61! (180deg=-4.31!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -1.74! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.95! K(o=-3!,f=-0.096) USER MOD Single : A 68 THR OG1 : rot -170:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 179:sc= -0.346 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 89 LYS NZ :NH3+ 139:sc= -2.19! (180deg=-4.84!) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 91 GLN : amide:sc= 0.0621 K(o=0.062,f=-7.7!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 165:sc= 0.352 (180deg=-0.788) USER MOD Single : A 106 ASN : amide:sc= -2.18! C(o=-2.2!,f=-4.6!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 114 GLN : amide:sc= -0.748 K(o=-0.75,f=-3.6!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 35:sc= 0.311 USER MOD Single : A 120 LYS NZ :NH3+ -126:sc= 0.505 (180deg=-1.67!) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.446 -4.006 -30.000 1.00 0.00 N ATOM 2 CA MET A 1 -9.790 -4.673 -28.843 1.00 52.33 C ATOM 3 C MET A 1 -10.741 -5.656 -28.141 1.00 64.43 C ATOM 4 O MET A 1 -11.810 -5.986 -28.660 1.00 4.33 O ATOM 5 CB MET A 1 -9.292 -3.618 -27.840 1.00 74.21 C ATOM 6 CG MET A 1 -8.196 -2.713 -28.383 1.00 70.33 C ATOM 7 SD MET A 1 -7.635 -1.501 -27.169 1.00 11.04 S ATOM 8 CE MET A 1 -6.965 -2.567 -25.894 1.00 72.32 C ATOM 0 H1 MET A 1 -9.841 -4.095 -30.841 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.365 -4.457 -30.185 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.592 -2.999 -29.783 1.00 0.00 H new ATOM 0 HA MET A 1 -8.943 -5.243 -29.224 1.00 52.33 H new ATOM 0 HB2 MET A 1 -10.136 -3.002 -27.528 1.00 74.21 H new ATOM 0 HB3 MET A 1 -8.921 -4.125 -26.949 1.00 74.21 H new ATOM 0 HG2 MET A 1 -7.350 -3.323 -28.700 1.00 70.33 H new ATOM 0 HG3 MET A 1 -8.564 -2.193 -29.267 1.00 70.33 H new ATOM 0 HE1 MET A 1 -6.280 -1.997 -25.266 1.00 72.32 H new ATOM 0 HE2 MET A 1 -7.778 -2.958 -25.282 1.00 72.32 H new ATOM 0 HE3 MET A 1 -6.429 -3.395 -26.357 1.00 72.32 H new ATOM 20 N GLY A 2 -10.334 -6.136 -26.965 1.00 35.00 N ATOM 21 CA GLY A 2 -11.166 -7.048 -26.186 1.00 72.53 C ATOM 22 C GLY A 2 -10.357 -8.147 -25.503 1.00 4.20 C ATOM 23 O GLY A 2 -10.698 -9.326 -25.590 1.00 13.51 O ATOM 0 H GLY A 2 -9.438 -5.909 -26.535 1.00 35.00 H new ATOM 0 HA2 GLY A 2 -11.710 -6.481 -25.431 1.00 72.53 H new ATOM 0 HA3 GLY A 2 -11.909 -7.503 -26.840 1.00 72.53 H new ATOM 27 N HIS A 3 -9.284 -7.757 -24.820 1.00 40.45 N ATOM 28 CA HIS A 3 -8.383 -8.707 -24.158 1.00 12.21 C ATOM 29 C HIS A 3 -8.637 -8.756 -22.640 1.00 30.31 C ATOM 30 O HIS A 3 -8.125 -7.926 -21.886 1.00 73.45 O ATOM 31 CB HIS A 3 -6.929 -8.309 -24.446 1.00 0.03 C ATOM 32 CG HIS A 3 -5.910 -9.186 -23.786 1.00 62.12 C ATOM 33 ND1 HIS A 3 -5.374 -8.903 -22.551 1.00 31.24 N ATOM 34 CD2 HIS A 3 -5.322 -10.339 -24.190 1.00 24.14 C ATOM 35 CE1 HIS A 3 -4.508 -9.838 -22.222 1.00 32.01 C ATOM 36 NE2 HIS A 3 -4.456 -10.721 -23.196 1.00 35.12 N ATOM 0 H HIS A 3 -9.012 -6.780 -24.708 1.00 40.45 H new ATOM 0 HA HIS A 3 -8.575 -9.704 -24.553 1.00 12.21 H new ATOM 0 HB2 HIS A 3 -6.765 -8.328 -25.523 1.00 0.03 H new ATOM 0 HB3 HIS A 3 -6.774 -7.281 -24.119 1.00 0.03 H new ATOM 0 HD2 HIS A 3 -5.501 -10.859 -25.119 1.00 24.14 H new ATOM 0 HE1 HIS A 3 -3.936 -9.874 -21.306 1.00 32.01 H new ATOM 0 HE2 HIS A 3 -3.868 -11.554 -23.210 1.00 35.12 H new ATOM 45 N HIS A 4 -9.428 -9.734 -22.196 1.00 4.34 N ATOM 46 CA HIS A 4 -9.778 -9.871 -20.775 1.00 61.21 C ATOM 47 C HIS A 4 -9.888 -11.345 -20.340 1.00 74.42 C ATOM 48 O HIS A 4 -9.760 -12.260 -21.152 1.00 44.15 O ATOM 49 CB HIS A 4 -11.095 -9.134 -20.485 1.00 61.45 C ATOM 50 CG HIS A 4 -12.218 -9.497 -21.418 1.00 55.21 C ATOM 51 ND1 HIS A 4 -13.017 -10.608 -21.245 1.00 41.32 N ATOM 52 CD2 HIS A 4 -12.683 -8.882 -22.536 1.00 32.12 C ATOM 53 CE1 HIS A 4 -13.913 -10.660 -22.208 1.00 25.13 C ATOM 54 NE2 HIS A 4 -13.733 -9.629 -23.003 1.00 20.42 N ATOM 0 H HIS A 4 -9.841 -10.446 -22.799 1.00 4.34 H new ATOM 0 HA HIS A 4 -8.971 -9.422 -20.196 1.00 61.21 H new ATOM 0 HB2 HIS A 4 -11.402 -9.350 -19.462 1.00 61.45 H new ATOM 0 HB3 HIS A 4 -10.919 -8.060 -20.545 1.00 61.45 H new ATOM 0 HD2 HIS A 4 -12.297 -7.974 -22.975 1.00 32.12 H new ATOM 0 HE1 HIS A 4 -14.669 -11.422 -22.325 1.00 25.13 H new ATOM 0 HE2 HIS A 4 -14.286 -9.419 -23.834 1.00 20.42 H new ATOM 63 N HIS A 5 -10.101 -11.559 -19.040 1.00 32.30 N ATOM 64 CA HIS A 5 -10.303 -12.905 -18.481 1.00 13.04 C ATOM 65 C HIS A 5 -11.491 -12.917 -17.505 1.00 62.42 C ATOM 66 O HIS A 5 -11.467 -12.237 -16.479 1.00 32.02 O ATOM 67 CB HIS A 5 -9.031 -13.392 -17.769 1.00 62.44 C ATOM 68 CG HIS A 5 -7.876 -13.648 -18.694 1.00 21.44 C ATOM 69 ND1 HIS A 5 -7.725 -14.821 -19.403 1.00 74.45 N ATOM 70 CD2 HIS A 5 -6.810 -12.876 -19.022 1.00 12.41 C ATOM 71 CE1 HIS A 5 -6.623 -14.762 -20.123 1.00 13.14 C ATOM 72 NE2 HIS A 5 -6.052 -13.596 -19.911 1.00 13.42 N ATOM 0 H HIS A 5 -10.139 -10.812 -18.346 1.00 32.30 H new ATOM 0 HA HIS A 5 -10.524 -13.583 -19.306 1.00 13.04 H new ATOM 0 HB2 HIS A 5 -8.733 -12.649 -17.029 1.00 62.44 H new ATOM 0 HB3 HIS A 5 -9.259 -14.309 -17.226 1.00 62.44 H new ATOM 0 HD2 HIS A 5 -6.598 -11.883 -18.653 1.00 12.41 H new ATOM 0 HE1 HIS A 5 -6.252 -15.538 -20.776 1.00 13.14 H new ATOM 0 HE2 HIS A 5 -5.183 -13.277 -20.340 1.00 13.42 H new ATOM 81 N HIS A 6 -12.527 -13.681 -17.839 1.00 73.22 N ATOM 82 CA HIS A 6 -13.753 -13.736 -17.026 1.00 3.34 C ATOM 83 C HIS A 6 -13.514 -14.328 -15.619 1.00 33.23 C ATOM 84 O HIS A 6 -13.296 -15.529 -15.461 1.00 43.33 O ATOM 85 CB HIS A 6 -14.852 -14.527 -17.758 1.00 1.43 C ATOM 86 CG HIS A 6 -14.441 -15.904 -18.195 1.00 3.45 C ATOM 87 ND1 HIS A 6 -14.385 -16.984 -17.338 1.00 1.04 N ATOM 88 CD2 HIS A 6 -14.067 -16.376 -19.408 1.00 21.45 C ATOM 89 CE1 HIS A 6 -13.998 -18.052 -18.000 1.00 41.41 C ATOM 90 NE2 HIS A 6 -13.798 -17.712 -19.255 1.00 33.23 N ATOM 0 H HIS A 6 -12.548 -14.275 -18.668 1.00 73.22 H new ATOM 0 HA HIS A 6 -14.081 -12.706 -16.886 1.00 3.34 H new ATOM 0 HB2 HIS A 6 -15.719 -14.611 -17.103 1.00 1.43 H new ATOM 0 HB3 HIS A 6 -15.168 -13.960 -18.634 1.00 1.43 H new ATOM 0 HD1 HIS A 6 -14.609 -16.958 -16.343 1.00 1.04 H new ATOM 0 HD2 HIS A 6 -13.994 -15.807 -20.323 1.00 21.45 H new ATOM 0 HE1 HIS A 6 -13.867 -19.040 -17.584 1.00 41.41 H new ATOM 99 N HIS A 7 -13.558 -13.468 -14.602 1.00 44.21 N ATOM 100 CA HIS A 7 -13.472 -13.900 -13.200 1.00 54.42 C ATOM 101 C HIS A 7 -14.355 -12.994 -12.316 1.00 43.30 C ATOM 102 O HIS A 7 -14.371 -11.774 -12.486 1.00 70.14 O ATOM 103 CB HIS A 7 -12.009 -13.865 -12.712 1.00 55.21 C ATOM 104 CG HIS A 7 -11.783 -14.549 -11.387 1.00 34.42 C ATOM 105 ND1 HIS A 7 -11.025 -15.692 -11.248 1.00 41.03 N ATOM 106 CD2 HIS A 7 -12.215 -14.242 -10.136 1.00 50.34 C ATOM 107 CE1 HIS A 7 -11.008 -16.063 -9.982 1.00 74.04 C ATOM 108 NE2 HIS A 7 -11.720 -15.200 -9.285 1.00 20.11 N ATOM 0 H HIS A 7 -13.653 -12.459 -14.721 1.00 44.21 H new ATOM 0 HA HIS A 7 -13.833 -14.926 -13.126 1.00 54.42 H new ATOM 0 HB2 HIS A 7 -11.376 -14.336 -13.464 1.00 55.21 H new ATOM 0 HB3 HIS A 7 -11.689 -12.826 -12.631 1.00 55.21 H new ATOM 0 HD2 HIS A 7 -12.833 -13.400 -9.861 1.00 50.34 H new ATOM 0 HE1 HIS A 7 -10.497 -16.927 -9.584 1.00 74.04 H new ATOM 0 HE2 HIS A 7 -11.878 -15.237 -8.278 1.00 20.11 H new ATOM 117 N HIS A 8 -15.089 -13.592 -11.380 1.00 23.00 N ATOM 118 CA HIS A 8 -15.987 -12.829 -10.503 1.00 41.44 C ATOM 119 C HIS A 8 -15.960 -13.361 -9.063 1.00 14.24 C ATOM 120 O HIS A 8 -15.887 -14.570 -8.846 1.00 15.04 O ATOM 121 CB HIS A 8 -17.423 -12.874 -11.043 1.00 24.03 C ATOM 122 CG HIS A 8 -18.017 -14.251 -11.075 1.00 61.34 C ATOM 123 ND1 HIS A 8 -18.790 -14.760 -10.054 1.00 31.42 N ATOM 124 CD2 HIS A 8 -17.950 -15.228 -12.012 1.00 64.41 C ATOM 125 CE1 HIS A 8 -19.171 -15.983 -10.357 1.00 40.53 C ATOM 126 NE2 HIS A 8 -18.676 -16.289 -11.536 1.00 32.13 N ATOM 0 H HIS A 8 -15.083 -14.597 -11.206 1.00 23.00 H new ATOM 0 HA HIS A 8 -15.634 -11.798 -10.490 1.00 41.44 H new ATOM 0 HB2 HIS A 8 -18.053 -12.232 -10.427 1.00 24.03 H new ATOM 0 HB3 HIS A 8 -17.435 -12.460 -12.051 1.00 24.03 H new ATOM 0 HD2 HIS A 8 -17.425 -15.180 -12.954 1.00 64.41 H new ATOM 0 HE1 HIS A 8 -19.785 -16.625 -9.743 1.00 40.53 H new ATOM 0 HE2 HIS A 8 -18.811 -17.176 -12.020 1.00 32.13 H new ATOM 135 N SER A 9 -16.037 -12.451 -8.091 1.00 40.33 N ATOM 136 CA SER A 9 -16.030 -12.824 -6.665 1.00 21.10 C ATOM 137 C SER A 9 -16.171 -11.596 -5.755 1.00 64.54 C ATOM 138 O SER A 9 -15.270 -10.761 -5.686 1.00 54.22 O ATOM 139 CB SER A 9 -14.736 -13.575 -6.302 1.00 23.25 C ATOM 140 OG SER A 9 -13.579 -12.797 -6.586 1.00 2.42 O ATOM 0 H SER A 9 -16.105 -11.447 -8.260 1.00 40.33 H new ATOM 0 HA SER A 9 -16.888 -13.476 -6.505 1.00 21.10 H new ATOM 0 HB2 SER A 9 -14.750 -13.833 -5.243 1.00 23.25 H new ATOM 0 HB3 SER A 9 -14.690 -14.511 -6.858 1.00 23.25 H new ATOM 0 HG SER A 9 -13.765 -11.854 -6.396 1.00 2.42 H new ATOM 146 N HIS A 10 -17.301 -11.486 -5.054 1.00 72.25 N ATOM 147 CA HIS A 10 -17.493 -10.408 -4.077 1.00 44.02 C ATOM 148 C HIS A 10 -16.699 -10.692 -2.795 1.00 23.12 C ATOM 149 O HIS A 10 -17.186 -11.357 -1.879 1.00 21.45 O ATOM 150 CB HIS A 10 -18.981 -10.220 -3.745 1.00 3.43 C ATOM 151 CG HIS A 10 -19.800 -9.718 -4.896 1.00 33.12 C ATOM 152 ND1 HIS A 10 -19.628 -8.467 -5.451 1.00 72.32 N ATOM 153 CD2 HIS A 10 -20.810 -10.296 -5.596 1.00 23.31 C ATOM 154 CE1 HIS A 10 -20.488 -8.296 -6.431 1.00 34.02 C ATOM 155 NE2 HIS A 10 -21.216 -9.386 -6.541 1.00 23.22 N ATOM 0 H HIS A 10 -18.092 -12.124 -5.142 1.00 72.25 H new ATOM 0 HA HIS A 10 -17.122 -9.485 -4.523 1.00 44.02 H new ATOM 0 HB2 HIS A 10 -19.391 -11.172 -3.407 1.00 3.43 H new ATOM 0 HB3 HIS A 10 -19.073 -9.521 -2.914 1.00 3.43 H new ATOM 0 HD2 HIS A 10 -21.217 -11.284 -5.439 1.00 23.31 H new ATOM 0 HE1 HIS A 10 -20.581 -7.410 -7.042 1.00 34.02 H new ATOM 0 HE2 HIS A 10 -21.963 -9.532 -7.220 1.00 23.22 H new ATOM 164 N MET A 11 -15.463 -10.211 -2.754 1.00 42.23 N ATOM 165 CA MET A 11 -14.574 -10.439 -1.613 1.00 52.33 C ATOM 166 C MET A 11 -14.533 -9.225 -0.677 1.00 44.15 C ATOM 167 O MET A 11 -14.643 -8.080 -1.122 1.00 71.12 O ATOM 168 CB MET A 11 -13.162 -10.768 -2.112 1.00 74.05 C ATOM 169 CG MET A 11 -13.064 -12.113 -2.821 1.00 11.34 C ATOM 170 SD MET A 11 -13.468 -13.495 -1.730 1.00 71.33 S ATOM 171 CE MET A 11 -13.214 -14.891 -2.824 1.00 15.33 C ATOM 0 H MET A 11 -15.047 -9.656 -3.502 1.00 42.23 H new ATOM 0 HA MET A 11 -14.966 -11.282 -1.044 1.00 52.33 H new ATOM 0 HB2 MET A 11 -12.834 -9.983 -2.793 1.00 74.05 H new ATOM 0 HB3 MET A 11 -12.476 -10.762 -1.265 1.00 74.05 H new ATOM 0 HG2 MET A 11 -13.739 -12.120 -3.677 1.00 11.34 H new ATOM 0 HG3 MET A 11 -12.054 -12.243 -3.210 1.00 11.34 H new ATOM 0 HE1 MET A 11 -12.934 -15.766 -2.238 1.00 15.33 H new ATOM 0 HE2 MET A 11 -14.135 -15.099 -3.369 1.00 15.33 H new ATOM 0 HE3 MET A 11 -12.418 -14.658 -3.532 1.00 15.33 H new ATOM 181 N THR A 12 -14.366 -9.489 0.618 1.00 41.20 N ATOM 182 CA THR A 12 -14.305 -8.421 1.628 1.00 51.42 C ATOM 183 C THR A 12 -12.992 -7.631 1.543 1.00 43.14 C ATOM 184 O THR A 12 -12.977 -6.412 1.730 1.00 45.42 O ATOM 185 CB THR A 12 -14.468 -8.980 3.067 1.00 14.32 C ATOM 186 OG1 THR A 12 -14.339 -7.922 4.032 1.00 13.43 O ATOM 187 CG2 THR A 12 -13.440 -10.069 3.362 1.00 22.31 C ATOM 0 H THR A 12 -14.270 -10.431 0.997 1.00 41.20 H new ATOM 0 HA THR A 12 -15.137 -7.751 1.411 1.00 51.42 H new ATOM 0 HB THR A 12 -15.463 -9.418 3.139 1.00 14.32 H new ATOM 0 HG1 THR A 12 -14.445 -8.288 4.935 1.00 13.43 H new ATOM 0 HG21 THR A 12 -13.582 -10.438 4.378 1.00 22.31 H new ATOM 0 HG22 THR A 12 -13.567 -10.890 2.656 1.00 22.31 H new ATOM 0 HG23 THR A 12 -12.436 -9.658 3.263 1.00 22.31 H new ATOM 195 N GLY A 13 -11.891 -8.329 1.252 1.00 60.54 N ATOM 196 CA GLY A 13 -10.586 -7.680 1.182 1.00 71.43 C ATOM 197 C GLY A 13 -10.147 -7.073 2.513 1.00 35.12 C ATOM 198 O GLY A 13 -10.094 -5.853 2.665 1.00 72.22 O ATOM 0 H GLY A 13 -11.879 -9.331 1.064 1.00 60.54 H new ATOM 0 HA2 GLY A 13 -9.842 -8.408 0.858 1.00 71.43 H new ATOM 0 HA3 GLY A 13 -10.616 -6.897 0.425 1.00 71.43 H new ATOM 202 N ASN A 14 -9.848 -7.924 3.491 1.00 1.43 N ATOM 203 CA ASN A 14 -9.390 -7.457 4.803 1.00 33.04 C ATOM 204 C ASN A 14 -7.867 -7.227 4.798 1.00 62.53 C ATOM 205 O ASN A 14 -7.084 -8.135 5.069 1.00 2.22 O ATOM 206 CB ASN A 14 -9.796 -8.464 5.894 1.00 13.21 C ATOM 207 CG ASN A 14 -9.428 -8.004 7.294 1.00 62.14 C ATOM 208 OD1 ASN A 14 -9.321 -6.814 7.566 1.00 22.33 O ATOM 209 ND2 ASN A 14 -9.249 -8.946 8.200 1.00 51.51 N ATOM 0 H ASN A 14 -9.913 -8.938 3.404 1.00 1.43 H new ATOM 0 HA ASN A 14 -9.868 -6.502 5.023 1.00 33.04 H new ATOM 0 HB2 ASN A 14 -10.872 -8.631 5.844 1.00 13.21 H new ATOM 0 HB3 ASN A 14 -9.315 -9.421 5.694 1.00 13.21 H new ATOM 0 HD21 ASN A 14 -9.014 -8.693 9.160 1.00 51.51 H new ATOM 0 HD22 ASN A 14 -9.345 -9.928 7.941 1.00 51.51 H new ATOM 216 N VAL A 15 -7.460 -6.007 4.446 1.00 63.33 N ATOM 217 CA VAL A 15 -6.039 -5.641 4.364 1.00 33.51 C ATOM 218 C VAL A 15 -5.734 -4.383 5.197 1.00 63.13 C ATOM 219 O VAL A 15 -6.510 -3.428 5.204 1.00 12.11 O ATOM 220 CB VAL A 15 -5.607 -5.390 2.893 1.00 0.43 C ATOM 221 CG1 VAL A 15 -4.118 -5.056 2.805 1.00 21.45 C ATOM 222 CG2 VAL A 15 -5.946 -6.592 2.008 1.00 24.54 C ATOM 0 H VAL A 15 -8.098 -5.247 4.211 1.00 63.33 H new ATOM 0 HA VAL A 15 -5.474 -6.481 4.767 1.00 33.51 H new ATOM 0 HB VAL A 15 -6.167 -4.530 2.526 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -3.844 -4.885 1.764 1.00 21.45 H new ATOM 0 HG12 VAL A 