USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 827 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 68 THR OG1 : rot -70:sc= 1.25 USER MOD Set 1.2: A 70 MET CE :methyl -