15 -3.912 -4.157 3.386 1.00 21.45 H new ATOM 0 HG13 VAL A 15 -3.535 -5.887 3.202 1.00 21.45 H new ATOM 0 HG21 VAL A 15 -5.633 -6.389 0.984 1.00 24.54 H new ATOM 0 HG22 VAL A 15 -5.425 -7.475 2.379 1.00 24.54 H new ATOM 0 HG23 VAL A 15 -7.021 -6.769 2.030 1.00 24.54 H new ATOM 232 N CYS A 16 -4.597 -4.388 5.892 1.00 61.12 N ATOM 233 CA CYS A 16 -4.172 -3.245 6.715 1.00 52.44 C ATOM 234 C CYS A 16 -2.804 -2.708 6.258 1.00 61.03 C ATOM 235 O CYS A 16 -2.035 -3.410 5.601 1.00 53.12 O ATOM 236 CB CYS A 16 -4.101 -3.648 8.195 1.00 31.54 C ATOM 237 SG CYS A 16 -5.667 -4.245 8.880 1.00 10.32 S ATOM 0 H CYS A 16 -3.947 -5.174 5.904 1.00 61.12 H new ATOM 0 HA CYS A 16 -4.912 -2.454 6.592 1.00 52.44 H new ATOM 0 HB2 CYS A 16 -3.347 -4.426 8.312 1.00 31.54 H new ATOM 0 HB3 CYS A 16 -3.767 -2.790 8.778 1.00 31.54 H new ATOM 0 HG CYS A 16 -5.501 -4.561 10.130 1.00 10.32 H new ATOM 243 N ILE A 17 -2.502 -1.459 6.612 1.00 15.34 N ATOM 244 CA ILE A 17 -1.226 -0.828 6.240 1.00 2.03 C ATOM 245 C ILE A 17 -0.173 -1.008 7.341 1.00 23.40 C ATOM 246 O ILE A 17 -0.423 -0.686 8.504 1.00 54.11 O ATOM 247 CB ILE A 17 -1.410 0.687 5.974 1.00 22.31 C ATOM 248 CG1 ILE A 17 -2.527 0.922 4.945 1.00 52.54 C ATOM 249 CG2 ILE A 17 -0.095 1.314 5.498 1.00 25.10 C ATOM 250 CD1 ILE A 17 -2.840 2.384 4.695 1.00 24.01 C ATOM 0 H ILE A 17 -3.122 -0.859 7.157 1.00 15.34 H new ATOM 0 HA ILE A 17 -0.884 -1.320 5.329 1.00 2.03 H new ATOM 0 HB ILE A 17 -1.699 1.168 6.909 1.00 22.31 H new ATOM 0 HG12 ILE A 17 -2.241 0.456 4.002 1.00 52.54 H new ATOM 0 HG13 ILE A 17 -3.433 0.421 5.287 1.00 52.54 H new ATOM 0 HG21 ILE A 17 -0.244 2.378 5.316 1.00 25.10 H new ATOM 0 HG22 ILE A 17 0.670 1.180 6.263 1.00 25.10 H new ATOM 0 HG23 ILE A 17 0.226 0.830 4.576 1.00 25.10 H new ATOM 0 HD11 ILE A 17 -3.638 2.464 3.957 1.00 24.01 H new ATOM 0 HD12 ILE A 17 -3.158 2.852 5.626 1.00 24.01 H new ATOM 0 HD13 ILE A 17 -1.949 2.888 4.321 1.00 24.01 H new ATOM 262 N GLU A 18 1.007 -1.508 6.979 1.00 61.22 N ATOM 263 CA GLU A 18 2.088 -1.687 7.954 1.00 61.33 C ATOM 264 C GLU A 18 2.840 -0.369 8.194 1.00 74.13 C ATOM 265 O GLU A 18 2.626 0.303 9.207 1.00 32.41 O ATOM 266 CB GLU A 18 3.081 -2.764 7.487 1.00 12.44 C ATOM 267 CG GLU A 18 4.159 -3.078 8.522 1.00 4.35 C ATOM 268 CD GLU A 18 5.304 -3.905 7.961 1.00 32.44 C ATOM 269 OE1 GLU A 18 5.044 -4.973 7.370 1.00 41.44 O ATOM 270 OE2 GLU A 18 6.473 -3.501 8.126 1.00 24.34 O ATOM 0 H GLU A 18 1.240 -1.795 6.028 1.00 61.22 H new ATOM 0 HA GLU A 18 1.629 -2.009 8.889 1.00 61.33 H new ATOM 0 HB2 GLU A 18 2.533 -3.677 7.254 1.00 12.44 H new ATOM 0 HB3 GLU A 18 3.558 -2.434 6.564 1.00 12.44 H new ATOM 0 HG2 GLU A 18 4.555 -2.144 8.920 1.00 4.35 H new ATOM 0 HG3 GLU A 18 3.707 -3.614 9.357 1.00 4.35 H new ATOM 277 N GLU A 19 3.704 -0.001 7.246 1.00 74.44 N ATOM 278 CA GLU A 19 4.531 1.206 7.360 1.00 71.51 C ATOM 279 C GLU A 19 5.226 1.522 6.023 1.00 11.23 C ATOM 280 O GLU A 19 5.394 0.641 5.174 1.00 42.12 O ATOM 281 CB GLU A 19 5.582 1.015 8.469 1.00 35.42 C ATOM 282 CG GLU A 19 6.394 2.269 8.803 1.00 74.24 C ATOM 283 CD GLU A 19 5.525 3.409 9.313 1.00 23.31 C ATOM 284 OE1 GLU A 19 5.048 4.211 8.486 1.00 4.32 O ATOM 285 OE2 GLU A 19 5.303 3.491 10.544 1.00 11.13 O ATOM 0 H GLU A 19 3.851 -0.525 6.383 1.00 74.44 H new ATOM 0 HA GLU A 19 3.885 2.046 7.616 1.00 71.51 H new ATOM 0 HB2 GLU A 19 5.078 0.673 9.373 1.00 35.42 H new ATOM 0 HB3 GLU A 19 6.268 0.224 8.168 1.00 35.42 H new ATOM 0 HG2 GLU A 19 7.143 2.023 9.556 1.00 74.24 H new ATOM 0 HG3 GLU A 19 6.932 2.597 7.914 1.00 74.24 H new ATOM 292 N ILE A 20 5.623 2.775 5.837 1.00 0.21 N ATOM 293 CA ILE A 20 6.323 3.192 4.616 1.00 55.55 C ATOM 294 C ILE A 20 7.851 3.085 4.777 1.00 71.41 C ATOM 295 O ILE A 20 8.391 3.301 5.862 1.00 21.23 O ATOM 296 CB ILE A 20 5.926 4.640 4.215 1.00 2.31 C ATOM 297 CG1 ILE A 20 4.412 4.707 3.923 1.00 23.15 C ATOM 298 CG2 ILE A 20 6.737 5.122 3.010 1.00 4.34 C ATOM 299 CD1 ILE A 20 3.926 6.062 3.444 1.00 10.15 C ATOM 0 H ILE A 20 5.475 3.524 6.513 1.00 0.21 H new ATOM 0 HA ILE A 20 6.018 2.513 3.820 1.00 55.55 H new ATOM 0 HB ILE A 20 6.153 5.305 5.048 1.00 2.31 H new ATOM 0 HG12 ILE A 20 4.166 3.959 3.169 1.00 23.15 H new ATOM 0 HG13 ILE A 20 3.867 4.438 4.828 1.00 23.15 H new ATOM 0 HG21 ILE A 20 6.437 6.138 2.753 1.00 4.34 H new ATOM 0 HG22 ILE A 20 7.799 5.108 3.257 1.00 4.34 H new ATOM 0 HG23 ILE A 20 6.553 4.464 2.161 1.00 4.34 H new ATOM 0 HD11 ILE A 20 2.852 6.020 3.263 1.00 10.15 H new ATOM 0 HD12 ILE A 20 4.137 6.814 4.205 1.00 10.15 H new ATOM 0 HD13 ILE A 20 4.440 6.327 2.520 1.00 10.15 H new ATOM 311 N ASP A 21 8.538 2.733 3.690 1.00 60.41 N ATOM 312 CA ASP A 21 9.993 2.541 3.712 1.00 24.51 C ATOM 313 C ASP A 21 10.753 3.846 4.022 1.00 65.52 C ATOM 314 O ASP A 21 10.371 4.928 3.574 1.00 62.15 O ATOM 315 CB ASP A 21 10.454 1.957 2.374 1.00 1.20 C ATOM 316 CG ASP A 21 11.960 1.852 2.269 1.00 64.30 C ATOM 317 OD1 ASP A 21 12.590 1.290 3.188 1.00 1.31 O ATOM 318 OD2 ASP A 21 12.521 2.333 1.268 1.00 62.14 O ATOM 0 H ASP A 21 8.110 2.574 2.778 1.00 60.41 H new ATOM 0 HA ASP A 21 10.224 1.844 4.517 1.00 24.51 H new ATOM 0 HB2 ASP A 21 10.015 0.968 2.244 1.00 1.20 H new ATOM 0 HB3 ASP A 21 10.080 2.581 1.562 1.00 1.20 H new ATOM 323 N VAL A 22 11.847 3.717 4.773 1.00 25.41 N ATOM 324 CA VAL A 22 12.657 4.869 5.186 1.00 61.23 C ATOM 325 C VAL A 22 13.485 5.442 4.020 1.00 31.41 C ATOM 326 O VAL A 22 13.802 6.636 3.995 1.00 4.00 O ATOM 327 CB VAL A 22 13.601 4.489 6.360 1.00 43.41 C ATOM 328 CG1 VAL A 22 14.595 3.407 5.938 1.00 44.33 C ATOM 329 CG2 VAL A 22 14.325 5.720 6.907 1.00 50.13 C ATOM 0 H VAL A 22 12.197 2.820 5.111 1.00 25.41 H new ATOM 0 HA VAL A 22 11.962 5.640 5.517 1.00 61.23 H new ATOM 0 HB VAL A 22 12.986 4.082 7.163 1.00 43.41 H new ATOM 0 HG11 VAL A 22 15.243 3.160 6.779 1.00 44.33 H new ATOM 0 HG12 VAL A 22 14.051 2.516 5.625 1.00 44.33 H new ATOM 0 HG13 VAL A 22 15.200 3.773 5.108 1.00 44.33 H new ATOM 0 HG21 VAL A 22 14.978 5.423 7.727 1.00 50.13 H new ATOM 0 HG22 VAL A 22 14.921 6.174 6.115 1.00 50.13 H new ATOM 0 HG23 VAL A 22 13.593 6.442 7.269 1.00 50.13 H new ATOM 339 N ASP A 23 13.839 4.593 3.057 1.00 51.33 N ATOM 340 CA ASP A 23 14.580 5.041 1.873 1.00 5.11 C ATOM 341 C ASP A 23 13.626 5.645 0.828 1.00 40.31 C ATOM 342 O ASP A 23 13.991 6.556 0.086 1.00 51.31 O ATOM 343 CB ASP A 23 15.369 3.875 1.267 1.00 0.41 C ATOM 344 CG ASP A 23 16.233 4.304 0.091 1.00 3.31 C ATOM 345 OD1 ASP A 23 17.398 4.697 0.313 1.00 62.43 O ATOM 346 OD2 ASP A 23 15.758 4.249 -1.061 1.00 42.00 O ATOM 0 H ASP A 23 13.627 3.595 3.070 1.00 51.33 H new ATOM 0 HA ASP A 23 15.282 5.816 2.181 1.00 5.11 H new ATOM 0 HB2 ASP A 23 16.002 3.431 2.035 1.00 0.41 H new ATOM 0 HB3 ASP A 23 14.674 3.102 0.940 1.00 0.41 H new ATOM 351 N GLY A 24 12.399 5.130 0.786 1.00 11.42 N ATOM 352 CA GLY A 24 11.402 5.620 -0.159 1.00 54.12 C ATOM 353 C GLY A 24 11.242 4.720 -1.382 1.00 2.44 C ATOM 354 O GLY A 24 10.686 5.135 -2.397 1.00 42.44 O ATOM 0 H GLY A 24 12.074 4.377 1.393 1.00 11.42 H new ATOM 0 HA2 GLY A 24 10.441 5.707 0.348 1.00 54.12 H new ATOM 0 HA3 GLY A 24 11.682 6.621 -0.486 1.00 54.12 H new ATOM 358 N LYS A 25 11.736 3.484 -1.289 1.00 3.24 N ATOM 359 CA LYS A 25 11.627 2.521 -2.395 1.00 52.35 C ATOM 360 C LYS A 25 10.232 1.885 -2.480 1.00 44.43 C ATOM 361 O LYS A 25 9.777 1.533 -3.571 1.00 32.14 O ATOM 362 CB LYS A 25 12.674 1.401 -2.262 1.00 72.31 C ATOM 363 CG LYS A 25 14.111 1.844 -2.518 1.00 35.03 C ATOM 364 CD LYS A 25 15.068 0.653 -2.534 1.00 63.13 C ATOM 365 CE LYS A 25 16.493 1.067 -2.890 1.00 13.32 C ATOM 366 NZ LYS A 25 17.054 2.029 -1.910 1.00 2.23 N ATOM 0 H LYS A 25 12.215 3.124 -0.463 1.00 3.24 H new ATOM 0 HA LYS A 25 11.807 3.089 -3.308 1.00 52.35 H new ATOM 0 HB2 LYS A 25 12.611 0.979 -1.259 1.00 72.31 H new ATOM 0 HB3 LYS A 25 12.424 0.602 -2.960 1.00 72.31 H new ATOM 0 HG2 LYS A 25 14.167 2.370 -3.471 1.00 35.03 H new ATOM 0 HG3 LYS A 25 14.419 2.549 -1.746 1.00 35.03 H new ATOM 0 HD2 LYS A 25 15.064 0.172 -1.556 1.00 63.13 H new ATOM 0 HD3 LYS A 25 14.715 -0.086 -3.254 1.00 63.13 H new ATOM 0 HE2 LYS A 25 17.128 0.182 -2.933 1.00 13.32 H new ATOM 0 HE3 LYS A 25 16.503 1.515 -3.884 1.00 13.32 H new ATOM 0 HZ1 LYS A 25 18.035 2.258 -2.170 1.00 2.23 H new ATOM 0 HZ2 LYS A 25 16.483 2.899 -1.911 1.00 2.23 H new ATOM 0 HZ3 LYS A 25 17.038 1.606 -0.960 1.00 2.23 H new ATOM 380 N PHE A 26 9.560 1.724 -1.338 1.00 53.24 N ATOM 381 CA PHE A 26 8.296 0.978 -1.310 1.00 13.41 C ATOM 382 C PHE A 26 7.390 1.332 -0.116 1.00 51.13 C ATOM 383 O PHE A 26 7.803 1.989 0.841 1.00 35.01 O ATOM 384 CB PHE A 26 8.588 -0.531 -1.294 1.00 21.22 C ATOM 385 CG PHE A 26 9.411 -0.992 -0.109 1.00 31.35 C ATOM 386 CD1 PHE A 26 8.800 -1.363 1.084 1.00 40.24 C ATOM 387 CD2 PHE A 26 10.794 -1.056 -0.191 1.00 44.02 C ATOM 388 CE1 PHE A 26 9.551 -1.787 2.165 1.00 45.13 C ATOM 389 CE2 PHE A 26 11.549 -1.480 0.887 1.00 2.53 C ATOM 390 CZ PHE A 26 10.927 -1.845 2.065 1.00 74.03 C ATOM 0 H PHE A 26 9.861 2.092 -0.435 1.00 53.24 H new ATOM 0 HA PHE A 26 7.753 1.264 -2.210 1.00 13.41 H new ATOM 0 HB2 PHE A 26 7.642 -1.073 -1.298 1.00 21.22 H new ATOM 0 HB3 PHE A 26 9.112 -0.798 -2.212 1.00 21.22 H new ATOM 0 HD1 PHE A 26 7.724 -1.319 1.167 1.00 40.24 H new ATOM 0 HD2 PHE A 26 11.287 -0.771 -1.108 1.00 44.02 H new ATOM 0 HE1 PHE A 26 9.063 -2.072 3.085 1.00 45.13 H new ATOM 0 HE2 PHE A 26 12.625 -1.526 0.808 1.00 2.53 H new ATOM 0 HZ PHE A 26 11.517 -2.176 2.907 1.00 74.03 H new ATOM 400 N ILE A 27 6.138 0.881 -0.207 1.00 14.52 N ATOM 401 CA ILE A 27 5.174 0.935 0.900 1.00 12.03 C ATOM 402 C ILE A 27 4.585 -0.468 1.132 1.00 72.44 C ATOM 403 O ILE A 27 3.847 -0.979 0.293 1.00 12.54 O ATOM 404 CB ILE A 27 4.013 1.923 0.600 1.00 32.04 C ATOM 405 CG1 ILE A 27 4.561 3.330 0.310 1.00 14.52 C ATOM 406 CG2 ILE A 27 3.017 1.958 1.763 1.00 32.24 C ATOM 407 CD1 ILE A 27 3.497 4.334 -0.085 1.00 14.53 C ATOM 0 H ILE A 27 5.759 0.464 -1.057 1.00 14.52 H new ATOM 0 HA ILE A 27 5.702 1.283 1.788 1.00 12.03 H new ATOM 0 HB ILE A 27 3.486 1.572 -0.287 1.00 32.04 H new ATOM 0 HG12 ILE A 27 5.081 3.696 1.195 1.00 14.52 H new ATOM 0 HG13 ILE A 27 5.299 3.264 -0.489 1.00 14.52 H new ATOM 0 HG21 ILE A 27 2.212 2.656 1.532 1.00 32.24 H new ATOM 0 HG22 ILE A 27 2.601 0.962 1.916 1.00 32.24 H new ATOM 0 HG23 ILE A 27 3.528 2.281 2.670 1.00 32.24 H new ATOM 0 HD11 ILE A 27 3.962 5.302 -0.273 1.00 14.53 H new ATOM 0 HD12 ILE A 27 2.992 3.992 -0.988 1.00 14.53 H new ATOM 0 HD13 ILE A 27 2.771 4.431 0.722 1.00 14.53 H new ATOM 419 N ARG A 28 4.919 -1.103 2.253 1.00 35.13 N ATOM 420 CA ARG A 28 4.489 -2.490 2.487 1.00 43.15 C ATOM 421 C ARG A 28 3.161 -2.569 3.258 1.00 33.23 C ATOM 422 O ARG A 28 3.054 -2.115 4.400 1.00 52.05 O ATOM 423 CB ARG A 28 5.584 -3.276 3.225 1.00 33.05 C ATOM 424 CG ARG A 28 5.266 -4.764 3.382 1.00 30.41 C ATOM 425 CD ARG A 28 6.470 -5.558 3.882 1.00 70.50 C ATOM 426 NE ARG A 28 6.934 -5.108 5.191 1.00 31.43 N ATOM 427 CZ ARG A 28 8.136 -5.322 5.652 1.00 52.31 C ATOM 428 NH1 ARG A 28 8.995 -6.001 4.962 1.00 53.01 N ATOM 429 NH2 ARG A 28 8.471 -4.869 6.812 1.00 30.12 N ATOM 0 H ARG A 28 5.475 -0.694 3.004 1.00 35.13 H new ATOM 0 HA ARG A 28 4.321 -2.942 1.509 1.00 43.15 H new ATOM 0 HB2 ARG A 28 6.524 -3.169 2.684 1.00 33.05 H new ATOM 0 HB3 ARG A 28 5.732 -2.838 4.212 1.00 33.05 H new ATOM 0 HG2 ARG A 28 4.437 -4.886 4.079 1.00 30.41 H new ATOM 0 HG3 ARG A 28 4.939 -5.168 2.424 1.00 30.41 H new ATOM 0 HD2 ARG A 28 6.207 -6.614 3.937 1.00 70.50 H new ATOM 0 HD3 ARG A 28 7.284 -5.470 3.162 1.00 70.50 H new ATOM 0 HE ARG A 28 6.279 -4.595 5.781 1.00 31.43 H new ATOM 0 HH11 ARG A 28 8.735 -6.374 4.049 1.00 53.01 H new ATOM 0 HH12 ARG A 28 9.932 -6.163 5.331 1.00 53.01 H new ATOM 0 HH21 ARG A 28 7.797 -4.344 7.369 1.00 30.12 H new ATOM 0 HH22 ARG A 28 9.410 -5.036 7.173 1.00 30.12 H new ATOM 443 N LEU A 29 2.147 -3.139 2.611 1.00 20.40 N ATOM 444 CA LEU A 29 0.856 -3.408 3.254 1.00 21.21 C ATOM 445 C LEU A 29 0.768 -4.883 3.674 1.00 64.12 C ATOM 446 O LEU A 29 1.475 -5.735 3.139 1.00 40.43 O ATOM 447 CB LEU A 29 -0.315 -3.069 2.309 1.00 71.15 C ATOM 448 CG LEU A 29 -0.529 -1.574 1.992 1.00 52.32 C ATOM 449 CD1 LEU A 29 0.634 -0.997 1.192 1.00 1.43 C ATOM 450 CD2 LEU A 29 -1.844 -1.369 1.245 1.00 51.45 C ATOM 0 H LEU A 29 2.192 -3.427 1.634 1.00 20.40 H new ATOM 0 HA LEU A 29 0.784 -2.775 4.138 1.00 21.21 H new ATOM 0 HB2 LEU A 29 -0.160 -3.599 1.369 1.00 71.15 H new ATOM 0 HB3 LEU A 29 -1.233 -3.460 2.748 1.00 71.15 H new ATOM 0 HG LEU A 29 -0.576 -1.039 2.941 1.00 52.32 H new ATOM 0 HD11 LEU A 29 0.448 0.057 0.988 1.00 1.43 H new ATOM 0 HD12 LEU A 29 1.556 -1.098 1.765 1.00 1.43 H new ATOM 0 HD13 LEU A 29 0.731 -1.537 0.250 1.00 1.43 H new ATOM 0 HD21 LEU A 29 -1.979 -0.309 1.030 1.00 51.45 H new ATOM 0 HD22 LEU A 29 -1.823 -1.929 0.310 1.00 51.45 H new ATOM 0 HD23 LEU A 29 -2.671 -1.722 1.861 1.00 51.45 H new ATOM 462 N LYS A 30 -0.104 -5.189 4.626 1.00 2.13 N ATOM 463 CA LYS A 30 -0.273 -6.568 5.095 1.00 63.41 C ATOM 464 C LYS A 30 -1.731 -7.030 4.970 1.00 32.43 C ATOM 465 O LYS A 30 -2.627 -6.471 5.606 1.00 45.01 O ATOM 466 CB LYS A 30 0.195 -6.702 6.552 1.00 55.30 C ATOM 467 CG LYS A 30 0.158 -8.137 7.076 1.00 25.42 C ATOM 468 CD LYS A 30 0.679 -8.237 8.508 1.00 63.43 C ATOM 469 CE LYS A 30 0.699 -9.680 9.009 1.00 61.12 C ATOM 470 NZ LYS A 30 -0.658 -10.282 9.020 1.00 24.14 N ATOM 0 H LYS A 30 -0.705 -4.508 5.090 1.00 2.13 H new ATOM 0 HA LYS A 30 0.341 -7.208 4.461 1.00 63.41 H new ATOM 0 HB2 LYS A 30 1.212 -6.320 6.635 1.00 55.30 H new ATOM 0 HB3 LYS A 30 -0.433 -6.076 7.186 1.00 55.30 H new ATOM 0 HG2 LYS A 30 -0.865 -8.511 7.035 1.00 25.42 H new ATOM 0 HG3 LYS A 30 0.757 -8.776 6.427 1.00 25.42 H new ATOM 0 HD2 LYS A 30 1.686 -7.822 8.558 1.00 63.43 H new ATOM 0 HD3 LYS A 30 0.053 -7.634 9.165 1.00 63.43 H new ATOM 0 HE2 LYS A 30 1.355 -10.275 8.374 1.00 61.12 H new ATOM 0 HE3 LYS A 30 1.117 -9.709 10.015 1.00 61.12 H new ATOM 0 HZ1 LYS A 30 -0.630 -11.193 9.521 1.00 24.14 H new ATOM 0 HZ2 LYS A 30 -1.318 -9.641 9.505 1.00 24.14 H new ATOM 0 HZ3 LYS A 30 -0.978 -10.434 8.042 1.00 24.14 H new ATOM 484 N ASN A 31 -1.964 -8.045 4.144 1.00 61.42 N ATOM 485 CA ASN A 31 -3.296 -8.634 4.003 1.00 40.34 C ATOM 486 C ASN A 31 -3.686 -9.390 5.283 1.00 41.41 C ATOM 487 O ASN A 31 -3.147 -10.458 5.581 1.00 10.44 O ATOM 488 CB ASN A 31 -3.334 -9.556 2.780 1.00 32.43 C ATOM 489 CG ASN A 31 -4.619 -10.354 2.685 1.00 62.30 C ATOM 490 OD1 ASN A 31 -5.615 -9.907 2.130 1.00 73.24 O ATOM 491 ND2 ASN A 31 -4.596 -11.552 3.225 1.00 70.23 N ATOM 0 H ASN A 31 -1.249 -8.479 3.561 1.00 61.42 H new ATOM 0 HA ASN A 31 -4.024 -7.837 3.852 1.00 40.34 H new ATOM 0 HB2 ASN A 31 -3.215 -8.958 1.876 1.00 32.43 H new ATOM 0 HB3 ASN A 31 -2.488 -10.242 2.822 1.00 32.43 H new ATOM 0 HD21 ASN A 31 -5.426 -12.143 3.190 1.00 70.23 H new ATOM 0 HD22 ASN A 31 -3.748 -11.891 3.679 1.00 70.23 H new ATOM 498 N THR A 32 -4.622 -8.824 6.035 1.00 72.55 N ATOM 499 CA THR A 32 -5.002 -9.358 7.349 1.00 23.31 C ATOM 500 C THR A 32 -6.241 -10.260 7.277 1.00 73.42 C ATOM 501 O THR A 32 -6.880 -10.529 8.295 1.00 73.41 O ATOM 502 CB THR A 32 -5.273 -8.208 8.355 1.00 50.14 C ATOM 503 OG1 THR A 32 -6.286 -7.327 7.843 1.00 44.22 O ATOM 504 CG2 THR A 32 -4.001 -7.410 8.630 1.00 25.10 C ATOM 0 H THR A 32 -5.139 -7.989 5.760 1.00 72.55 H new ATOM 0 HA THR A 32 -4.160 -9.960 7.691 1.00 23.31 H new ATOM 0 HB THR A 32 -5.616 -8.655 9.288 1.00 50.14 H new ATOM 0 HG1 THR A 32 -6.109 -6.413 8.148 1.00 44.22 H new ATOM 0 HG21 THR A 32 -4.219 -6.610 9.338 1.00 25.10 H new ATOM 0 HG22 THR A 32 -3.241 -8.069 9.050 1.00 25.10 H new ATOM 0 HG23 THR A 32 -3.633 -6.980 7.699 1.00 25.10 H new ATOM 512 N SER A 33 -6.577 -10.740 6.079 1.00 64.23 N ATOM 513 CA SER A 33 -7.737 -11.624 5.902 1.00 62.02 C ATOM 514 C SER A 33 -7.480 -13.022 6.483 1.00 12.13 C ATOM 515 O SER A 33 -6.336 -13.421 6.717 1.00 73.21 O ATOM 516 CB SER A 33 -8.117 -11.744 4.418 1.00 65.33 C ATOM 517 OG SER A 33 -7.117 -12.424 3.681 1.00 2.02 O ATOM 0 H SER A 33 -6.068 -10.535 5.219 1.00 64.23 H new ATOM 0 HA SER A 33 -8.566 -11.172 6.447 1.00 62.02 H new ATOM 0 HB2 SER A 33 -9.064 -12.276 4.325 1.00 65.33 H new ATOM 0 HB3 SER A 33 -8.267 -10.749 3.998 1.00 65.33 H new ATOM 0 HG SER A 33 -7.534 -13.110 3.119 1.00 2.02 H new ATOM 523 N GLU A 34 -8.559 -13.760 6.713 1.00 11.10 N ATOM 524 CA GLU A 34 -8.483 -15.105 7.294 1.00 31.42 C ATOM 525 C GLU A 34 -8.244 -16.166 6.208 1.00 20.31 C ATOM 526 O GLU A 34 -7.801 -17.280 6.491 1.00 62.15 O ATOM 527 CB GLU A 34 -9.787 -15.388 8.045 1.00 44.01 C ATOM 528 CG GLU A 34 -10.103 -14.337 9.107 1.00 14.53 C ATOM 529 CD GLU A 34 -11.553 -14.367 9.557 1.00 72.11 C ATOM 530 OE1 GLU A 34 -12.389 -13.693 8.918 1.00 51.34 O ATOM 531 OE2 GLU A 34 -11.861 -15.051 10.556 1.00 70.52 O ATOM 0 H GLU A 34 -9.508 -13.450 6.505 1.00 11.10 H new ATOM 0 HA GLU A 34 -7.640 -15.152 7.984 1.00 31.42 H new ATOM 0 HB2 GLU A 34 -10.609 -15.433 7.331 1.00 44.01 H new ATOM 0 HB3 GLU A 34 -9.722 -16.367 8.519 1.00 44.01 H new ATOM 0 HG2 GLU A 34 -9.457 -14.495 9.970 1.00 14.53 H new ATOM 0 HG3 GLU A 34 -9.871 -13.348 8.712 1.00 14.53 H new ATOM 538 N GLN A 35 -8.541 -15.801 4.964 1.00 62.30 N ATOM 539 CA GLN A 35 -8.356 -16.689 3.815 1.00 63.22 C ATOM 540 C GLN A 35 -7.857 -15.897 2.594 1.00 45.34 C ATOM 541 O GLN A 35 -8.035 -14.680 2.527 1.00 2.41 O ATOM 542 CB GLN A 35 -9.681 -17.394 3.489 1.00 24.14 C ATOM 543 CG GLN A 35 -9.574 -18.447 2.387 1.00 32.01 C ATOM 544 CD GLN A 35 -10.905 -19.109 2.069 1.00 12.32 C ATOM 545 OE1 GLN A 35 -11.770 -19.245 2.927 1.00 55.14 O ATOM 546 NE2 GLN A 35 -11.076 -19.538 0.837 1.00 31.13 N ATOM 0 H GLN A 35 -8.916 -14.884 4.722 1.00 62.30 H new ATOM 0 HA GLN A 35 -7.604 -17.438 4.065 1.00 63.22 H new ATOM 0 HB2 GLN A 35 -10.060 -17.868 4.394 1.00 24.14 H new ATOM 0 HB3 GLN A 35 -10.415 -16.645 3.191 1.00 24.14 H new ATOM 0 HG2 GLN A 35 -9.181 -17.981 1.483 1.00 32.01 H new ATOM 0 HG3 GLN A 35 -8.857 -19.211 2.690 1.00 32.01 H new ATOM 0 HE21 GLN A 35 -10.337 -19.410 0.145 1.00 31.13 H new ATOM 0 HE22 GLN A 35 -11.947 -19.998 0.574 1.00 31.13 H new ATOM 555 N ASP A 36 -7.231 -16.595 1.641 1.00 24.13 N ATOM 556 CA ASP A 36 -6.699 -15.974 0.418 1.00 15.41 C ATOM 557 C ASP A 36 -7.724 -15.039 -0.265 1.00 44.13 C ATOM 558 O ASP A 36 -8.902 -15.376 -0.399 1.00 32.34 O ATOM 559 CB ASP A 36 -6.250 -17.069 -0.559 1.00 75.43 C ATOM 560 CG ASP A 36 -5.101 -17.901 -0.018 1.00 40.14 C ATOM 561 OD1 ASP A 36 -5.291 -18.594 1.004 1.00 35.31 O ATOM 562 OD2 ASP A 36 -4.005 -17.880 -0.622 1.00 22.15 O ATOM 0 H ASP A 36 -7.078 -17.602 1.693 1.00 24.13 H new ATOM 0 HA ASP A 36 -5.848 -15.357 0.705 1.00 15.41 H new ATOM 0 HB2 ASP A 36 -7.094 -17.722 -0.779 1.00 75.43 H new ATOM 0 HB3 ASP A 36 -5.949 -16.609 -1.500 1.00 75.43 H new ATOM 567 N GLN A 37 -7.256 -13.862 -0.690 1.00 23.03 N ATOM 568 CA GLN A 37 -8.115 -12.843 -1.317 1.00 55.13 C ATOM 569 C GLN A 37 -7.458 -12.258 -2.585 1.00 3.00 C ATOM 570 O GLN A 37 -6.293 -11.871 -2.561 1.00 23.43 O ATOM 571 CB GLN A 37 -8.400 -11.703 -0.320 1.00 62.30 C ATOM 572 CG GLN A 37 -9.262 -12.110 0.874 1.00 61.32 C ATOM 573 CD GLN A 37 -10.724 -12.298 0.508 1.00 60.51 C ATOM 574 OE1 GLN A 37 -11.522 -11.368 0.602 1.00 61.30 O ATOM 575 NE2 GLN A 37 -11.089 -13.490 0.079 1.00 53.33 N ATOM 0 H GLN A 37 -6.277 -13.586 -0.612 1.00 23.03 H new ATOM 0 HA GLN A 37 -9.049 -13.327 -1.602 1.00 55.13 H new ATOM 0 HB2 GLN A 37 -7.451 -11.313 0.048 1.00 62.30 H new ATOM 0 HB3 GLN A 37 -8.895 -10.889 -0.849 1.00 62.30 H new ATOM 0 HG2 GLN A 37 -8.876 -13.038 1.296 1.00 61.32 H new ATOM 0 HG3 GLN A 37 -9.182 -11.349 1.650 1.00 61.32 H new ATOM 0 HE21 GLN A 37 -10.402 -14.241 0.013 1.00 53.33 H new ATOM 0 HE22 GLN A 37 -12.059 -13.662 -0.187 1.00 53.33 H new ATOM 584 N PRO A 38 -8.204 -12.159 -3.708 1.00 42.02 N ATOM 585 CA PRO A 38 -7.688 -11.561 -4.962 1.00 71.11 C ATOM 586 C PRO A 38 -7.560 -10.019 -4.902 1.00 42.40 C ATOM 587 O PRO A 38 -7.519 -9.351 -5.941 1.00 63.22 O ATOM 588 CB PRO A 38 -8.744 -11.980 -5.997 1.00 3.43 C ATOM 589 CG PRO A 38 -10.005 -12.110 -5.207 1.00 55.30 C ATOM 590 CD PRO A 38 -9.592 -12.641 -3.857 1.00 51.53 C ATOM 0 HA PRO A 38 -6.677 -11.900 -5.186 1.00 71.11 H new ATOM 0 HB2 PRO A 38 -8.844 -11.235 -6.787 1.00 3.43 H new ATOM 0 HB3 PRO A 38 -8.478 -12.921 -6.478 1.00 3.43 H new ATOM 0 HG2 PRO A 38 -10.507 -11.147 -5.111 1.00 55.30 H new ATOM 0 HG3 PRO A 38 -10.705 -12.788 -5.696 1.00 55.30 H new ATOM 0 HD2 PRO A 38 -10.236 -12.263 -3.063 1.00 51.53 H new ATOM 0 HD3 PRO A 38 -9.645 -13.729 -3.820 1.00 51.53 H new ATOM 598 N MET A 39 -7.487 -9.475 -3.682 1.00 71.40 N ATOM 599 CA MET A 39 -7.327 -8.030 -3.445 1.00 15.11 C ATOM 600 C MET A 39 -8.531 -7.214 -3.966 1.00 25.41 C ATOM 601 O MET A 39 -9.406 -6.819 -3.192 1.00 63.55 O ATOM 602 CB MET A 39 -6.014 -7.520 -4.068 1.00 22.13 C ATOM 603 CG MET A 39 -5.607 -6.132 -3.588 1.00 43.05 C ATOM 604 SD MET A 39 -5.345 -6.076 -1.806 1.00 55.45 S ATOM 605 CE MET A 39 -4.865 -4.368 -1.575 1.00 54.33 C ATOM 0 H MET A 39 -7.537 -10.025 -2.825 1.00 71.40 H new ATOM 0 HA MET A 39 -7.285 -7.884 -2.366 1.00 15.11 H new ATOM 0 HB2 MET A 39 -5.215 -8.224 -3.836 1.00 22.13 H new ATOM 0 HB3 MET A 39 -6.119 -7.503 -5.153 1.00 22.13 H new ATOM 0 HG2 MET A 39 -4.693 -5.827 -4.097 1.00 43.05 H new ATOM 0 HG3 MET A 39 -6.380 -5.414 -3.862 1.00 43.05 H new ATOM 0 HE1 MET A 39 -5.063 -4.071 -0.545 1.00 54.33 H new ATOM 0 HE2 MET A 39 -3.802 -4.257 -1.787 1.00 54.33 H new ATOM 0 HE3 MET A 39 -5.438 -3.734 -2.252 1.00 54.33 H new ATOM 615 N GLY A 40 -8.577 -6.978 -5.277 1.00 32.54 N ATOM 616 CA GLY A 40 -9.662 -6.197 -5.871 1.00 32.33 C ATOM 617 C GLY A 40 -9.256 -4.773 -6.257 1.00 51.45 C ATOM 618 O GLY A 40 -8.074 -4.419 -6.229 1.00 52.12 O ATOM 0 H GLY A 40 -7.882 -7.313 -5.944 1.00 32.54 H new ATOM 0 HA2 GLY A 40 -10.026 -6.714 -6.758 1.00 32.33 H new ATOM 0 HA3 GLY A 40 -10.492 -6.150 -5.166 1.00 32.33 H new ATOM 622 N GLY A 41 -10.242 -3.953 -6.619 1.00 43.43 N ATOM 623 CA GLY A 41 -9.973 -2.577 -7.029 1.00 5.21 C ATOM 624 C GLY A 41 -9.891 -1.600 -5.857 1.00 70.13 C ATOM 625 O GLY A 41 -10.894 -1.010 -5.454 1.00 15.31 O ATOM 0 H GLY A 41 -11.227 -4.216 -6.637 1.00 43.43 H new ATOM 0 HA2 GLY A 41 -9.035 -2.548 -7.583 1.00 5.21 H new ATOM 0 HA3 GLY A 41 -10.757 -2.249 -7.712 1.00 5.21 H new ATOM 629 N TRP A 42 -8.696 -1.443 -5.295 1.00 25.14 N ATOM 630 CA TRP A 42 -8.461 -0.484 -4.200 1.00 61.14 C ATOM 631 C TRP A 42 -7.856 0.826 -4.728 1.00 0.44 C ATOM 632 O TRP A 42 -7.152 0.831 -5.738 1.00 73.04 O ATOM 633 CB TRP A 42 -7.495 -1.083 -3.164 1.00 51.45 C ATOM 634 CG TRP A 42 -8.003 -2.303 -2.453 1.00 0.30 C ATOM 635 CD1 TRP A 42 -8.540 -3.423 -3.016 1.00 4.13 C ATOM 636 CD2 TRP A 42 -7.986 -2.534 -1.042 1.00 54.02 C ATOM 637 NE1 TRP A 42 -8.866 -4.330 -2.040 1.00 75.31 N ATOM 638 CE2 TRP A 42 -8.535 -3.808 -0.818 1.00 2.15 C ATOM 639 CE3 TRP A 42 -7.560 -1.781 0.053 1.00 10.51 C ATOM 640 CZ2 TRP A 42 -8.668 -4.346 0.457 1.00 60.13 C ATOM 641 CZ3 TRP A 42 -7.693 -2.314 1.319 1.00 63.32 C ATOM 642 CH2 TRP A 42 -8.243 -3.586 1.513 1.00 12.10 C ATOM 0 H TRP A 42 -7.867 -1.966 -5.576 1.00 25.14 H new ATOM 0 HA TRP A 42 -9.426 -0.274 -3.738 1.00 61.14 H new ATOM 0 HB2 TRP A 42 -6.560 -1.336 -3.665 1.00 51.45 H new ATOM 0 HB3 TRP A 42 -7.263 -0.319 -2.422 1.00 51.45 H new ATOM 0 HD1 TRP A 42 -8.687 -3.574 -4.075 1.00 4.13 H new ATOM 0 HE1 TRP A 42 -9.287 -5.245 -2.199 1.00 75.31 H new ATOM 0 HE3 TRP A 42 -7.134 -0.799 -0.088 1.00 10.51 H new ATOM 0 HZ2 TRP A 42 -9.091 -5.328 0.609 1.00 60.13 H new ATOM 0 HZ3 TRP A 42 -7.367 -1.740 2.174 1.00 63.32 H new ATOM 0 HH2 TRP A 42 -8.334 -3.976 2.516 1.00 12.10 H new ATOM 653 N GLU A 43 -8.127 1.933 -4.041 1.00 1.05 N ATOM 654 CA GLU A 43 -7.436 3.196 -4.318 1.00 52.34 C ATOM 655 C GLU A 43 -6.619 3.628 -3.091 1.00 12.23 C ATOM 656 O GLU A 43 -7.175 3.907 -2.027 1.00 44.21 O ATOM 657 CB GLU A 43 -8.428 4.304 -4.722 1.00 20.14 C ATOM 658 CG GLU A 43 -7.749 5.633 -5.058 1.00 23.11 C ATOM 659 CD GLU A 43 -8.713 6.692 -5.579 1.00 20.43 C ATOM 660 OE1 GLU A 43 -9.370 7.372 -4.760 1.00 13.02 O ATOM 661 OE2 GLU A 43 -8.805 6.861 -6.815 1.00 34.13 O ATOM 0 H GLU A 43 -8.817 1.984 -3.291 1.00 1.05 H new ATOM 0 HA GLU A 43 -6.761 3.035 -5.158 1.00 52.34 H new ATOM 0 HB2 GLU A 43 -9.003 3.970 -5.585 1.00 20.14 H new ATOM 0 HB3 GLU A 43 -9.136 4.462 -3.909 1.00 20.14 H new ATOM 0 HG2 GLU A 43 -7.251 6.013 -4.166 1.00 23.11 H new ATOM 0 HG3 GLU A 43 -6.975 5.458 -5.805 1.00 23.11 H new ATOM 668 N MET A 44 -5.295 3.645 -3.236 1.00 34.31 N ATOM 669 CA MET A 44 -4.397 4.037 -2.143 1.00 32.10 C ATOM 670 C MET A 44 -3.959 5.504 -2.286 1.00 51.03 C ATOM 671 O MET A 44 -3.173 5.842 -3.170 1.00 21.21 O ATOM 672 CB MET A 44 -3.171 3.112 -2.114 1.00 21.31 C ATOM 673 CG MET A 44 -2.188 3.424 -0.992 1.00 42.03 C ATOM 674 SD MET A 44 -0.831 2.240 -0.903 1.00 41.41 S ATOM 675 CE MET A 44 -0.077 2.449 -2.513 1.00 13.55 C ATOM 0 H MET A 44 -4.816 3.392 -4.100 1.00 34.31 H new ATOM 0 HA MET A 44 -4.939 3.940 -1.202 1.00 32.10 H new ATOM 0 HB2 MET A 44 -3.509 2.081 -2.012 1.00 21.31 H new ATOM 0 HB3 MET A 44 -2.651 3.184 -3.069 1.00 21.31 H new ATOM 0 HG2 MET A 44 -1.782 4.425 -1.139 1.00 42.03 H new ATOM 0 HG3 MET A 44 -2.720 3.432 -0.041 1.00 42.03 H new ATOM 0 HE1 MET A 44 1.005 2.523 -2.401 1.00 13.55 H new ATOM 0 HE2 MET A 44 -0.319 1.593 -3.142 1.00 13.55 H new ATOM 0 HE3 MET A 44 -0.457 3.359 -2.977 1.00 13.55 H new ATOM 685 N ILE A 45 -4.474 6.368 -1.412 1.00 52.23 N ATOM 686 CA ILE A 45 -4.179 7.808 -1.469 1.00 51.23 C ATOM 687 C ILE A 45 -3.046 8.188 -0.503 1.00 25.23 C ATOM 688 O ILE A 45 -3.228 8.176 0.712 1.00 71.21 O ATOM 689 CB ILE A 45 -5.425 8.673 -1.127 1.00 13.24 C ATOM 690 CG1 ILE A 45 -6.617 8.333 -2.044 1.00 31.30 C ATOM 691 CG2 ILE A 45 -5.090 10.164 -1.222 1.00 75.32 C ATOM 692 CD1 ILE A 45 -7.310 7.024 -1.713 1.00 43.23 C ATOM 0 H ILE A 45 -5.100 6.099 -0.652 1.00 52.23 H new ATOM 0 HA ILE A 45 -3.873 8.011 -2.495 1.00 51.23 H new ATOM 0 HB ILE A 45 -5.714 8.443 -0.102 1.00 13.24 H new ATOM 0 HG12 ILE A 45 -7.346 9.141 -1.986 1.00 31.30 H new ATOM 0 HG13 ILE A 45 -6.267 8.294 -3.075 1.00 31.30 H new ATOM 0 HG21 ILE A 45 -5.975 10.752 -0.979 1.00 75.32 H new ATOM 0 HG22 ILE A 45 -4.292 10.403 -0.520 1.00 75.32 H new ATOM 0 HG23 ILE A 45 -4.765 10.400 -2.235 1.00 75.32 H new ATOM 0 HD11 ILE A 45 -8.135 6.864 -2.407 1.00 43.23 H new ATOM 0 HD12 ILE A 45 -6.598 6.203 -1.800 1.00 43.23 H new ATOM 0 HD13 ILE A 45 -7.695 7.064 -0.694 1.00 43.23 H new ATOM 704 N ARG A 46 -1.878 8.520 -1.042 1.00 4.43 N ATOM 705 CA ARG A 46 -0.739 8.929 -0.214 1.00 53.20 C ATOM 706 C ARG A 46 -0.604 10.463 -0.183 1.00 63.11 C ATOM 707 O ARG A 46 -0.103 11.071 -1.134 1.00 51.13 O ATOM 708 CB ARG A 46 0.558 8.302 -0.755 1.00 74.23 C ATOM 709 CG ARG A 46 1.758 8.450 0.180 1.00 51.42 C ATOM 710 CD ARG A 46 3.063 8.045 -0.502 1.00 11.22 C ATOM 711 NE ARG A 46 3.446 8.989 -1.553 1.00 13.31 N ATOM 712 CZ ARG A 46 4.093 8.666 -2.642 1.00 63.30 C ATOM 713 NH1 ARG A 46 4.436 7.438 -2.866 1.00 40.32 N ATOM 714 NH2 ARG A 46 4.393 9.579 -3.507 1.00 0.53 N ATOM 0 H ARG A 46 -1.691 8.515 -2.045 1.00 4.43 H new ATOM 0 HA ARG A 46 -0.913 8.578 0.803 1.00 53.20 H new ATOM 0 HB2 ARG A 46 0.386 7.242 -0.943 1.00 74.23 H new ATOM 0 HB3 ARG A 46 0.799 8.761 -1.714 1.00 74.23 H new ATOM 0 HG2 ARG A 46 1.830 9.484 0.518 1.00 51.42 H new ATOM 0 HG3 ARG A 46 1.606 7.835 1.067 1.00 51.42 H new ATOM 0 HD2 ARG A 46 3.858 7.987 0.241 1.00 11.22 H new ATOM 0 HD3 ARG A 46 2.954 7.049 -0.931 1.00 11.22 H new ATOM 0 HE ARG A 46 3.190 9.968 -1.427 1.00 13.31 H new ATOM 0 HH11 ARG A 46 4.202 6.712 -2.189 1.00 40.32 H new ATOM 0 HH12 ARG A 46 4.941 7.197 -3.719 1.00 40.32 H new ATOM 0 HH21 ARG A 46 4.125 10.549 -3.339 1.00 0.53 H new ATOM 0 HH22 ARG A 46 4.898 9.330 -4.358 1.00 0.53 H new ATOM 728 N LYS A 47 -1.059 11.091 0.901 1.00 14.14 N ATOM 729 CA LYS A 47 -0.953 12.550 1.041 1.00 24.01 C ATOM 730 C LYS A 47 0.443 12.955 1.536 1.00 72.13 C ATOM 731 O LYS A 47 0.668 13.124 2.737 1.00 63.52 O ATOM 732 CB LYS A 47 -2.033 13.095 1.990 1.00 11.23 C ATOM 733 CG LYS A 47 -3.462 12.792 1.544 1.00 14.10 C ATOM 734 CD LYS A 47 -4.513 13.469 2.434 1.00 43.35 C ATOM 735 CE LYS A 47 -4.704 14.956 2.110 1.00 30.11 C ATOM 736 NZ LYS A 47 -3.466 15.761 2.296 1.00 33.11 N ATOM 0 H LYS A 47 -1.501 10.621 1.691 1.00 14.14 H new ATOM 0 HA LYS A 47 -1.110 12.987 0.055 1.00 24.01 H new ATOM 0 HB2 LYS A 47 -1.876 12.673 2.983 1.00 11.23 H new ATOM 0 HB3 LYS A 47 -1.912 14.175 2.079 1.00 11.23 H new ATOM 0 HG2 LYS A 47 -3.595 13.123 0.514 1.00 14.10 H new ATOM 0 HG3 LYS A 47 -3.622 11.714 1.555 1.00 14.10 H new ATOM 0 HD2 LYS A 47 -5.466 12.952 2.319 1.00 43.35 H new ATOM 0 HD3 LYS A 47 -4.218 13.365 3.478 1.00 43.35 H new ATOM 0 HE2 LYS A 47 -5.043 15.056 1.079 1.00 30.11 H new ATOM 0 HE3 LYS A 47 -5.492 15.361 2.745 1.00 30.11 H new ATOM 0 HZ1 LYS A 47 -3.721 16.749 2.498 1.00 33.11 H new ATOM 0 HZ2 LYS A 47 -2.917 15.375 3.091 1.00 33.11 H new ATOM 0 HZ3 LYS A 47 -2.893 15.722 1.429 1.00 33.11 H new ATOM 750 N ILE A 48 1.379 13.085 0.600 1.00 32.44 N ATOM 751 CA ILE A 48 2.772 13.418 0.924 1.00 55.11 C ATOM 752 C ILE A 48 3.079 14.892 0.614 1.00 74.31 C ATOM 753 O ILE A 48 2.979 15.331 -0.532 1.00 4.20 O ATOM 754 CB ILE A 48 3.759 12.494 0.158 1.00 53.31 C ATOM 755 CG1 ILE A 48 5.216 12.892 0.450 1.00 64.31 C ATOM 756 CG2 ILE A 48 3.476 12.514 -1.345 1.00 12.51 C ATOM 757 CD1 ILE A 48 6.238 11.997 -0.217 1.00 43.41 C ATOM 0 H ILE A 48 1.201 12.965 -0.397 1.00 32.44 H new ATOM 0 HA ILE A 48 2.905 13.257 1.994 1.00 55.11 H new ATOM 0 HB ILE A 48 3.610 11.474 0.511 1.00 53.31 H new ATOM 0 HG12 ILE A 48 5.376 13.919 0.121 1.00 64.31 H new ATOM 0 HG13 ILE A 48 5.379 12.874 1.528 1.00 64.31 H new ATOM 0 HG21 ILE A 48 4.181 11.859 -1.857 1.00 12.51 H new ATOM 0 HG22 ILE A 48 2.459 12.167 -1.528 1.00 12.51 H new ATOM 0 HG23 ILE A 48 3.586 13.531 -1.722 1.00 12.51 H new ATOM 0 HD11 ILE A 48 7.242 12.340 0.035 1.00 43.41 H new ATOM 0 HD12 ILE A 48 6.106 10.972 0.131 1.00 43.41 H new ATOM 0 HD13 ILE A 48 6.103 12.033 -1.298 1.00 43.41 H new ATOM 769 N GLY A 49 3.451 15.652 1.642 1.00 23.34 N ATOM 770 CA GLY A 49 3.686 17.083 1.470 1.00 3.12 C ATOM 771 C GLY A 49 2.395 17.841 1.192 1.00 15.21 C ATOM 772 O GLY A 49 2.333 18.669 0.279 1.00 34.12 O ATOM 0 H GLY A 49 3.595 15.306 2.591 1.00 23.34 H new ATOM 0 HA2 GLY A 49 4.156 17.484 2.368 1.00 3.12 H new ATOM 0 HA3 GLY A 49 4.384 17.240 0.647 1.00 3.12 H new ATOM 776 N ASP A 50 1.362 17.535 1.983 1.00 4.03 N ATOM 777 CA ASP A 50 0.024 18.129 1.836 1.00 54.55 C ATOM 778 C ASP A 50 -0.726 17.566 0.609 1.00 65.12 C ATOM 779 O ASP A 50 -1.838 17.042 0.739 1.00 74.54 O ATOM 780 CB ASP A 50 0.106 19.660 1.771 1.00 24.45 C ATOM 781 CG ASP A 50 -1.261 20.307 1.684 1.00 3.35 C ATOM 782 OD1 ASP A 50 -1.895 20.515 2.738 1.00 71.42 O ATOM 783 OD2 ASP A 50 -1.708 20.616 0.561 1.00 40.22 O ATOM 0 H ASP A 50 1.428 16.864 2.749 1.00 4.03 H new ATOM 0 HA ASP A 50 -0.549 17.853 2.721 1.00 54.55 H new ATOM 0 HB2 ASP A 50 0.625 20.031 2.654 1.00 24.45 H new ATOM 0 HB3 ASP A 50 0.700 19.953 0.905 1.00 24.45 H new ATOM 788 N THR A 51 -0.123 17.678 -0.575 1.00 63.25 N ATOM 789 CA THR A 51 -0.732 17.158 -1.814 1.00 34.24 C ATOM 790 C THR A 51 -0.937 15.632 -1.754 1.00 40.34 C ATOM 791 O THR A 51 -0.324 14.938 -0.940 1.00 75.51 O ATOM 792 CB THR A 51 0.118 17.507 -3.063 1.00 35.25 C ATOM 793 OG1 THR A 51 -0.508 16.994 -4.251 1.00 23.24 O ATOM 794 CG2 THR A 51 1.530 16.940 -2.947 1.00 60.42 C ATOM 0 H THR A 51 0.785 18.122 -0.709 1.00 63.25 H new ATOM 0 HA THR A 51 -1.704 17.643 -1.900 1.00 34.24 H new ATOM 0 HB THR A 51 0.184 18.593 -3.126 1.00 35.25 H new ATOM 0 HG1 THR A 51 0.037 17.222 -5.033 1.00 23.24 H new ATOM 0 HG21 THR A 51 2.101 17.201 -3.838 1.00 60.42 H new ATOM 0 HG22 THR A 51 2.019 17.358 -2.067 1.00 60.42 H new ATOM 0 HG23 THR A 51 1.480 15.855 -2.853 1.00 60.42 H new ATOM 802 N SER A 52 -1.799 15.106 -2.621 1.00 33.34 N ATOM 803 CA SER A 52 -2.136 13.673 -2.605 1.00 12.15 C ATOM 804 C SER A 52 -1.877 13.004 -3.959 1.00 0.01 C ATOM 805 O SER A 52 -2.272 13.513 -5.010 1.00 11.42 O ATOM 806 CB SER A 52 -3.606 13.462 -2.209 1.00 61.03 C ATOM 807 OG SER A 52 -4.495 14.099 -3.120 1.00 60.43 O ATOM 0 H SER A 52 -2.279 15.643 -3.343 1.00 33.34 H new ATOM 0 HA SER A 52 -1.486 13.208 -1.864 1.00 12.15 H new ATOM 0 HB2 SER A 52 -3.824 12.395 -2.175 1.00 61.03 H new ATOM 0 HB3 SER A 52 -3.772 13.853 -1.205 1.00 61.03 H new ATOM 0 HG SER A 52 -5.420 13.942 -2.838 1.00 60.43 H new ATOM 813 N VAL A 53 -1.203 11.860 -3.921 1.00 52.44 N ATOM 814 CA VAL A 53 -1.004 11.027 -5.109 1.00 63.04 C ATOM 815 C VAL A 53 -1.525 9.603 -4.837 1.00 4.25 C ATOM 816 O VAL A 53 -1.261 9.027 -3.781 1.00 75.00 O ATOM 817 CB VAL A 53 0.491 10.993 -5.530 1.00 24.45 C ATOM 818 CG1 VAL A 53 1.363 10.395 -4.427 1.00 24.04 C ATOM 819 CG2 VAL A 53 0.670 10.244 -6.850 1.00 14.24 C ATOM 0 H VAL A 53 -0.780 11.483 -3.073 1.00 52.44 H new ATOM 0 HA VAL A 53 -1.567 11.462 -5.935 1.00 63.04 H new ATOM 0 HB VAL A 53 0.819 12.021 -5.684 1.00 24.45 H new ATOM 0 HG11 VAL A 53 2.404 10.385 -4.751 1.00 24.04 H new ATOM 0 HG12 VAL A 53 1.270 10.997 -3.523 1.00 24.04 H new ATOM 0 HG13 VAL A 53 1.038 9.376 -4.219 1.00 24.04 H new ATOM 0 HG21 VAL A 53 1.725 10.234 -7.123 1.00 14.24 H new ATOM 0 HG22 VAL A 53 0.315 9.220 -6.738 1.00 14.24 H new ATOM 0 HG23 VAL A 53 0.098 10.743 -7.632 1.00 14.24 H new ATOM 829 N SER A 54 -2.277 9.039 -5.781 1.00 33.51 N ATOM 830 CA SER A 54 -3.001 7.777 -5.539 1.00 64.33 C ATOM 831 C SER A 54 -2.586 6.649 -6.496 1.00 51.04 C ATOM 832 O SER A 54 -2.309 6.881 -7.673 1.00 23.43 O ATOM 833 CB SER A 54 -4.510 8.013 -5.667 1.00 24.32 C ATOM 834 OG SER A 54 -4.847 8.477 -6.968 1.00 51.15 O ATOM 0 H SER A 54 -2.405 9.427 -6.716 1.00 33.51 H new ATOM 0 HA SER A 54 -2.742 7.458 -4.530 1.00 64.33 H new ATOM 0 HB2 SER A 54 -5.045 7.087 -5.458 1.00 24.32 H new ATOM 0 HB3 SER A 54 -4.832 8.742 -4.923 1.00 24.32 H new ATOM 0 HG SER A 54 -5.815 8.618 -7.024 1.00 51.15 H new ATOM 840 N TYR A 55 -2.563 5.425 -5.970 1.00 11.35 N ATOM 841 CA TYR A 55 -2.294 4.216 -6.766 1.00 75.02 C ATOM 842 C TYR A 55 -3.536 3.311 -6.827 1.00 73.32 C ATOM 843 O TYR A 55 -4.089 2.933 -5.791 1.00 33.30 O ATOM 844 CB TYR A 55 -1.104 3.444 -6.166 1.00 74.43 C ATOM 845 CG TYR A 55 -0.901 2.047 -6.743 1.00 72.14 C ATOM 846 CD1 TYR A 55 -0.670 1.853 -8.103 1.00 21.22 C ATOM 847 CD2 TYR A 55 -0.929 0.923 -5.922 1.00 22.13 C ATOM 848 CE1 TYR A 55 -0.478 0.584 -8.623 1.00 65.11 C ATOM 849 CE2 TYR A 55 -0.737 -0.347 -6.437 1.00 30.04 C ATOM 850 CZ TYR A 55 -0.514 -0.512 -7.786 1.00 54.15 C ATOM 851 OH TYR A 55 -0.322 -1.778 -8.300 1.00 70.01 O ATOM 0 H TYR A 55 -2.730 5.238 -4.981 1.00 11.35 H new ATOM 0 HA TYR A 55 -2.046 4.522 -7.782 1.00 75.02 H new ATOM 0 HB2 TYR A 55 -0.195 4.024 -6.323 1.00 74.43 H new ATOM 0 HB3 TYR A 55 -1.247 3.361 -5.089 1.00 74.43 H new ATOM 0 HD1 TYR A 55 -0.640 2.707 -8.763 1.00 21.22 H new ATOM 0 HD2 TYR A 55 -1.104 1.045 -4.863 1.00 22.13 H new ATOM 0 HE1 TYR A 55 -0.301 0.453 -9.680 1.00 65.11 H new ATOM 0 HE2 TYR A 55 -0.762 -1.206 -5.783 1.00 30.04 H new ATOM 0 HH TYR A 55 0.265 -1.728 -9.083 1.00 70.01 H new ATOM 861 N LYS A 56 -3.971 2.968 -8.040 1.00 42.43 N ATOM 862 CA LYS A 56 -5.125 2.084 -8.226 1.00 54.15 C ATOM 863 C LYS A 56 -4.680 0.617 -8.360 1.00 24.34 C ATOM 864 O LYS A 56 -3.816 0.288 -9.172 1.00 22.12 O ATOM 865 CB LYS A 56 -5.929 2.493 -9.470 1.00 63.13 C ATOM 866 CG LYS A 56 -7.217 1.690 -9.650 1.00 43.05 C ATOM 867 CD LYS A 56 -7.895 1.963 -10.995 1.00 54.13 C ATOM 868 CE LYS A 56 -7.023 1.526 -12.168 1.00 22.42 C ATOM 869 NZ LYS A 56 -7.747 1.595 -13.467 1.00 51.45 N ATOM 0 H LYS A 56 -3.543 3.288 -8.909 1.00 42.43 H new ATOM 0 HA LYS A 56 -5.759 2.180 -7.344 1.00 54.15 H new ATOM 0 HB2 LYS A 56 -6.176 3.552 -9.402 1.00 63.13 H new ATOM 0 HB3 LYS A 56 -5.305 2.368 -10.355 1.00 63.13 H new ATOM 0 HG2 LYS A 56 -6.993 0.626 -9.569 1.00 43.05 H new ATOM 0 HG3 LYS A 56 -7.908 1.932 -8.843 1.00 43.05 H new ATOM 0 HD2 LYS A 56 -8.849 1.436 -11.035 1.00 54.13 H new ATOM 0 HD3 LYS A 56 -8.115 3.027 -11.082 1.00 54.13 H new ATOM 0 HE2 LYS A 56 -6.137 2.159 -12.215 1.00 22.42 H new ATOM 0 HE3 LYS A 56 -6.678 0.506 -12.001 1.00 22.42 H new ATOM 0 HZ1 LYS A 56 -7.114 1.289 -14.234 1.00 51.45 H new ATOM 0 HZ2 LYS A 56 -8.579 0.971 -13.434 1.00 51.45 H new ATOM 0 HZ3 LYS A 56 -8.054 2.573 -13.642 1.00 51.45 H new ATOM 883 N TYR A 57 -5.286 -0.258 -7.566 1.00 43.14 N ATOM 884 CA TYR A 57 -4.956 -1.685 -7.586 1.00 72.41 C ATOM 885 C TYR A 57 -5.726 -2.431 -8.688 1.00 3.23 C ATOM 886 O TYR A 57 -6.695 -1.916 -9.251 1.00 30.42 O ATOM 887 CB TYR A 57 -5.257 -2.312 -6.217 1.00 72.42 C ATOM 888 CG TYR A 57 -4.337 -1.837 -5.106 1.00 3.02 C ATOM 889 CD1 TYR A 57 -4.393 -0.530 -4.635 1.00 32.31 C ATOM 890 CD2 TYR A 57 -3.409 -2.696 -4.532 1.00 70.31 C ATOM 891 CE1 TYR A 57 -3.554 -0.098 -3.627 1.00 35.12 C ATOM 892 CE2 TYR A 57 -2.566 -2.272 -3.523 1.00 15.40 C ATOM 893 CZ TYR A 57 -2.642 -0.974 -3.074 1.00 22.33 C ATOM 894 OH TYR A 57 -1.797 -0.548 -2.075 1.00 14.23 O ATOM 0 H TYR A 57 -6.013 -0.006 -6.896 1.00 43.14 H new ATOM 0 HA TYR A 57 -3.892 -1.778 -7.803 1.00 72.41 H new ATOM 0 HB2 TYR A 57 -6.288 -2.086 -5.943 1.00 72.42 H new ATOM 0 HB3 TYR A 57 -5.180 -3.396 -6.300 1.00 72.42 H new ATOM 0 HD1 TYR A 57 -5.105 0.159 -5.065 1.00 32.31 H new ATOM 0 HD2 TYR A 57 -3.345 -3.716 -4.881 1.00 70.31 H new ATOM 0 HE1 TYR A 57 -3.611 0.921 -3.273 1.00 35.12 H new ATOM 0 HE2 TYR A 57 -1.851 -2.956 -3.089 1.00 15.40 H new ATOM 0 HH TYR A 57 -1.811 0.431 -2.030 1.00 14.23 H new ATOM 904 N THR A 58 -5.280 -3.648 -8.990 1.00 14.50 N ATOM 905 CA THR A 58 -5.914 -4.487 -10.018 1.00 33.35 C ATOM 906 C THR A 58 -5.903 -5.962 -9.600 1.00 33.44 C ATOM 907 O THR A 58 -5.330 -6.317 -8.569 1.00 64.25 O ATOM 908 CB THR A 58 -5.208 -4.338 -11.391 1.00 74.50 C ATOM 909 OG1 THR A 58 -5.897 -5.110 -12.388 1.00 40.05 O ATOM 910 CG2 THR A 58 -3.750 -4.784 -11.319 1.00 73.51 C ATOM 0 H THR A 58 -4.476 -4.082 -8.537 1.00 14.50 H new ATOM 0 HA THR A 58 -6.945 -4.146 -10.118 1.00 33.35 H new ATOM 0 HB THR A 58 -5.231 -3.283 -11.663 1.00 74.50 H new ATOM 0 HG1 THR A 58 -5.445 -5.008 -13.251 1.00 40.05 H new ATOM 0 HG21 THR A 58 -3.285 -4.667 -12.298 1.00 73.51 H new ATOM 0 HG22 THR A 58 -3.218 -4.174 -10.589 1.00 73.51 H new ATOM 0 HG23 THR A 58 -3.704 -5.831 -11.019 1.00 73.51 H new ATOM 918 N SER A 59 -6.519 -6.825 -10.404 1.00 65.24 N ATOM 919 CA SER A 59 -6.631 -8.249 -10.060 1.00 1.03 C ATOM 920 C SER A 59 -6.036 -9.151 -11.147 1.00 53.11 C ATOM 921 O SER A 59 -6.607 -9.310 -12.226 1.00 50.42 O ATOM 922 CB SER A 59 -8.098 -8.627 -9.813 1.00 71.43 C ATOM 923 OG SER A 59 -8.221 -9.987 -9.427 1.00 71.24 O ATOM 0 H SER A 59 -6.947 -6.570 -11.294 1.00 65.24 H new ATOM 0 HA SER A 59 -6.057 -8.406 -9.147 1.00 1.03 H new ATOM 0 HB2 SER A 59 -8.515 -7.987 -9.036 1.00 71.43 H new ATOM 0 HB3 SER A 59 -8.679 -8.449 -10.718 1.00 71.43 H new ATOM 0 HG SER A 59 -9.165 -10.200 -9.275 1.00 71.24 H new ATOM 929 N ARG A 60 -4.863 -9.715 -10.860 1.00 1.53 N ATOM 930 CA ARG A 60 -4.230 -10.711 -11.736 1.00 61.12 C ATOM 931 C ARG A 60 -3.580 -11.824 -10.896 1.00 65.53 C ATOM 932 O ARG A 60 -2.740 -12.583 -11.386 1.00 33.40 O ATOM 933 CB ARG A 60 -3.168 -10.057 -12.639 1.00 64.31 C ATOM 934 CG ARG A 60 -2.052 -9.337 -11.873 1.00 64.35 C ATOM 935 CD ARG A 60 -0.691 -9.491 -12.548 1.00 42.45 C ATOM 936 NE ARG A 60 -0.661 -8.960 -13.911 1.00 24.01 N ATOM 937 CZ ARG A 60 0.415 -8.938 -14.660 1.00 74.34 C ATOM 938 NH1 ARG A 60 1.539 -9.406 -14.217 1.00 73.54 N ATOM 939 NH2 ARG A 60 0.364 -8.447 -15.855 1.00 2.10 N ATOM 0 H ARG A 60 -4.325 -9.499 -10.021 1.00 1.53 H new ATOM 0 HA ARG A 60 -5.006 -11.142 -12.368 1.00 61.12 H new ATOM 0 HB2 ARG A 60 -2.723 -10.824 -13.272 1.00 64.31 H new ATOM 0 HB3 ARG A 60 -3.659 -9.343 -13.301 1.00 64.31 H new ATOM 0 HG2 ARG A 60 -2.296 -8.278 -11.791 1.00 64.35 H new ATOM 0 HG3 ARG A 60 -1.998 -9.732 -10.858 1.00 64.35 H new ATOM 0 HD2 ARG A 60 0.064 -8.981 -11.950 1.00 42.45 H new ATOM 0 HD3 ARG A 60 -0.421 -10.547 -12.570 1.00 42.45 H new ATOM 0 HE ARG A 60 -1.526 -8.586 -14.301 1.00 24.01 H new ATOM 0 HH11 ARG A 60 1.593 -9.797 -13.276 1.00 73.54 H new ATOM 0 HH12 ARG A 60 2.369 -9.384 -14.809 1.00 73.54 H new ATOM 0 HH21 ARG A 60 -0.514 -8.076 -16.217 1.00 2.10 H new ATOM 0 HH22 ARG A 60 1.202 -8.431 -16.436 1.00 2.10 H new ATOM 953 N TYR A 61 -3.990 -11.917 -9.629 1.00 50.45 N ATOM 954 CA TYR A 61 -3.375 -12.839 -8.665 1.00 73.43 C ATOM 955 C TYR A 61 -4.285 -13.050 -7.442 1.00 72.22 C ATOM 956 O TYR A 61 -5.299 -12.368 -7.284 1.00 52.53 O ATOM 957 CB TYR A 61 -2.018 -12.277 -8.200 1.00 23.01 C ATOM 958 CG TYR A 61 -2.137 -10.942 -7.478 1.00 72.41 C ATOM 959 CD1 TYR A 61 -2.204 -9.746 -8.188 1.00 31.12 C ATOM 960 CD2 TYR A 61 -2.198 -10.879 -6.088 1.00 62.43 C ATOM 961 CE1 TYR A 61 -2.328 -8.534 -7.537 1.00 43.53 C ATOM 962 CE2 TYR A 61 -2.325 -9.670 -5.434 1.00 31.13 C ATOM 963 CZ TYR A 61 -2.390 -8.503 -6.161 1.00 73.15 C ATOM 964 OH TYR A 61 -2.516 -7.300 -5.510 1.00 0.43 O ATOM 0 H TYR A 61 -4.752 -11.360 -9.242 1.00 50.45 H new ATOM 0 HA TYR A 61 -3.230 -13.800 -9.159 1.00 73.43 H new ATOM 0 HB2 TYR A 61 -1.541 -12.999 -7.538 1.00 23.01 H new ATOM 0 HB3 TYR A 61 -1.366 -12.158 -9.065 1.00 23.01 H new ATOM 0 HD1 TYR A 61 -2.158 -9.766 -9.267 1.00 31.12 H new ATOM 0 HD2 TYR A 61 -2.145 -11.791 -5.512 1.00 62.43 H new ATOM 0 HE1 TYR A 61 -2.376 -7.616 -8.104 1.00 43.53 H new ATOM 0 HE2 TYR A 61 -2.373 -9.640 -4.355 1.00 31.13 H new ATOM 0 HH TYR A 61 -2.546 -7.453 -4.543 1.00 0.43 H new ATOM 974 N VAL A 62 -3.909 -13.988 -6.578 1.00 32.23 N ATOM 975 CA VAL A 62 -4.620 -14.209 -5.313 1.00 32.24 C ATOM 976 C VAL A 62 -3.670 -14.017 -4.117 1.00 34.43 C ATOM 977 O VAL A 62 -2.713 -14.774 -3.945 1.00 34.35 O ATOM 978 CB VAL A 62 -5.243 -15.627 -5.250 1.00 54.01 C ATOM 979 CG1 VAL A 62 -6.022 -15.821 -3.950 1.00 63.35 C ATOM 980 CG2 VAL A 62 -6.140 -15.878 -6.464 1.00 14.11 C ATOM 0 H VAL A 62 -3.115 -14.611 -6.727 1.00 32.23 H new ATOM 0 HA VAL A 62 -5.424 -13.474 -5.262 1.00 32.24 H new ATOM 0 HB VAL A 62 -4.432 -16.355 -5.270 1.00 54.01 H new ATOM 0 HG11 VAL A 62 -6.450 -16.823 -3.928 1.00 63.35 H new ATOM 0 HG12 VAL A 62 -5.350 -15.695 -3.101 1.00 63.35 H new ATOM 0 HG13 VAL A 62 -6.822 -15.083 -3.892 1.00 63.35 H new ATOM 0 HG21 VAL A 62 -6.567 -16.879 -6.400 1.00 14.11 H new ATOM 0 HG22 VAL A 62 -6.943 -15.141 -6.482 1.00 14.11 H new ATOM 0 HG23 VAL A 62 -5.550 -15.793 -7.376 1.00 14.11 H new ATOM 990 N LEU A 63 -3.933 -12.995 -3.303 1.00 20.43 N ATOM 991 CA LEU A 63 -3.066 -12.669 -2.160 1.00 5.02 C ATOM 992 C LEU A 63 -3.249 -13.700 -1.027 1.00 55.12 C ATOM 993 O LEU A 63 -4.370 -13.994 -0.610 1.00 42.31 O ATOM 994 CB LEU A 63 -3.366 -11.239 -1.656 1.00 3.54 C ATOM 995 CG LEU A 63 -2.177 -10.471 -1.037 1.00 75.02 C ATOM 996 CD1 LEU A 63 -1.647 -11.164 0.213 1.00 43.43 C ATOM 997 CD2 LEU A 63 -1.063 -10.287 -2.064 1.00 4.11 C ATOM 0 H LEU A 63 -4.737 -12.377 -3.410 1.00 20.43 H new ATOM 0 HA LEU A 63 -2.027 -12.710 -2.487 1.00 5.02 H new ATOM 0 HB2 LEU A 63 -3.753 -10.655 -2.491 1.00 3.54 H new ATOM 0 HB3 LEU A 63 -4.161 -11.297 -0.912 1.00 3.54 H new ATOM 0 HG LEU A 63 -2.541 -9.488 -0.737 1.00 75.02 H new ATOM 0 HD11 LEU A 63 -0.812 -10.593 0.619 1.00 43.43 H new ATOM 0 HD12 LEU A 63 -2.440 -11.226 0.958 1.00 43.43 H new ATOM 0 HD13 LEU A 63 -1.310 -12.168 -0.043 1.00 43.43 H new ATOM 0 HD21 LEU A 63 -0.235 -9.744 -1.609 1.00 4.11 H new ATOM 0 HD22 LEU A 63 -0.715 -11.263 -2.402 1.00 4.11 H new ATOM 0 HD23 LEU A 63 -1.443 -9.722 -2.915 1.00 4.11 H new ATOM 1009 N LYS A 64 -2.133 -14.229 -0.531 1.00 44.41 N ATOM 1010 CA LYS A 64 -2.144 -15.293 0.481 1.00 61.22 C ATOM 1011 C LYS A 64 -2.589 -14.780 1.867 1.00 31.41 C ATOM 1012 O LYS A 64 -2.356 -13.622 2.226 1.00 42.21 O ATOM 1013 CB LYS A 64 -0.746 -15.918 0.571 1.00 20.32 C ATOM 1014 CG LYS A 64 -0.207 -16.382 -0.780 1.00 51.12 C ATOM 1015 CD LYS A 64 1.275 -16.739 -0.717 1.00 71.33 C ATOM 1016 CE LYS A 64 1.829 -17.071 -2.100 1.00 62.01 C ATOM 1017 NZ LYS A 64 3.292 -17.332 -2.069 1.00 52.02 N ATOM 0 H LYS A 64 -1.198 -13.937 -0.815 1.00 44.41 H new ATOM 0 HA LYS A 64 -2.872 -16.043 0.172 1.00 61.22 H new ATOM 0 HB2 LYS A 64 -0.057 -15.191 1.000 1.00 20.32 H new ATOM 0 HB3 LYS A 64 -0.778 -16.767 1.253 1.00 20.32 H new ATOM 0 HG2 LYS A 64 -0.774 -17.250 -1.117 1.00 51.12 H new ATOM 0 HG3 LYS A 64 -0.358 -15.596 -1.519 1.00 51.12 H new ATOM 0 HD2 LYS A 64 1.833 -15.906 -0.291 1.00 71.33 H new ATOM 0 HD3 LYS A 64 1.417 -17.591 -0.053 1.00 71.33 H new ATOM 0 HE2 LYS A 64 1.314 -17.946 -2.496 1.00 62.01 H new ATOM 0 HE3 LYS A 64 1.623 -16.245 -2.780 1.00 62.01 H new ATOM 0 HZ1 LYS A 64 3.626 -17.553 -3.029 1.00 52.02 H new ATOM 0 HZ2 LYS A 64 3.788 -16.489 -1.716 1.00 52.02 H new ATOM 0 HZ3 LYS A 64 3.488 -18.137 -1.440 1.00 52.02 H new ATOM 1031 N ALA A 65 -3.220 -15.661 2.644 1.00 1.24 N ATOM 1032 CA ALA A 65 -3.714 -15.310 3.983 1.00 23.14 C ATOM 1033 C ALA A 65 -2.580 -14.839 4.912 1.00 32.54 C ATOM 1034 O ALA A 65 -1.602 -15.559 5.137 1.00 53.02 O ATOM 1035 CB ALA A 65 -4.445 -16.498 4.601 1.00 31.43 C ATOM 0 H ALA A 65 -3.403 -16.627 2.371 1.00 1.24 H new ATOM 0 HA ALA A 65 -4.408 -14.477 3.869 1.00 23.14 H new ATOM 0 HB1 ALA A 65 -4.807 -16.227 5.593 1.00 31.43 H new ATOM 0 HB2 ALA A 65 -5.290 -16.774 3.970 1.00 31.43 H new ATOM 0 HB3 ALA A 65 -3.762 -17.343 4.683 1.00 31.43 H new ATOM 1041 N GLY A 66 -2.718 -13.625 5.444 1.00 40.51 N ATOM 1042 CA GLY A 66 -1.715 -13.073 6.353 1.00 72.20 C ATOM 1043 C GLY A 66 -0.451 -12.564 5.655 1.00 64.22 C ATOM 1044 O GLY A 66 0.463 -12.063 6.315 1.00 2.05 O ATOM 0 H GLY A 66 -3.510 -13.008 5.262 1.00 40.51 H new ATOM 0 HA2 GLY A 66 -2.162 -12.253 6.915 1.00 72.20 H new ATOM 0 HA3 GLY A 66 -1.434 -13.839 7.076 1.00 72.20 H new ATOM 1048 N GLN A 67 -0.402 -12.675 4.328 1.00 33.30 N ATOM 1049 CA GLN A 67 0.790 -12.299 3.556 1.00 41.13 C ATOM 1050 C GLN A 67 0.886 -10.774 3.353 1.00 34.14 C ATOM 1051 O GLN A 67 -0.128 -10.077 3.271 1.00 73.31 O ATOM 1052 CB GLN A 67 0.776 -13.015 2.193 1.00 52.33 C ATOM 1053 CG GLN A 67 2.067 -12.877 1.382 1.00 2.34 C ATOM 1054 CD GLN A 67 3.170 -13.845 1.806 1.00 54.11 C ATOM 1055 OE1 GLN A 67 3.984 -14.265 0.989 1.00 63.00 O ATOM 1056 NE2 GLN A 67 3.219 -14.212 3.072 1.00 24.52 N ATOM 0 H GLN A 67 -1.175 -13.023 3.760 1.00 33.30 H new ATOM 0 HA GLN A 67 1.667 -12.609 4.124 1.00 41.13 H new ATOM 0 HB2 GLN A 67 0.578 -14.074 2.357 1.00 52.33 H new ATOM 0 HB3 GLN A 67 -0.052 -12.624 1.601 1.00 52.33 H new ATOM 0 HG2 GLN A 67 1.841 -13.038 0.328 1.00 2.34 H new ATOM 0 HG3 GLN A 67 2.437 -11.856 1.477 1.00 2.34 H new ATOM 0 HE21 GLN A 67 2.533 -13.851 3.735 1.00 24.52 H new ATOM 0 HE22 GLN A 67 3.943 -14.857 3.388 1.00 24.52 H new ATOM 1065 N THR A 68 2.112 -10.262 3.282 1.00 23.20 N ATOM 1066 CA THR A 68 2.350 -8.828 3.049 1.00 41.42 C ATOM 1067 C THR A 68 2.523 -8.518 1.555 1.00 74.22 C ATOM 1068 O THR A 68 3.242 -9.220 0.844 1.00 53.41 O ATOM 1069 CB THR A 68 3.609 -8.322 3.798 1.00 65.11 C ATOM 1070 OG1 THR A 68 4.784 -9.002 3.321 1.00 75.43 O ATOM 1071 CG2 THR A 68 3.477 -8.533 5.302 1.00 22.13 C ATOM 0 H THR A 68 2.963 -10.816 3.382 1.00 23.20 H new ATOM 0 HA THR A 68 1.469 -8.313 3.432 1.00 41.42 H new ATOM 0 HB THR A 68 3.703 -7.254 3.602 1.00 65.11 H new ATOM 0 HG1 THR A 68 5.543 -8.792 3.904 1.00 75.43 H new ATOM 0 HG21 THR A 68 4.375 -8.169 5.801 1.00 22.13 H new ATOM 0 HG22 THR A 68 2.609 -7.986 5.671 1.00 22.13 H new ATOM 0 HG23 THR A 68 3.352 -9.595 5.511 1.00 22.13 H new ATOM 1079 N VAL A 69 1.862 -7.463 1.089 1.00 33.23 N ATOM 1080 CA VAL A 69 2.005 -6.998 -0.293 1.00 33.45 C ATOM 1081 C VAL A 69 2.773 -5.664 -0.350 1.00 23.53 C ATOM 1082 O VAL A 69 2.300 -4.629 0.126 1.00 21.22 O ATOM 1083 CB VAL A 69 0.623 -6.859 -0.988 1.00 1.02 C ATOM 1084 CG1 VAL A 69 -0.313 -5.935 -0.205 1.00 25.10 C ATOM 1085 CG2 VAL A 69 0.786 -6.383 -2.430 1.00 62.35 C ATOM 0 H VAL A 69 1.216 -6.908 1.651 1.00 33.23 H new ATOM 0 HA VAL A 69 2.581 -7.750 -0.833 1.00 33.45 H new ATOM 0 HB VAL A 69 0.162 -7.847 -1.006 1.00 1.02 H new ATOM 0 HG11 VAL A 69 -1.270 -5.863 -0.722 1.00 25.10 H new ATOM 0 HG12 VAL A 69 -0.471 -6.339 0.795 1.00 25.10 H new ATOM 0 HG13 VAL A 69 0.134 -4.944 -0.129 1.00 25.10 H new ATOM 0 HG21 VAL A 69 -0.195 -6.293 -2.897 1.00 62.35 H new ATOM 0 HG22 VAL A 69 1.282 -5.413 -2.439 1.00 62.35 H new ATOM 0 HG23 VAL A 69 1.387 -7.103 -2.985 1.00 62.35 H new ATOM 1095 N THR A 70 3.971 -5.701 -0.919 1.00 61.31 N ATOM 1096 CA THR A 70 4.839 -4.523 -0.972 1.00 42.23 C ATOM 1097 C THR A 70 4.624 -3.705 -2.256 1.00 15.23 C ATOM 1098 O THR A 70 4.736 -4.228 -3.366 1.00 23.10 O ATOM 1099 CB THR A 70 6.327 -4.932 -0.871 1.00 65.12 C ATOM 1100 OG1 THR A 70 6.559 -5.652 0.352 1.00 1.54 O ATOM 1101 CG2 THR A 70 7.236 -3.714 -0.913 1.00 13.51 C ATOM 0 H THR A 70 4.368 -6.535 -1.352 1.00 61.31 H new ATOM 0 HA THR A 70 4.572 -3.899 -0.119 1.00 42.23 H new ATOM 0 HB THR A 70 6.556 -5.569 -1.725 1.00 65.12 H new ATOM 0 HG1 THR A 70 7.503 -5.908 0.407 1.00 1.54 H new ATOM 0 HG21 THR A 70 8.276 -4.033 -0.840 1.00 13.51 H new ATOM 0 HG22 THR A 70 7.085 -3.180 -1.851 1.00 13.51 H new ATOM 0 HG23 THR A 70 7.000 -3.055 -0.078 1.00 13.51 H new ATOM 1109 N ILE A 71 4.308 -2.420 -2.091 1.00 14.31 N ATOM 1110 CA ILE A 71 4.139 -1.501 -3.224 1.00 3.21 C ATOM 1111 C ILE A 71 5.472 -0.821 -3.580 1.00 2.51 C ATOM 1112 O ILE A 71 5.876 0.141 -2.928 1.00 74.14 O ATOM 1113 CB ILE A 71 3.085 -0.405 -2.910 1.00 34.14 C ATOM 1114 CG1 ILE A 71 1.789 -1.029 -2.361 1.00 21.41 C ATOM 1115 CG2 ILE A 71 2.794 0.436 -4.155 1.00 1.21 C ATOM 1116 CD1 ILE A 71 1.104 -1.982 -3.317 1.00 12.24 C ATOM 0 H ILE A 71 4.163 -1.987 -1.179 1.00 14.31 H new ATOM 0 HA ILE A 71 3.794 -2.096 -4.070 1.00 3.21 H new ATOM 0 HB ILE A 71 3.497 0.250 -2.142 1.00 34.14 H new ATOM 0 HG12 ILE A 71 2.018 -1.561 -1.438 1.00 21.41 H new ATOM 0 HG13 ILE A 71 1.095 -0.229 -2.104 1.00 21.41 H new ATOM 0 HG21 ILE A 71 2.053 1.198 -3.914 1.00 1.21 H new ATOM 0 HG22 ILE A 71 3.712 0.916 -4.492 1.00 1.21 H new ATOM 0 HG23 ILE A 71 2.409 -0.207 -4.947 1.00 1.21 H new ATOM 0 HD11 ILE A 71 0.200 -2.376 -2.852 1.00 12.24 H new ATOM 0 HD12 ILE A 71 0.840 -1.452 -4.232 1.00 12.24 H new ATOM 0 HD13 ILE A 71 1.778 -2.805 -3.556 1.00 12.24 H new ATOM 1128 N TRP A 72 6.154 -1.329 -4.602 1.00 64.13 N ATOM 1129 CA TRP A 72 7.464 -0.795 -5.008 1.00 21.41 C ATOM 1130 C TRP A 72 7.326 0.415 -5.947 1.00 2.50 C ATOM 1131 O TRP A 72 6.276 0.635 -6.544 1.00 31.25 O ATOM 1132 CB TRP A 72 8.285 -1.889 -5.702 1.00 4.10 C ATOM 1133 CG TRP A 72 8.594 -3.066 -4.824 1.00 24.02 C ATOM 1134 CD1 TRP A 72 7.809 -4.165 -4.620 1.00 14.12 C ATOM 1135 CD2 TRP A 72 9.777 -3.267 -4.037 1.00 50.31 C ATOM 1136 NE1 TRP A 72 8.426 -5.033 -3.753 1.00 54.10 N ATOM 1137 CE2 TRP A 72 9.635 -4.506 -3.382 1.00 5.12 C ATOM 1138 CE3 TRP A 72 10.944 -2.522 -3.823 1.00 14.34 C ATOM 1139 CZ2 TRP A 72 10.611 -5.015 -2.532 1.00 14.51 C ATOM 1140 CZ3 TRP A 72 11.911 -3.030 -2.975 1.00 55.54 C ATOM 1141 CH2 TRP A 72 11.739 -4.265 -2.339 1.00 4.32 C ATOM 0 H TRP A 72 5.827 -2.111 -5.169 1.00 64.13 H new ATOM 0 HA TRP A 72 7.974 -0.463 -4.104 1.00 21.41 H new ATOM 0 HB2 TRP A 72 7.741 -2.236 -6.580 1.00 4.10 H new ATOM 0 HB3 TRP A 72 9.221 -1.457 -6.057 1.00 4.10 H new ATOM 0 HD1 TRP A 72 6.843 -4.328 -5.075 1.00 14.12 H new ATOM 0 HE1 TRP A 72 8.046 -5.925 -3.437 1.00 54.10 H new ATOM 0 HE3 TRP A 72 11.086 -1.569 -4.311 1.00 14.34 H new ATOM 0 HZ2 TRP A 72 10.483 -5.969 -2.042 1.00 14.51 H new ATOM 0 HZ3 TRP A 72 12.814 -2.464 -2.800 1.00 55.54 H new ATOM 0 HH2 TRP A 72 12.513 -4.634 -1.682 1.00 4.32 H new ATOM 1152 N ALA A 73 8.399 1.194 -6.073 1.00 2.21 N ATOM 1153 CA ALA A 73 8.429 2.340 -6.992 1.00 14.23 C ATOM 1154 C ALA A 73 8.870 1.929 -8.413 1.00 15.23 C ATOM 1155 O ALA A 73 9.369 0.821 -8.626 1.00 51.41 O ATOM 1156 CB ALA A 73 9.356 3.419 -6.441 1.00 13.45 C ATOM 0 H ALA A 73 9.264 1.055 -5.550 1.00 2.21 H new ATOM 0 HA ALA A 73 7.415 2.734 -7.069 1.00 14.23 H new ATOM 0 HB1 ALA A 73 9.375 4.267 -7.126 1.00 13.45 H new ATOM 0 HB2 ALA A 73 8.993 3.747 -5.467 1.00 13.45 H new ATOM 0 HB3 ALA A 73 10.363 3.015 -6.336 1.00 13.45 H new ATOM 1162 N ALA A 74 8.690 2.837 -9.376 1.00 11.23 N ATOM 1163 CA ALA A 74 9.054 2.583 -10.784 1.00 2.42 C ATOM 1164 C ALA A 74 10.497 2.068 -10.937 1.00 43.24 C ATOM 1165 O ALA A 74 10.722 0.966 -11.436 1.00 44.11 O ATOM 1166 CB ALA A 74 8.850 3.847 -11.613 1.00 62.54 C ATOM 0 H ALA A 74 8.292 3.762 -9.211 1.00 11.23 H new ATOM 0 HA ALA A 74 8.396 1.796 -11.151 1.00 2.42 H new ATOM 0 HB1 ALA A 74 9.121 3.650 -12.650 1.00 62.54 H new ATOM 0 HB2 ALA A 74 7.804 4.150 -11.563 1.00 62.54 H new ATOM 0 HB3 ALA A 74 9.479 4.646 -11.219 1.00 62.54 H new ATOM 1172 N ASN A 75 11.474 2.864 -10.513 1.00 51.22 N ATOM 1173 CA ASN A 75 12.884 2.452 -10.571 1.00 64.43 C ATOM 1174 C ASN A 75 13.332 1.752 -9.272 1.00 31.11 C ATOM 1175 O ASN A 75 14.444 1.966 -8.784 1.00 12.13 O ATOM 1176 CB ASN A 75 13.782 3.662 -10.870 1.00 52.45 C ATOM 1177 CG ASN A 75 13.728 4.072 -12.332 1.00 71.15 C ATOM 1178 OD1 ASN A 75 14.503 3.591 -13.150 1.00 51.44 O ATOM 1179 ND2 ASN A 75 12.817 4.955 -12.679 1.00 1.53 N ATOM 0 H ASN A 75 11.322 3.795 -10.126 1.00 51.22 H new ATOM 0 HA ASN A 75 12.983 1.729 -11.380 1.00 64.43 H new ATOM 0 HB2 ASN A 75 13.475 4.502 -10.248 1.00 52.45 H new ATOM 0 HB3 ASN A 75 14.811 3.424 -10.599 1.00 52.45 H new ATOM 0 HD21 ASN A 75 12.743 5.256 -13.651 1.00 1.53 H new ATOM 0 HD22 ASN A 75 12.185 5.339 -11.976 1.00 1.53 H new ATOM 1186 N ALA A 76 12.469 0.888 -8.731 1.00 55.01 N ATOM 1187 CA ALA A 76 12.807 0.101 -7.537 1.00 11.15 C ATOM 1188 C ALA A 76 13.775 -1.047 -7.869 1.00 32.32 C ATOM 1189 O ALA A 76 14.333 -1.679 -6.974 1.00 11.34 O ATOM 1190 CB ALA A 76 11.544 -0.447 -6.884 1.00 23.54 C ATOM 0 H ALA A 76 11.533 0.714 -9.098 1.00 55.01 H new ATOM 0 HA ALA A 76 13.309 0.768 -6.836 1.00 11.15 H new ATOM 0 HB1 ALA A 76 11.813 -1.027 -6.001 1.00 23.54 H new ATOM 0 HB2 ALA A 76 10.897 0.380 -6.591 1.00 23.54 H new ATOM 0 HB3 ALA A 76 11.017 -1.087 -7.592 1.00 23.54 H new ATOM 1196 N GLY A 77 13.957 -1.320 -9.161 1.00 52.01 N ATOM 1197 CA GLY A 77 14.905 -2.345 -9.595 1.00 45.43 C ATOM 1198 C GLY A 77 14.268 -3.714 -9.813 1.00 3.33 C ATOM 1199 O GLY A 77 14.548 -4.386 -10.807 1.00 74.24 O ATOM 0 H GLY A 77 13.464 -0.849 -9.920 1.00 52.01 H new ATOM 0 HA2 GLY A 77 15.377 -2.022 -10.523 1.00 45.43 H new ATOM 0 HA3 GLY A 77 15.695 -2.436 -8.850 1.00 45.43 H new ATOM 1203 N VAL A 78 13.411 -4.125 -8.882 1.00 21.14 N ATOM 1204 CA VAL A 78 12.733 -5.426 -8.960 1.00 30.14 C ATOM 1205 C VAL A 78 11.862 -5.562 -10.227 1.00 1.24 C ATOM 1206 O VAL A 78 11.651 -4.592 -10.962 1.00 44.14 O ATOM 1207 CB VAL A 78 11.851 -5.667 -7.709 1.00 13.31 C ATOM 1208 CG1 VAL A 78 12.702 -5.677 -6.438 1.00 71.14 C ATOM 1209 CG2 VAL A 78 10.743 -4.618 -7.612 1.00 43.52 C ATOM 0 H VAL A 78 13.165 -3.576 -8.058 1.00 21.14 H new ATOM 0 HA VAL A 78 13.520 -6.178 -9.006 1.00 30.14 H new ATOM 0 HB VAL A 78 11.381 -6.645 -7.811 1.00 13.31 H new ATOM 0 HG11 VAL A 78 12.062 -5.848 -5.573 1.00 71.14 H new ATOM 0 HG12 VAL A 78 13.444 -6.473 -6.503 1.00 71.14 H new ATOM 0 HG13 VAL A 78 13.208 -4.717 -6.331 1.00 71.14 H new ATOM 0 HG21 VAL A 78 10.138 -4.809 -6.726 1.00 43.52 H new ATOM 0 HG22 VAL A 78 11.187 -3.625 -7.541 1.00 43.52 H new ATOM 0 HG23 VAL A 78 10.113 -4.671 -8.500 1.00 43.52 H new ATOM 1219 N THR A 79 11.357 -6.771 -10.477 1.00 54.22 N ATOM 1220 CA THR A 79 10.493 -7.030 -11.641 1.00 34.13 C ATOM 1221 C THR A 79 9.302 -6.062 -11.679 1.00 42.00 C ATOM 1222 O THR A 79 8.595 -5.898 -10.691 1.00 74.23 O ATOM 1223 CB THR A 79 9.966 -8.485 -11.640 1.00 75.45 C ATOM 1224 OG1 THR A 79 11.073 -9.396 -11.584 1.00 15.23 O ATOM 1225 CG2 THR A 79 9.127 -8.782 -12.882 1.00 5.14 C ATOM 0 H THR A 79 11.528 -7.589 -9.892 1.00 54.22 H new ATOM 0 HA THR A 79 11.106 -6.875 -12.529 1.00 34.13 H new ATOM 0 HB THR A 79 9.329 -8.610 -10.764 1.00 75.45 H new ATOM 0 HG1 THR A 79 10.739 -10.317 -11.582 1.00 15.23 H new ATOM 0 HG21 THR A 79 8.775 -9.813 -12.845 1.00 5.14 H new ATOM 0 HG22 THR A 79 8.272 -8.107 -12.913 1.00 5.14 H new ATOM 0 HG23 THR A 79 9.735 -8.638 -13.775 1.00 5.14 H new ATOM 1233 N ALA A 80 9.080 -5.438 -12.832 1.00 75.14 N ATOM 1234 CA ALA A 80 8.072 -4.377 -12.971 1.00 33.04 C ATOM 1235 C ALA A 80 6.631 -4.912 -13.081 1.00 73.23 C ATOM 1236 O ALA A 80 5.708 -4.154 -13.379 1.00 32.31 O ATOM 1237 CB ALA A 80 8.402 -3.522 -14.190 1.00 43.23 C ATOM 0 H ALA A 80 9.586 -5.647 -13.693 1.00 75.14 H new ATOM 0 HA ALA A 80 8.111 -3.780 -12.060 1.00 33.04 H new ATOM 0 HB1 ALA A 80 7.656 -2.735 -14.295 1.00 43.23 H new ATOM 0 HB2 ALA A 80 9.387 -3.074 -14.064 1.00 43.23 H new ATOM 0 HB3 ALA A 80 8.399 -4.146 -15.084 1.00 43.23 H new ATOM 1243 N SER A 81 6.431 -6.205 -12.832 1.00 61.11 N ATOM 1244 CA SER A 81 5.095 -6.803 -12.969 1.00 22.34 C ATOM 1245 C SER A 81 4.902 -8.028 -12.051 1.00 25.24 C ATOM 1246 O SER A 81 5.770 -8.899 -11.969 1.00 73.23 O ATOM 1247 CB SER A 81 4.846 -7.208 -14.429 1.00 4.24 C ATOM 1248 OG SER A 81 3.511 -7.643 -14.632 1.00 73.14 O ATOM 0 H SER A 81 7.161 -6.854 -12.539 1.00 61.11 H new ATOM 0 HA SER A 81 4.372 -6.046 -12.664 1.00 22.34 H new ATOM 0 HB2 SER A 81 5.056 -6.361 -15.083 1.00 4.24 H new ATOM 0 HB3 SER A 81 5.535 -8.005 -14.708 1.00 4.24 H new ATOM 0 HG SER A 81 3.383 -7.876 -15.575 1.00 73.14 H new ATOM 1254 N PRO A 82 3.756 -8.085 -11.329 1.00 23.01 N ATOM 1255 CA PRO A 82 3.337 -9.268 -10.528 1.00 54.40 C ATOM 1256 C PRO A 82 3.297 -10.584 -11.361 1.00 42.11 C ATOM 1257 O PRO A 82 3.572 -10.561 -12.563 1.00 50.12 O ATOM 1258 CB PRO A 82 1.923 -8.863 -10.060 1.00 24.45 C ATOM 1259 CG PRO A 82 1.934 -7.377 -10.053 1.00 20.22 C ATOM 1260 CD PRO A 82 2.793 -6.973 -11.215 1.00 42.42 C ATOM 0 HA PRO A 82 4.032 -9.491 -9.718 1.00 54.40 H new ATOM 0 HB2 PRO A 82 1.158 -9.249 -10.734 1.00 24.45 H new ATOM 0 HB3 PRO A 82 1.706 -9.261 -9.069 1.00 24.45 H new ATOM 0 HG2 PRO A 82 0.925 -6.977 -10.154 1.00 20.22 H new ATOM 0 HG3 PRO A 82 2.337 -6.993 -9.116 1.00 20.22 H new ATOM 0 HD2 PRO A 82 2.207 -6.854 -12.126 1.00 42.42 H new ATOM 0 HD3 PRO A 82 3.295 -6.023 -11.033 1.00 42.42 H new ATOM 1268 N PRO A 83 2.898 -11.752 -10.775 1.00 14.34 N ATOM 1269 CA PRO A 83 2.377 -11.892 -9.403 1.00 74.32 C ATOM 1270 C PRO A 83 3.424 -12.253 -8.327 1.00 13.13 C ATOM 1271 O PRO A 83 3.831 -13.405 -8.196 1.00 65.14 O ATOM 1272 CB PRO A 83 1.367 -13.029 -9.572 1.00 32.33 C ATOM 1273 CG PRO A 83 1.948 -13.911 -10.641 1.00 44.41 C ATOM 1274 CD PRO A 83 2.908 -13.062 -11.457 1.00 31.45 C ATOM 0 HA PRO A 83 1.979 -10.947 -9.034 1.00 74.32 H new ATOM 0 HB2 PRO A 83 1.230 -13.577 -8.640 1.00 32.33 H new ATOM 0 HB3 PRO A 83 0.389 -12.647 -9.864 1.00 32.33 H new ATOM 0 HG2 PRO A 83 2.468 -14.760 -10.198 1.00 44.41 H new ATOM 0 HG3 PRO A 83 1.159 -14.316 -11.275 1.00 44.41 H new ATOM 0 HD2 PRO A 83 3.908 -13.495 -11.474 1.00 31.45 H new ATOM 0 HD3 PRO A 83 2.581 -12.975 -12.493 1.00 31.45 H new ATOM 1282 N THR A 84 3.840 -11.242 -7.562 1.00 53.33 N ATOM 1283 CA THR A 84 4.696 -11.419 -6.371 1.00 31.33 C ATOM 1284 C THR A 84 4.542 -10.210 -5.445 1.00 14.31 C ATOM 1285 O THR A 84 4.132 -10.334 -4.290 1.00 34.44 O ATOM 1286 CB THR A 84 6.202 -11.587 -6.720 1.00 22.40 C ATOM 1287 OG1 THR A 84 6.567 -10.729 -7.815 1.00 41.30 O ATOM 1288 CG2 THR A 84 6.543 -13.038 -7.052 1.00 3.43 C ATOM 0 H THR A 84 3.595 -10.269 -7.746 1.00 53.33 H new ATOM 0 HA THR A 84 4.366 -12.336 -5.884 1.00 31.33 H new ATOM 0 HB THR A 84 6.776 -11.300 -5.839 1.00 22.40 H new ATOM 0 HG1 THR A 84 7.518 -10.847 -8.020 1.00 41.30 H new ATOM 0 HG21 THR A 84 7.604 -13.117 -7.291 1.00 3.43 H new ATOM 0 HG22 THR A 84 6.316 -13.671 -6.194 1.00 3.43 H new ATOM 0 HG23 THR A 84 5.953 -13.364 -7.909 1.00 3.43 H new ATOM 1296 N ASP A 85 4.890 -9.043 -5.973 1.00 24.44 N ATOM 1297 CA ASP A 85 4.657 -7.765 -5.300 1.00 64.41 C ATOM 1298 C ASP A 85 3.795 -6.856 -6.194 1.00 11.44 C ATOM 1299 O ASP A 85 3.238 -7.314 -7.195 1.00 61.21 O ATOM 1300 CB ASP A 85 5.998 -7.088 -4.993 1.00 64.24 C ATOM 1301 CG ASP A 85 6.908 -7.953 -4.140 1.00 14.33 C ATOM 1302 OD1 ASP A 85 7.672 -8.762 -4.707 1.00 74.24 O ATOM 1303 OD2 ASP A 85 6.868 -7.825 -2.899 1.00 43.31 O ATOM 0 H ASP A 85 5.343 -8.953 -6.882 1.00 24.44 H new ATOM 0 HA ASP A 85 4.129 -7.942 -4.363 1.00 64.41 H new ATOM 0 HB2 ASP A 85 6.503 -6.849 -5.929 1.00 64.24 H new ATOM 0 HB3 ASP A 85 5.815 -6.144 -4.480 1.00 64.24 H new ATOM 1308 N LEU A 86 3.678 -5.580 -5.837 1.00 31.13 N ATOM 1309 CA LEU A 86 2.969 -4.599 -6.675 1.00 41.41 C ATOM 1310 C LEU A 86 3.852 -3.375 -6.950 1.00 55.52 C ATOM 1311 O LEU A 86 4.111 -2.567 -6.060 1.00 70.25 O ATOM 1312 CB LEU A 86 1.649 -4.166 -6.016 1.00 54.44 C ATOM 1313 CG LEU A 86 0.545 -5.237 -5.979 1.00 51.41 C ATOM 1314 CD1 LEU A 86 -0.684 -4.719 -5.240 1.00 0.14 C ATOM 1315 CD2 LEU A 86 0.173 -5.681 -7.393 1.00 31.23 C ATOM 0 H LEU A 86 4.063 -5.195 -4.975 1.00 31.13 H new ATOM 0 HA LEU A 86 2.738 -5.079 -7.626 1.00 41.41 H new ATOM 0 HB2 LEU A 86 1.860 -3.851 -4.994 1.00 54.44 H new ATOM 0 HB3 LEU A 86 1.267 -3.294 -6.546 1.00 54.44 H new ATOM 0 HG LEU A 86 0.930 -6.102 -5.439 1.00 51.41 H new ATOM 0 HD11 LEU A 86 -1.452 -5.492 -5.225 1.00 0.14 H new ATOM 0 HD12 LEU A 86 -0.411 -4.459 -4.217 1.00 0.14 H new ATOM 0 HD13 LEU A 86 -1.068 -3.835 -5.748 1.00 0.14 H new ATOM 0 HD21 LEU A 86 -0.609 -6.438 -7.343 1.00 31.23 H new ATOM 0 HD22 LEU A 86 -0.188 -4.823 -7.960 1.00 31.23 H new ATOM 0 HD23 LEU A 86 1.051 -6.098 -7.886 1.00 31.23 H new ATOM 1327 N ILE A 87 4.316 -3.246 -8.188 1.00 62.01 N ATOM 1328 CA ILE A 87 5.241 -2.170 -8.556 1.00 4.03 C ATOM 1329 C ILE A 87 4.495 -0.971 -9.163 1.00 61.35 C ATOM 1330 O ILE A 87 3.985 -1.034 -10.285 1.00 31.41 O ATOM 1331 CB ILE A 87 6.337 -2.661 -9.547 1.00 33.54 C ATOM 1332 CG1 ILE A 87 7.241 -3.728 -8.890 1.00 10.34 C ATOM 1333 CG2 ILE A 87 7.181 -1.483 -10.045 1.00 24.05 C ATOM 1334 CD1 ILE A 87 6.551 -5.048 -8.592 1.00 23.31 C ATOM 0 H ILE A 87 4.070 -3.870 -8.956 1.00 62.01 H new ATOM 0 HA ILE A 87 5.728 -1.852 -7.634 1.00 4.03 H new ATOM 0 HB ILE A 87 5.836 -3.117 -10.401 1.00 33.54 H new ATOM 0 HG12 ILE A 87 8.091 -3.918 -9.545 1.00 10.34 H new ATOM 0 HG13 ILE A 87 7.640 -3.324 -7.960 1.00 10.34 H new ATOM 0 HG21 ILE A 87 7.941 -1.847 -10.736 1.00 24.05 H new ATOM 0 HG22 ILE A 87 6.539 -0.766 -10.556 1.00 24.05 H new ATOM 0 HG23 ILE A 87 7.664 -0.997 -9.197 1.00 24.05 H new ATOM 0 HD11 ILE A 87 7.262 -5.735 -8.132 1.00 23.31 H new ATOM 0 HD12 ILE A 87 5.718 -4.877 -7.910 1.00 23.31 H new ATOM 0 HD13 ILE A 87 6.177 -5.481 -9.520 1.00 23.31 H new ATOM 1346 N TRP A 88 4.432 0.116 -8.403 1.00 32.12 N ATOM 1347 CA TRP A 88 3.797 1.355 -8.852 1.00 44.23 C ATOM 1348 C TRP A 88 4.689 2.081 -9.879 1.00 30.24 C ATOM 1349 O TRP A 88 5.452 2.987 -9.543 1.00 40.43 O ATOM 1350 CB TRP A 88 3.518 2.254 -7.637 1.00 10.44 C ATOM 1351 CG TRP A 88 2.672 3.459 -7.931 1.00 40.13 C ATOM 1352 CD1 TRP A 88 1.888 3.677 -9.026 1.00 50.31 C ATOM 1353 CD2 TRP A 88 2.515 4.603 -7.090 1.00 62.04 C ATOM 1354 NE1 TRP A 88 1.253 4.889 -8.916 1.00 14.14 N ATOM 1355 CE2 TRP A 88 1.623 5.477 -7.737 1.00 43.55 C ATOM 1356 CE3 TRP A 88 3.043 4.972 -5.850 1.00 32.52 C ATOM 1357 CZ2 TRP A 88 1.248 6.697 -7.185 1.00 63.52 C ATOM 1358 CZ3 TRP A 88 2.669 6.183 -5.303 1.00 21.41 C ATOM 1359 CH2 TRP A 88 1.778 7.031 -5.971 1.00 24.24 C ATOM 0 H TRP A 88 4.818 0.166 -7.460 1.00 32.12 H new ATOM 0 HA TRP A 88 2.853 1.118 -9.342 1.00 44.23 H new ATOM 0 HB2 TRP A 88 3.025 1.660 -6.868 1.00 10.44 H new ATOM 0 HB3 TRP A 88 4.469 2.587 -7.222 1.00 10.44 H new ATOM 0 HD1 TRP A 88 1.782 2.996 -9.857 1.00 50.31 H new ATOM 0 HE1 TRP A 88 0.610 5.286 -9.601 1.00 14.14 H new ATOM 0 HE3 TRP A 88 3.731 4.322 -5.329 1.00 32.52 H new ATOM 0 HZ2 TRP A 88 0.563 7.356 -7.697 1.00 63.52 H new ATOM 0 HZ3 TRP A 88 3.070 6.481 -4.345 1.00 21.41 H new ATOM 0 HH2 TRP A 88 1.503 7.971 -5.516 1.00 24.24 H new ATOM 1370 N LYS A 89 4.577 1.672 -11.140 1.00 3.11 N ATOM 1371 CA LYS A 89 5.438 2.187 -12.216 1.00 12.52 C ATOM 1372 C LYS A 89 5.084 3.630 -12.621 1.00 13.22 C ATOM 1373 O LYS A 89 5.665 4.176 -13.559 1.00 33.23 O ATOM 1374 CB LYS A 89 5.331 1.271 -13.441 1.00 42.03 C ATOM 1375 CG LYS A 89 5.728 -0.173 -13.160 1.00 31.44 C ATOM 1376 CD LYS A 89 5.530 -1.084 -14.373 1.00 13.25 C ATOM 1377 CE LYS A 89 4.055 -1.360 -14.674 1.00 73.54 C ATOM 1378 NZ LYS A 89 3.341 -0.167 -15.203 1.00 2.41 N ATOM 0 H LYS A 89 3.895 0.980 -11.449 1.00 3.11 H new ATOM 0 HA LYS A 89 6.459 2.199 -11.835 1.00 12.52 H new ATOM 0 HB2 LYS A 89 4.306 1.292 -13.811 1.00 42.03 H new ATOM 0 HB3 LYS A 89 5.965 1.665 -14.235 1.00 42.03 H new ATOM 0 HG2 LYS A 89 6.773 -0.205 -12.853 1.00 31.44 H new ATOM 0 HG3 LYS A 89 5.138 -0.552 -12.325 1.00 31.44 H new ATOM 0 HD2 LYS A 89 5.994 -0.625 -15.246 1.00 13.25 H new ATOM 0 HD3 LYS A 89 6.044 -2.030 -14.199 1.00 13.25 H new ATOM 0 HE2 LYS A 89 3.982 -2.172 -15.398 1.00 73.54 H new ATOM 0 HE3 LYS A 89 3.561 -1.700 -13.764 1.00 73.54 H new ATOM 0 HZ1 LYS A 89 2.705 -0.456 -15.973 1.00 2.41 H new ATOM 0 HZ2 LYS A 89 2.785 0.271 -14.441 1.00 2.41 H new ATOM 0 HZ3 LYS A 89 4.033 0.520 -15.565 1.00 2.41 H new ATOM 1392 N ASN A 90 4.136 4.244 -11.918 1.00 24.01 N ATOM 1393 CA ASN A 90 3.680 5.599 -12.253 1.00 5.15 C ATOM 1394 C ASN A 90 4.449 6.687 -11.482 1.00 34.44 C ATOM 1395 O ASN A 90 4.365 7.868 -11.824 1.00 70.33 O ATOM 1396 CB ASN A 90 2.177 5.723 -11.989 1.00 72.54 C ATOM 1397 CG ASN A 90 1.378 4.705 -12.784 1.00 3.51 C ATOM 1398 OD1 ASN A 90 1.127 3.596 -12.322 1.00 4.35 O ATOM 1399 ND2 ASN A 90 0.980 5.063 -13.988 1.00 63.02 N ATOM 0 H ASN A 90 3.666 3.829 -11.113 1.00 24.01 H new ATOM 0 HA ASN A 90 3.882 5.758 -13.312 1.00 5.15 H new ATOM 0 HB2 ASN A 90 1.983 5.587 -10.925 1.00 72.54 H new ATOM 0 HB3 ASN A 90 1.844 6.728 -12.248 1.00 72.54 H new ATOM 0 HD21 ASN A 90 0.448 4.411 -14.564 1.00 63.02 H new ATOM 0 HD22 ASN A 90 1.204 5.992 -14.344 1.00 63.02 H new ATOM 1406 N GLN A 91 5.198 6.295 -10.448 1.00 42.25 N ATOM 1407 CA GLN A 91 5.991 7.254 -9.665 1.00 54.24 C ATOM 1408 C GLN A 91 7.237 6.585 -9.056 1.00 33.12 C ATOM 1409 O GLN A 91 7.298 5.363 -8.920 1.00 42.14 O ATOM 1410 CB GLN A 91 5.130 7.881 -8.552 1.00 22.43 C ATOM 1411 CG GLN A 91 5.726 9.159 -7.963 1.00 44.02 C ATOM 1412 CD GLN A 91 4.893 9.754 -6.839 1.00 32.13 C ATOM 1413 OE1 GLN A 91 4.257 9.046 -6.067 1.00 51.03 O ATOM 1414 NE2 GLN A 91 4.880 11.067 -6.747 1.00 13.24 N ATOM 0 H GLN A 91 5.274 5.328 -10.133 1.00 42.25 H new ATOM 0 HA GLN A 91 6.325 8.040 -10.342 1.00 54.24 H new ATOM 0 HB2 GLN A 91 4.140 8.102 -8.951 1.00 22.43 H new ATOM 0 HB3 GLN A 91 4.996 7.151 -7.754 1.00 22.43 H new ATOM 0 HG2 GLN A 91 6.727 8.945 -7.589 1.00 44.02 H new ATOM 0 HG3 GLN A 91 5.834 9.899 -8.756 1.00 44.02 H new ATOM 0 HE21 GLN A 91 5.420 11.630 -7.405 1.00 13.24 H new ATOM 0 HE22 GLN A 91 4.330 11.522 -6.018 1.00 13.24 H new ATOM 1423 N ASN A 92 8.235 7.394 -8.703 1.00 20.31 N ATOM 1424 CA ASN A 92 9.483 6.883 -8.120 1.00 32.22 C ATOM 1425 C ASN A 92 9.629 7.241 -6.633 1.00 32.33 C ATOM 1426 O ASN A 92 8.688 7.709 -5.994 1.00 42.13 O ATOM 1427 CB ASN A 92 10.684 7.412 -8.905 1.00 11.24 C ATOM 1428 CG ASN A 92 10.731 6.841 -10.303 1.00 4.41 C ATOM 1429 OD1 ASN A 92 11.291 5.776 -10.525 1.00 63.22 O ATOM 1430 ND2 ASN A 92 10.135 7.531 -11.253 1.00 75.45 N ATOM 0 H ASN A 92 8.207 8.408 -8.809 1.00 20.31 H new ATOM 0 HA ASN A 92 9.447 5.796 -8.188 1.00 32.22 H new ATOM 0 HB2 ASN A 92 10.635 8.500 -8.957 1.00 11.24 H new ATOM 0 HB3 ASN A 92 11.604 7.160 -8.377 1.00 11.24 H new ATOM 0 HD21 ASN A 92 10.130 7.181 -12.211 1.00 75.45 H new ATOM 0 HD22 ASN A 92 9.678 8.415 -11.031 1.00 75.45 H new ATOM 1437 N SER A 93 10.829 7.001 -6.095 1.00 34.13 N ATOM 1438 CA SER A 93 11.111 7.198 -4.665 1.00 33.10 C ATOM 1439 C SER A 93 10.895 8.644 -4.195 1.00 70.34 C ATOM 1440 O SER A 93 10.975 9.594 -4.974 1.00 44.30 O ATOM 1441 CB SER A 93 12.548 6.771 -4.341 1.00 54.23 C ATOM 1442 OG SER A 93 12.722 5.372 -4.515 1.00 24.22 O ATOM 0 H SER A 93 11.629 6.667 -6.632 1.00 34.13 H new ATOM 0 HA SER A 93 10.397 6.573 -4.128 1.00 33.10 H new ATOM 0 HB2 SER A 93 13.244 7.309 -4.985 1.00 54.23 H new ATOM 0 HB3 SER A 93 12.788 7.045 -3.314 1.00 54.23 H new ATOM 0 HG SER A 93 13.647 5.129 -4.303 1.00 24.22 H new ATOM 1448 N TRP A 94 10.655 8.787 -2.894 1.00 54.15 N ATOM 1449 CA TRP A 94 10.386 10.088 -2.272 1.00 41.00 C ATOM 1450 C TRP A 94 11.314 10.330 -1.071 1.00 64.43 C ATOM 1451 O TRP A 94 11.880 9.388 -0.515 1.00 30.22 O ATOM 1452 CB TRP A 94 8.915 10.150 -1.830 1.00 54.01 C ATOM 1453 CG TRP A 94 8.489 8.962 -1.009 1.00 30.53 C ATOM 1454 CD1 TRP A 94 8.474 8.860 0.354 1.00 23.22 C ATOM 1455 CD2 TRP A 94 8.029 7.698 -1.508 1.00 62.02 C ATOM 1456 NE1 TRP A 94 8.033 7.614 0.729 1.00 73.03 N ATOM 1457 CE2 TRP A 94 7.753 6.883 -0.395 1.00 64.15 C ATOM 1458 CE3 TRP A 94 7.824 7.179 -2.788 1.00 52.54 C ATOM 1459 CZ2 TRP A 94 7.286 5.578 -0.525 1.00 70.55 C ATOM 1460 CZ3 TRP A 94 7.360 5.884 -2.917 1.00 41.01 C ATOM 1461 CH2 TRP A 94 7.094 5.098 -1.791 1.00 50.24 C ATOM 0 H TRP A 94 10.641 8.006 -2.238 1.00 54.15 H new ATOM 0 HA TRP A 94 10.579 10.871 -3.005 1.00 41.00 H new ATOM 0 HB2 TRP A 94 8.755 11.059 -1.251 1.00 54.01 H new ATOM 0 HB3 TRP A 94 8.280 10.219 -2.713 1.00 54.01 H new ATOM 0 HD1 TRP A 94 8.766 9.644 1.037 1.00 23.22 H new ATOM 0 HE1 TRP A 94 7.931 7.286 1.689 1.00 73.03 H new ATOM 0 HE3 TRP A 94 8.025 7.780 -3.663 1.00 52.54 H new ATOM 0 HZ2 TRP A 94 7.083 4.967 0.342 1.00 70.55 H new ATOM 0 HZ3 TRP A 94 7.200 5.472 -3.903 1.00 41.01 H new ATOM 0 HH2 TRP A 94 6.729 4.090 -1.924 1.00 50.24 H new ATOM 1472 N GLY A 95 11.465 11.592 -0.676 1.00 11.01 N ATOM 1473 CA GLY A 95 12.321 11.928 0.464 1.00 33.42 C ATOM 1474 C GLY A 95 12.026 13.310 1.040 1.00 62.02 C ATOM 1475 O GLY A 95 12.938 14.105 1.273 1.00 42.21 O ATOM 0 H GLY A 95 11.013 12.391 -1.120 1.00 11.01 H new ATOM 0 HA2 GLY A 95 12.189 11.179 1.245 1.00 33.42 H new ATOM 0 HA3 GLY A 95 13.365 11.884 0.154 1.00 33.42 H new ATOM 1479 N THR A 96 10.746 13.589 1.281 1.00 71.14 N ATOM 1480 CA THR A 96 10.304 14.901 1.790 1.00 15.51 C ATOM 1481 C THR A 96 10.816 15.190 3.210 1.00 54.35 C ATOM 1482 O THR A 96 10.897 16.345 3.626 1.00 73.43 O ATOM 1483 CB THR A 96 8.760 15.020 1.786 1.00 4.43 C ATOM 1484 OG1 THR A 96 8.358 16.323 2.241 1.00 71.15 O ATOM 1485 CG2 THR A 96 8.120 13.955 2.673 1.00 73.04 C ATOM 0 H THR A 96 9.987 12.924 1.133 1.00 71.14 H new ATOM 0 HA THR A 96 10.733 15.637 1.111 1.00 15.51 H new ATOM 0 HB THR A 96 8.421 14.870 0.761 1.00 4.43 H new ATOM 0 HG1 THR A 96 7.380 16.385 2.232 1.00 71.15 H new ATOM 0 HG21 THR A 96 7.036 14.065 2.649 1.00 73.04 H new ATOM 0 HG22 THR A 96 8.392 12.965 2.307 1.00 73.04 H new ATOM 0 HG23 THR A 96 8.474 14.073 3.697 1.00 73.04 H new ATOM 1493 N GLY A 97 11.148 14.139 3.959 1.00 30.32 N ATOM 1494 CA GLY A 97 11.634 14.311 5.330 1.00 14.41 C ATOM 1495 C GLY A 97 10.508 14.402 6.363 1.00 71.22 C ATOM 1496 O GLY A 97 10.659 13.953 7.499 1.00 50.02 O ATOM 0 H GLY A 97 11.091 13.170 3.646 1.00 30.32 H new ATOM 0 HA2 GLY A 97 12.285 13.475 5.585 1.00 14.41 H new ATOM 0 HA3 GLY A 97 12.240 15.215 5.383 1.00 14.41 H new ATOM 1500 N GLU A 98 9.387 15.003 5.970 1.00 32.14 N ATOM 1501 CA GLU A 98 8.205 15.102 6.837 1.00 25.24 C ATOM 1502 C GLU A 98 7.358 13.820 6.798 1.00 11.43 C ATOM 1503 O GLU A 98 7.582 12.932 5.971 1.00 1.13 O ATOM 1504 CB GLU A 98 7.349 16.307 6.417 1.00 65.23 C ATOM 1505 CG GLU A 98 7.948 17.656 6.803 1.00 21.54 C ATOM 1506 CD GLU A 98 7.973 17.867 8.309 1.00 33.34 C ATOM 1507 OE1 GLU A 98 6.953 18.327 8.865 1.00 32.13 O ATOM 1508 OE2 GLU A 98 9.003 17.560 8.949 1.00 41.42 O ATOM 0 H GLU A 98 9.268 15.432 5.052 1.00 32.14 H new ATOM 0 HA GLU A 98 8.555 15.237 7.861 1.00 25.24 H new ATOM 0 HB2 GLU A 98 7.206 16.280 5.337 1.00 65.23 H new ATOM 0 HB3 GLU A 98 6.362 16.215 6.871 1.00 65.23 H new ATOM 0 HG2 GLU A 98 8.963 17.726 6.412 1.00 21.54 H new ATOM 0 HG3 GLU A 98 7.371 18.454 6.336 1.00 21.54 H new ATOM 1515 N ASP A 99 6.384 13.740 7.700 1.00 10.33 N ATOM 1516 CA ASP A 99 5.486 12.585 7.788 1.00 52.04 C ATOM 1517 C ASP A 99 4.458 12.572 6.642 1.00 35.44 C ATOM 1518 O ASP A 99 4.237 13.583 5.971 1.00 71.15 O ATOM 1519 CB ASP A 99 4.763 12.604 9.137 1.00 15.33 C ATOM 1520 CG ASP A 99 3.989 13.897 9.350 1.00 3.52 C ATOM 1521 OD1 ASP A 99 4.622 14.936 9.629 1.00 24.11 O ATOM 1522 OD2 ASP A 99 2.748 13.884 9.219 1.00 73.42 O ATOM 0 H ASP A 99 6.193 14.468 8.388 1.00 10.33 H new ATOM 0 HA ASP A 99 6.088 11.681 7.700 1.00 52.04 H new ATOM 0 HB2 ASP A 99 4.078 11.758 9.193 1.00 15.33 H new ATOM 0 HB3 ASP A 99 5.490 12.480 9.940 1.00 15.33 H new ATOM 1527 N VAL A 100 3.818 11.422 6.436 1.00 64.01 N ATOM 1528 CA VAL A 100 2.805 11.273 5.385 1.00 60.31 C ATOM 1529 C VAL A 100 1.663 10.333 5.816 1.00 1.23 C ATOM 1530 O VAL A 100 1.893 9.315 6.472 1.00 63.31 O ATOM 1531 CB VAL A 100 3.447 10.759 4.067 1.00 12.11 C ATOM 1532 CG1 VAL A 100 4.340 9.549 4.328 1.00 61.12 C ATOM 1533 CG2 VAL A 100 2.380 10.422 3.027 1.00 12.20 C ATOM 0 H VAL A 100 3.981 10.577 6.983 1.00 64.01 H new ATOM 0 HA VAL A 100 2.379 12.261 5.211 1.00 60.31 H new ATOM 0 HB VAL A 100 4.067 11.562 3.669 1.00 12.11 H new ATOM 0 HG11 VAL A 100 4.777 9.210 3.389 1.00 61.12 H new ATOM 0 HG12 VAL A 100 5.136 9.827 5.019 1.00 61.12 H new ATOM 0 HG13 VAL A 100 3.746 8.745 4.763 1.00 61.12 H new ATOM 0 HG21 VAL A 100 2.860 10.065 2.116 1.00 12.20 H new ATOM 0 HG22 VAL A 100 1.722 9.646 3.419 1.00 12.20 H new ATOM 0 HG23 VAL A 100 1.795 11.314 2.803 1.00 12.20 H new ATOM 1543 N LYS A 101 0.429 10.691 5.453 1.00 34.42 N ATOM 1544 CA LYS A 101 -0.746 9.864 5.760 1.00 1.43 C ATOM 1545 C LYS A 101 -1.289 9.173 4.497 1.00 54.53 C ATOM 1546 O LYS A 101 -1.524 9.819 3.471 1.00 3.31 O ATOM 1547 CB LYS A 101 -1.845 10.724 6.411 1.00 53.13 C ATOM 1548 CG LYS A 101 -3.089 9.933 6.822 1.00 32.54 C ATOM 1549 CD LYS A 101 -4.093 10.791 7.592 1.00 63.31 C ATOM 1550 CE LYS A 101 -4.642 11.941 6.751 1.00 60.11 C ATOM 1551 NZ LYS A 101 -5.601 12.781 7.522 1.00 20.23 N ATOM 0 H LYS A 101 0.215 11.549 4.945 1.00 34.42 H new ATOM 0 HA LYS A 101 -0.438 9.088 6.461 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -1.433 11.217 7.291 1.00 53.13 H new ATOM 0 HB3 LYS A 101 -2.139 11.509 5.714 1.00 53.13 H new ATOM 0 HG2 LYS A 101 -3.569 9.527 5.932 1.00 32.54 H new ATOM 0 HG3 LYS A 101 -2.791 9.085 7.439 1.00 32.54 H new ATOM 0 HD2 LYS A 101 -4.919 10.165 7.929 1.00 63.31 H new ATOM 0 HD3 LYS A 101 -3.614 11.194 8.484 1.00 63.31 H new ATOM 0 HE2 LYS A 101 -3.817 12.561 6.400 1.00 60.11 H new ATOM 0 HE3 LYS A 101 -5.139 11.540 5.867 1.00 60.11 H new ATOM 0 HZ1 LYS A 101 -5.952 13.551 6.917 1.00 20.23 H new ATOM 0 HZ2 LYS A 101 -6.401 12.195 7.836 1.00 20.23 H new ATOM 0 HZ3 LYS A 101 -5.120 13.184 8.352 1.00 20.23 H new ATOM 1565 N VAL A 102 -1.483 7.858 4.580 1.00 70.05 N ATOM 1566 CA VAL A 102 -1.967 7.059 3.444 1.00 25.12 C ATOM 1567 C VAL A 102 -3.372 6.471 3.710 1.00 64.45 C ATOM 1568 O VAL A 102 -3.662 5.968 4.801 1.00 31.05 O ATOM 1569 CB VAL A 102 -0.960 5.929 3.096 1.00 53.32 C ATOM 1570 CG1 VAL A 102 -0.625 5.089 4.327 1.00 64.42 C ATOM 1571 CG2 VAL A 102 -1.490 5.052 1.962 1.00 23.52 C ATOM 0 H VAL A 102 -1.312 7.315 5.427 1.00 70.05 H new ATOM 0 HA VAL A 102 -2.049 7.730 2.589 1.00 25.12 H new ATOM 0 HB VAL A 102 -0.038 6.400 2.754 1.00 53.32 H new ATOM 0 HG11 VAL A 102 0.082 4.306 4.052 1.00 64.42 H new ATOM 0 HG12 VAL A 102 -0.182 5.726 5.092 1.00 64.42 H new ATOM 0 HG13 VAL A 102 -1.536 4.635 4.716 1.00 64.42 H new ATOM 0 HG21 VAL A 102 -0.765 4.269 1.739 1.00 23.52 H new ATOM 0 HG22 VAL A 102 -2.434 4.598 2.264 1.00 23.52 H new ATOM 0 HG23 VAL A 102 -1.649 5.663 1.074 1.00 23.52 H new ATOM 1581 N ILE A 103 -4.236 6.541 2.694 1.00 34.14 N ATOM 1582 CA ILE A 103 -5.649 6.144 2.818 1.00 14.54 C ATOM 1583 C ILE A 103 -5.971 4.911 1.948 1.00 52.31 C ATOM 1584 O ILE A 103 -5.463 4.786 0.832 1.00 4.02 O ATOM 1585 CB ILE A 103 -6.579 7.307 2.372 1.00 44.00 C ATOM 1586 CG1 ILE A 103 -6.089 8.658 2.929 1.00 64.22 C ATOM 1587 CG2 ILE A 103 -8.020 7.038 2.798 1.00 11.40 C ATOM 1588 CD1 ILE A 103 -6.034 8.734 4.440 1.00 61.03 C ATOM 0 H ILE A 103 -3.981 6.873 1.764 1.00 34.14 H new ATOM 0 HA ILE A 103 -5.820 5.899 3.866 1.00 14.54 H new ATOM 0 HB ILE A 103 -6.546 7.363 1.284 1.00 44.00 H new ATOM 0 HG12 ILE A 103 -5.094 8.861 2.532 1.00 64.22 H new ATOM 0 HG13 ILE A 103 -6.746 9.447 2.562 1.00 64.22 H new ATOM 0 HG21 ILE A 103 -8.655 7.864 2.476 1.00 11.40 H new ATOM 0 HG22 ILE A 103 -8.368 6.113 2.339 1.00 11.40 H new ATOM 0 HG23 ILE A 103 -8.067 6.945 3.883 1.00 11.40 H new ATOM 0 HD11 ILE A 103 -5.679 9.719 4.742 1.00 61.03 H new ATOM 0 HD12 ILE A 103 -7.030 8.566 4.849 1.00 61.03 H new ATOM 0 HD13 ILE A 103 -5.353 7.971 4.818 1.00 61.03 H new ATOM 1600 N LEU A 104 -6.825 4.011 2.454 1.00 1.41 N ATOM 1601 CA LEU A 104 -7.274 2.840 1.677 1.00 41.34 C ATOM 1602 C LEU A 104 -8.805 2.786 1.547 1.00 3.24 C ATOM 1603 O LEU A 104 -9.509 2.486 2.513 1.00 10.32 O ATOM 1604 CB LEU A 104 -6.787 1.531 2.318 1.00 30.22 C ATOM 1605 CG LEU A 104 -5.292 1.219 2.158 1.00 52.23 C ATOM 1606 CD1 LEU A 104 -4.962 -0.125 2.797 1.00 45.01 C ATOM 1607 CD2 LEU A 104 -4.892 1.228 0.685 1.00 13.33 C ATOM 0 H LEU A 104 -7.219 4.068 3.393 1.00 1.41 H new ATOM 0 HA LEU A 104 -6.841 2.948 0.683 1.00 41.34 H new ATOM 0 HB2 LEU A 104 -7.019 1.562 3.382 1.00 30.22 H new ATOM 0 HB3 LEU A 104 -7.358 0.706 1.891 1.00 30.22 H new ATOM 0 HG LEU A 104 -4.721 1.995 2.668 1.00 52.23 H new ATOM 0 HD11 LEU A 104 -3.899 -0.334 2.676 1.00 45.01 H new ATOM 0 HD12 LEU A 104 -5.207 -0.093 3.859 1.00 45.01 H new ATOM 0 HD13 LEU A 104 -5.543 -0.910 2.314 1.00 45.01 H new ATOM 0 HD21 LEU A 104 -3.829 1.005 0.595 1.00 13.33 H new ATOM 0 HD22 LEU A 104 -5.468 0.475 0.147 1.00 13.33 H new ATOM 0 HD23 LEU A 104 -5.093 2.211 0.259 1.00 13.33 H new ATOM 1619 N LYS A 105 -9.318 3.069 0.349 1.00 23.15 N ATOM 1620 CA LYS A 105 -10.757 2.937 0.073 1.00 24.02 C ATOM 1621 C LYS A 105 -11.030 1.826 -0.954 1.00 14.51 C ATOM 1622 O LYS A 105 -10.330 1.700 -1.965 1.00 35.14 O ATOM 1623 CB LYS A 105 -11.351 4.275 -0.395 1.00 24.21 C ATOM 1624 CG LYS A 105 -11.426 5.322 0.718 1.00 31.25 C ATOM 1625 CD LYS A 105 -12.139 6.595 0.263 1.00 32.03 C ATOM 1626 CE LYS A 105 -12.327 7.584 1.411 1.00 50.51 C ATOM 1627 NZ LYS A 105 -11.035 7.972 2.038 1.00 51.02 N ATOM 0 H LYS A 105 -8.765 3.390 -0.445 1.00 23.15 H new ATOM 0 HA LYS A 105 -11.248 2.655 1.004 1.00 24.02 H new ATOM 0 HB2 LYS A 105 -10.747 4.667 -1.214 1.00 24.21 H new ATOM 0 HB3 LYS A 105 -12.352 4.102 -0.791 1.00 24.21 H new ATOM 0 HG2 LYS A 105 -11.949 4.901 1.576 1.00 31.25 H new ATOM 0 HG3 LYS A 105 -10.418 5.571 1.050 1.00 31.25 H new ATOM 0 HD2 LYS A 105 -11.564 7.068 -0.533 1.00 32.03 H new ATOM 0 HD3 LYS A 105 -13.111 6.336 -0.156 1.00 32.03 H new ATOM 0 HE2 LYS A 105 -12.831 8.476 1.040 1.00 50.51 H new ATOM 0 HE3 LYS A 105 -12.977 7.142 2.166 1.00 50.51 H new ATOM 0 HZ1 LYS A 105 -11.175 8.817 2.627 1.00 51.02 H new ATOM 0 HZ2 LYS A 105 -10.688 7.191 2.630 1.00 51.02 H new ATOM 0 HZ3 LYS A 105 -10.337 8.179 1.295 1.00 51.02 H new ATOM 1641 N ASN A 106 -12.051 1.022 -0.679 1.00 14.31 N ATOM 1642 CA ASN A 106 -12.347 -0.183 -1.459 1.00 32.24 C ATOM 1643 C ASN A 106 -13.367 0.078 -2.581 1.00 44.22 C ATOM 1644 O ASN A 106 -14.552 0.271 -2.314 1.00 33.11 O ATOM 1645 CB ASN A 106 -12.890 -1.262 -0.516 1.00 64.24 C ATOM 1646 CG ASN A 106 -11.977 -1.498 0.672 1.00 1.50 C ATOM 1647 OD1 ASN A 106 -12.042 -0.790 1.668 1.00 51.51 O ATOM 1648 ND2 ASN A 106 -11.131 -2.500 0.586 1.00 73.45 N ATOM 0 H ASN A 106 -12.700 1.184 0.091 1.00 14.31 H new ATOM 0 HA ASN A 106 -11.422 -0.509 -1.934 1.00 32.24 H new ATOM 0 HB2 ASN A 106 -13.877 -0.968 -0.160 1.00 64.24 H new ATOM 0 HB3 ASN A 106 -13.015 -2.194 -1.067 1.00 64.24 H new ATOM 0 HD21 ASN A 106 -10.504 -2.706 1.364 1.00 73.45 H new ATOM 0 HD22 ASN A 106 -11.102 -3.072 -0.258 1.00 73.45 H new ATOM 1655 N SER A 107 -12.896 0.077 -3.830 1.00 32.12 N ATOM 1656 CA SER A 107 -13.774 0.146 -5.018 1.00 65.14 C ATOM 1657 C SER A 107 -14.640 1.418 -5.062 1.00 12.01 C ATOM 1658 O SER A 107 -14.343 2.358 -5.803 1.00 73.13 O ATOM 1659 CB SER A 107 -14.671 -1.103 -5.094 1.00 44.13 C ATOM 1660 OG SER A 107 -15.563 -1.041 -6.197 1.00 11.20 O ATOM 0 H SER A 107 -11.902 0.029 -4.054 1.00 32.12 H new ATOM 0 HA SER A 107 -13.115 0.184 -5.885 1.00 65.14 H new ATOM 0 HB2 SER A 107 -14.049 -1.994 -5.179 1.00 44.13 H new ATOM 0 HB3 SER A 107 -15.241 -1.199 -4.170 1.00 44.13 H new ATOM 0 HG SER A 107 -16.116 -1.850 -6.216 1.00 11.20 H new ATOM 1666 N GLN A 108 -15.712 1.446 -4.272 1.00 72.20 N ATOM 1667 CA GLN A 108 -16.676 2.553 -4.301 1.00 11.13 C ATOM 1668 C GLN A 108 -16.181 3.758 -3.484 1.00 21.20 C ATOM 1669 O GLN A 108 -15.798 4.794 -4.033 1.00 12.43 O ATOM 1670 CB GLN A 108 -18.029 2.089 -3.741 1.00 2.02 C ATOM 1671 CG GLN A 108 -18.532 0.771 -4.318 1.00 13.32 C ATOM 1672 CD GLN A 108 -19.910 0.399 -3.800 1.00 3.35 C ATOM 1673 OE1 GLN A 108 -20.736 1.261 -3.515 1.00 75.24 O ATOM 1674 NE2 GLN A 108 -20.170 -0.882 -3.663 1.00 53.05 N ATOM 0 H GLN A 108 -15.938 0.713 -3.600 1.00 72.20 H new ATOM 0 HA GLN A 108 -16.787 2.862 -5.340 1.00 11.13 H new ATOM 0 HB2 GLN A 108 -17.945 1.989 -2.659 1.00 2.02 H new ATOM 0 HB3 GLN A 108 -18.772 2.863 -3.933 1.00 2.02 H new ATOM 0 HG2 GLN A 108 -18.563 0.842 -5.405 1.00 13.32 H new ATOM 0 HG3 GLN A 108 -17.827 -0.023 -4.070 1.00 13.32 H new ATOM 0 HE21 GLN A 108 -19.463 -1.575 -3.908 1.00 53.05 H new ATOM 0 HE22 GLN A 108 -21.079 -1.183 -3.311 1.00 53.05 H new ATOM 1683 N GLY A 109 -16.197 3.599 -2.165 1.00 3.44 N ATOM 1684 CA GLY A 109 -15.816 4.670 -1.248 1.00 70.11 C ATOM 1685 C GLY A 109 -15.674 4.164 0.183 1.00 42.14 C ATOM 1686 O GLY A 109 -15.004 4.782 1.013 1.00 73.40 O ATOM 0 H GLY A 109 -16.472 2.732 -1.703 1.00 3.44 H new ATOM 0 HA2 GLY A 109 -14.873 5.110 -1.574 1.00 70.11 H new ATOM 0 HA3 GLY A 109 -16.565 5.461 -1.281 1.00 70.11 H new ATOM 1690 N GLU A 110 -16.344 3.043 0.463 1.00 33.43 N ATOM 1691 CA GLU A 110 -16.184 2.299 1.720 1.00 0.21 C ATOM 1692 C GLU A 110 -14.699 2.163 2.106 1.00 25.12 C ATOM 1693 O GLU A 110 -13.860 1.820 1.275 1.00 2.21 O ATOM 1694 CB GLU A 110 -16.829 0.914 1.558 1.00 52.35 C ATOM 1695 CG GLU A 110 -16.339 0.156 0.323 1.00 31.33 C ATOM 1696 CD GLU A 110 -17.134 -1.110 0.033 1.00 73.22 C ATOM 1697 OE1 GLU A 110 -16.799 -2.172 0.596 1.00 3.05 O ATOM 1698 OE2 GLU A 110 -18.092 -1.050 -0.767 1.00 4.12 O ATOM 0 H GLU A 110 -17.017 2.622 -0.178 1.00 33.43 H new ATOM 0 HA GLU A 110 -16.677 2.846 2.524 1.00 0.21 H new ATOM 0 HB2 GLU A 110 -16.621 0.318 2.447 1.00 52.35 H new ATOM 0 HB3 GLU A 110 -17.911 1.030 1.498 1.00 52.35 H new ATOM 0 HG2 GLU A 110 -16.392 0.815 -0.543 1.00 31.33 H new ATOM 0 HG3 GLU A 110 -15.290 -0.106 0.460 1.00 31.33 H new ATOM 1705 N GLU A 111 -14.382 2.436 3.366 1.00 75.21 N ATOM 1706 CA GLU A 111 -12.986 2.497 3.815 1.00 23.45 C ATOM 1707 C GLU A 111 -12.700 1.482 4.932 1.00 63.14 C ATOM 1708 O GLU A 111 -13.423 1.417 5.929 1.00 73.11 O ATOM 1709 CB GLU A 111 -12.678 3.920 4.301 1.00 12.12 C ATOM 1710 CG GLU A 111 -11.226 4.149 4.705 1.00 21.31 C ATOM 1711 CD GLU A 111 -10.971 5.583 5.135 1.00 63.22 C ATOM 1712 OE1 GLU A 111 -10.797 6.452 4.251 1.00 73.34 O ATOM 1713 OE2 GLU A 111 -10.975 5.855 6.354 1.00 34.22 O ATOM 0 H GLU A 111 -15.068 2.619 4.098 1.00 75.21 H new ATOM 0 HA GLU A 111 -12.342 2.241 2.973 1.00 23.45 H new ATOM 0 HB2 GLU A 111 -12.938 4.624 3.511 1.00 12.12 H new ATOM 0 HB3 GLU A 111 -13.319 4.146 5.153 1.00 12.12 H new ATOM 0 HG2 GLU A 111 -10.967 3.475 5.521 1.00 21.31 H new ATOM 0 HG3 GLU A 111 -10.574 3.901 3.868 1.00 21.31 H new ATOM 1720 N VAL A 112 -11.646 0.685 4.755 1.00 41.01 N ATOM 1721 CA VAL A 112 -11.233 -0.289 5.775 1.00 2.45 C ATOM 1722 C VAL A 112 -10.313 0.340 6.836 1.00 34.24 C ATOM 1723 O VAL A 112 -10.387 -0.011 8.018 1.00 55.32 O ATOM 1724 CB VAL A 112 -10.518 -1.512 5.141 1.00 51.54 C ATOM 1725 CG1 VAL A 112 -11.497 -2.350 4.319 1.00 72.12 C ATOM 1726 CG2 VAL A 112 -9.330 -1.067 4.284 1.00 41.31 C ATOM 0 H VAL A 112 -11.062 0.692 3.919 1.00 41.01 H new ATOM 0 HA VAL A 112 -12.149 -0.623 6.262 1.00 2.45 H new ATOM 0 HB VAL A 112 -10.136 -2.135 5.950 1.00 51.54 H new ATOM 0 HG11 VAL A 112 -10.972 -3.201 3.885 1.00 72.12 H new ATOM 0 HG12 VAL A 112 -12.299 -2.709 4.964 1.00 72.12 H new ATOM 0 HG13 VAL A 112 -11.919 -1.739 3.521 1.00 72.12 H new ATOM 0 HG21 VAL A 112 -8.846 -1.942 3.851 1.00 41.31 H new ATOM 0 HG22 VAL A 112 -9.682 -0.414 3.485 1.00 41.31 H new ATOM 0 HG23 VAL A 112 -8.615 -0.527 4.905 1.00 41.31 H new ATOM 1736 N ALA A 113 -9.457 1.276 6.416 1.00 72.10 N ATOM 1737 CA ALA A 113 -8.505 1.916 7.331 1.00 24.32 C ATOM 1738 C ALA A 113 -7.714 3.051 6.662 1.00 12.05 C ATOM 1739 O ALA A 113 -7.522 3.070 5.443 1.00 31.11 O ATOM 1740 CB ALA A 113 -7.531 0.881 7.893 1.00 61.31 C ATOM 0 H ALA A 113 -9.403 1.607 5.453 1.00 72.10 H new ATOM 0 HA ALA A 113 -9.093 2.354 8.138 1.00 24.32 H new ATOM 0 HB1 ALA A 113 -6.831 1.370 8.570 1.00 61.31 H new ATOM 0 HB2 ALA A 113 -8.086 0.116 8.436 1.00 61.31 H new ATOM 0 HB3 ALA A 113 -6.980 0.417 7.074 1.00 61.31 H new ATOM 1746 N GLN A 114 -7.262 3.997 7.482 1.00 74.31 N ATOM 1747 CA GLN A 114 -6.342 5.053 7.042 1.00 15.04 C ATOM 1748 C GLN A 114 -5.280 5.312 8.122 1.00 24.43 C ATOM 1749 O GLN A 114 -5.605 5.497 9.297 1.00 4.42 O ATOM 1750 CB GLN A 114 -7.104 6.345 6.706 1.00 54.34 C ATOM 1751 CG GLN A 114 -8.047 6.830 7.804 1.00 25.43 C ATOM 1752 CD GLN A 114 -8.684 8.171 7.474 1.00 14.31 C ATOM 1753 OE1 GLN A 114 -8.084 9.014 6.818 1.00 22.52 O ATOM 1754 NE2 GLN A 114 -9.907 8.375 7.914 1.00 14.21 N ATOM 0 H GLN A 114 -7.520 4.057 8.467 1.00 74.31 H new ATOM 0 HA GLN A 114 -5.842 4.717 6.133 1.00 15.04 H new ATOM 0 HB2 GLN A 114 -6.381 7.132 6.492 1.00 54.34 H new ATOM 0 HB3 GLN A 114 -7.680 6.185 5.795 1.00 54.34 H new ATOM 0 HG2 GLN A 114 -8.830 6.088 7.960 1.00 25.43 H new ATOM 0 HG3 GLN A 114 -7.496 6.914 8.741 1.00 25.43 H new ATOM 0 HE21 GLN A 114 -10.380 7.653 8.458 1.00 14.21 H new ATOM 0 HE22 GLN A 114 -10.382 9.255 7.711 1.00 14.21 H new ATOM 1763 N ARG A 115 -4.011 5.326 7.721 1.00 11.13 N ATOM 1764 CA ARG A 115 -2.900 5.375 8.681 1.00 43.44 C ATOM 1765 C ARG A 115 -1.745 6.270 8.199 1.00 14.22 C ATOM 1766 O ARG A 115 -1.502 6.398 7.002 1.00 42.33 O ATOM 1767 CB ARG A 115 -2.411 3.939 8.960 1.00 33.32 C ATOM 1768 CG ARG A 115 -1.010 3.845 9.566 1.00 2.24 C ATOM 1769 CD ARG A 115 -0.722 2.454 10.134 1.00 12.11 C ATOM 1770 NE ARG A 115 0.710 2.151 10.186 1.00 33.30 N ATOM 1771 CZ ARG A 115 1.615 2.862 10.811 1.00 50.54 C ATOM 1772 NH1 ARG A 115 1.297 3.922 11.487 1.00 11.21 N ATOM 1773 NH2 ARG A 115 2.849 2.491 10.759 1.00 51.11 N ATOM 0 H ARG A 115 -3.722 5.304 6.743 1.00 11.13 H new ATOM 0 HA ARG A 115 -3.266 5.825 9.604 1.00 43.44 H new ATOM 0 HB2 ARG A 115 -3.117 3.455 9.635 1.00 33.32 H new ATOM 0 HB3 ARG A 115 -2.426 3.377 8.026 1.00 33.32 H new ATOM 0 HG2 ARG A 115 -0.269 4.086 8.804 1.00 2.24 H new ATOM 0 HG3 ARG A 115 -0.907 4.588 10.357 1.00 2.24 H new ATOM 0 HD2 ARG A 115 -1.141 2.382 11.138 1.00 12.11 H new ATOM 0 HD3 ARG A 115 -1.226 1.705 9.523 1.00 12.11 H new ATOM 0 HE ARG A 115 1.029 1.316 9.694 1.00 33.30 H new ATOM 0 HH11 ARG A 115 0.323 4.219 11.541 1.00 11.21 H new ATOM 0 HH12 ARG A 115 2.021 4.458 11.965 1.00 11.21 H new ATOM 0 HH21 ARG A 115 3.108 1.654 10.236 1.00 51.11 H new ATOM 0 HH22 ARG A 115 3.566 3.034 11.241 1.00 51.11 H new ATOM 1787 N SER A 116 -1.051 6.899 9.148 1.00 4.11 N ATOM 1788 CA SER A 116 0.103 7.757 8.839 1.00 4.51 C ATOM 1789 C SER A 116 1.425 7.083 9.236 1.00 44.05 C ATOM 1790 O SER A 116 1.431 6.055 9.912 1.00 13.03 O ATOM 1791 CB SER A 116 -0.019 9.099 9.573 1.00 4.31 C ATOM 1792 OG SER A 116 0.004 8.921 10.984 1.00 43.42 O ATOM 0 H SER A 116 -1.266 6.832 10.143 1.00 4.11 H new ATOM 0 HA SER A 116 0.107 7.925 7.762 1.00 4.51 H new ATOM 0 HB2 SER A 116 0.798 9.755 9.274 1.00 4.31 H new ATOM 0 HB3 SER A 116 -0.946 9.592 9.282 1.00 4.31 H new ATOM 0 HG SER A 116 -0.074 9.793 11.425 1.00 43.42 H new ATOM 1798 N THR A 117 2.541 7.671 8.815 1.00 65.34 N ATOM 1799 CA THR A 117 3.873 7.143 9.150 1.00 55.11 C ATOM 1800 C THR A 117 4.295 7.510 10.579 1.00 54.34 C ATOM 1801 O THR A 117 4.167 8.661 11.000 1.00 3.22 O ATOM 1802 CB THR A 117 4.950 7.670 8.176 1.00 73.34 C ATOM 1803 OG1 THR A 117 4.951 9.110 8.169 1.00 2.03 O ATOM 1804 CG2 THR A 117 4.716 7.144 6.764 1.00 12.32 C ATOM 0 H THR A 117 2.556 8.514 8.241 1.00 65.34 H new ATOM 0 HA THR A 117 3.796 6.059 9.066 1.00 55.11 H new ATOM 0 HB THR A 117 5.921 7.312 8.519 1.00 73.34 H new ATOM 0 HG1 THR A 117 4.750 9.442 9.069 1.00 2.03 H new ATOM 0 HG21 THR A 117 5.488 7.531 6.099 1.00 12.32 H new ATOM 0 HG22 THR A 117 4.755 6.055 6.770 1.00 12.32 H new ATOM 0 HG23 THR A 117 3.737 7.470 6.412 1.00 12.32 H new ATOM 1812 N VAL A 118 4.819 6.532 11.313 1.00 3.01 N ATOM 1813 CA VAL A 118 5.263 6.751 12.695 1.00 22.52 C ATOM 1814 C VAL A 118 6.558 7.583 12.746 1.00 44.14 C ATOM 1815 O VAL A 118 7.493 7.348 11.978 1.00 74.13 O ATOM 1816 CB VAL A 118 5.490 5.405 13.433 1.00 23.33 C ATOM 1817 CG1 VAL A 118 5.998 5.634 14.857 1.00 43.33 C ATOM 1818 CG2 VAL A 118 4.208 4.573 13.449 1.00 1.13 C ATOM 0 H VAL A 118 4.948 5.578 10.977 1.00 3.01 H new ATOM 0 HA VAL A 118 4.469 7.304 13.197 1.00 22.52 H new ATOM 0 HB VAL A 118 6.254 4.852 12.887 1.00 23.33 H new ATOM 0 HG11 VAL A 118 6.148 4.673 15.349 1.00 43.33 H new ATOM 0 HG12 VAL A 118 6.943 6.176 14.823 1.00 43.33 H new ATOM 0 HG13 VAL A 118 5.266 6.217 15.415 1.00 43.33 H new ATOM 0 HG21 VAL A 118 4.390 3.634 13.971 1.00 1.13 H new ATOM 0 HG22 VAL A 118 3.421 5.127 13.962 1.00 1.13 H new ATOM 0 HG23 VAL A 118 3.897 4.364 12.425 1.00 1.13 H new ATOM 1828 N PHE A 119 6.609 8.558 13.654 1.00 4.54 N ATOM 1829 CA PHE A 119 7.798 9.406 13.808 1.00 1.52 C ATOM 1830 C PHE A 119 8.973 8.625 14.424 1.00 71.21 C ATOM 1831 O PHE A 119 9.156 8.609 15.644 1.00 51.41 O ATOM 1832 CB PHE A 119 7.475 10.643 14.664 1.00 2.43 C ATOM 1833 CG PHE A 119 6.433 11.549 14.057 1.00 43.12 C ATOM 1834 CD1 PHE A 119 6.776 12.452 13.062 1.00 40.22 C ATOM 1835 CD2 PHE A 119 5.114 11.499 14.483 1.00 73.43 C ATOM 1836 CE1 PHE A 119 5.825 13.283 12.506 1.00 14.31 C ATOM 1837 CE2 PHE A 119 4.159 12.329 13.928 1.00 40.35 C ATOM 1838 CZ PHE A 119 4.515 13.222 12.938 1.00 42.14 C ATOM 0 H PHE A 119 5.846 8.782 14.293 1.00 4.54 H new ATOM 0 HA PHE A 119 8.098 9.734 12.813 1.00 1.52 H new ATOM 0 HB2 PHE A 119 7.131 10.315 15.645 1.00 2.43 H new ATOM 0 HB3 PHE A 119 8.391 11.213 14.822 1.00 2.43 H new ATOM 0 HD1 PHE A 119 7.799 12.505 12.719 1.00 40.22 H new ATOM 0 HD2 PHE A 119 4.830 10.803 15.258 1.00 73.43 H new ATOM 0 HE1 PHE A 119 6.106 13.982 11.732 1.00 14.31 H new ATOM 0 HE2 PHE A 119 3.135 12.279 14.269 1.00 40.35 H new ATOM 0 HZ PHE A 119 3.771 13.872 12.502 1.00 42.14 H new ATOM 1848 N LYS A 120 9.748 7.954 13.573 1.00 51.13 N ATOM 1849 CA LYS A 120 10.937 7.217 14.017 1.00 30.21 C ATOM 1850 C LYS A 120 12.200 8.077 13.837 1.00 22.40 C ATOM 1851 O LYS A 120 12.652 8.313 12.714 1.00 75.21 O ATOM 1852 CB LYS A 120 11.058 5.895 13.237 1.00 22.12 C ATOM 1853 CG LYS A 120 12.073 4.907 13.820 1.00 74.55 C ATOM 1854 CD LYS A 120 11.961 3.533 13.156 1.00 74.04 C ATOM 1855 CE LYS A 120 12.780 2.467 13.883 1.00 32.21 C ATOM 1856 NZ LYS A 120 14.243 2.713 13.790 1.00 63.43 N ATOM 0 H LYS A 120 9.576 7.904 12.569 1.00 51.13 H new ATOM 0 HA LYS A 120 10.835 6.985 15.077 1.00 30.21 H new ATOM 0 HB2 LYS A 120 10.080 5.415 13.205 1.00 22.12 H new ATOM 0 HB3 LYS A 120 11.337 6.119 12.207 1.00 22.12 H new ATOM 0 HG2 LYS A 120 13.082 5.297 13.684 1.00 74.55 H new ATOM 0 HG3 LYS A 120 11.911 4.808 14.893 1.00 74.55 H new ATOM 0 HD2 LYS A 120 10.915 3.229 13.130 1.00 74.04 H new ATOM 0 HD3 LYS A 120 12.298 3.604 12.122 1.00 74.04 H new ATOM 0 HE2 LYS A 120 12.485 2.439 14.932 1.00 32.21 H new ATOM 0 HE3 LYS A 120 12.552 1.488 13.462 1.00 32.21 H new ATOM 0 HZ1 LYS A 120 14.714 1.865 13.414 1.00 63.43 H new ATOM 0 HZ2 LYS A 120 14.420 3.518 13.155 1.00 63.43 H new ATOM 0 HZ3 LYS A 120 14.620 2.928 14.735 1.00 63.43 H new ATOM 1870 N THR A 121 12.753 8.556 14.950 1.00 52.41 N ATOM 1871 CA THR A 121 13.926 9.450 14.924 1.00 74.41 C ATOM 1872 C THR A 121 15.245 8.669 14.895 1.00 64.42 C ATOM 1873 O THR A 121 16.306 9.228 14.619 1.00 23.14 O ATOM 1874 CB THR A 121 13.942 10.400 16.147 1.00 42.51 C ATOM 1875 OG1 THR A 121 13.977 9.635 17.365 1.00 23.33 O ATOM 1876 CG2 THR A 121 12.719 11.314 16.154 1.00 75.14 C ATOM 0 H THR A 121 12.412 8.343 15.887 1.00 52.41 H new ATOM 0 HA THR A 121 13.838 10.034 14.008 1.00 74.41 H new ATOM 0 HB THR A 121 14.835 11.020 16.077 1.00 42.51 H new ATOM 0 HG1 THR A 121 13.989 10.243 18.133 1.00 23.33 H new ATOM 0 HG21 THR A 121 12.759 11.969 17.024 1.00 75.14 H new ATOM 0 HG22 THR A 121 12.710 11.917 15.246 1.00 75.14 H new ATOM 0 HG23 THR A 121 11.813 10.709 16.196 1.00 75.14 H new ATOM 1884 N THR A 122 15.178 7.382 15.210 1.00 14.43 N ATOM 1885 CA THR A 122 16.357 6.504 15.159 1.00 72.23 C ATOM 1886 C THR A 122 15.956 5.070 14.779 1.00 52.22 C ATOM 1887 O THR A 122 16.070 4.709 13.588 1.00 37.82 O ATOM 1888 CB THR A 122 17.114 6.477 16.511 1.00 61.51 C ATOM 1889 OG1 THR A 122 17.433 7.814 16.932 1.00 65.15 O ATOM 1890 CG2 THR A 122 18.399 5.662 16.406 1.00 25.14 C ATOM 1891 OXT THR A 122 15.499 4.316 15.665 1.00 37.82 O ATOM 0 H THR A 122 14.321 6.915 15.505 1.00 14.43 H new ATOM 0 HA THR A 122 17.020 6.913 14.397 1.00 72.23 H new ATOM 0 HB THR A 122 16.461 6.008 17.247 1.00 61.51 H new ATOM 0 HG1 THR A 122 17.909 7.783 17.788 1.00 65.15 H new ATOM 0 HG21 THR A 122 18.909 5.661 17.369 1.00 25.14 H new ATOM 0 HG22 THR A 122 18.158 4.638 16.122 1.00 25.14 H new ATOM 0 HG23 THR A 122 19.050 6.104 15.652 1.00 25.14 H new TER 1899 THR A 122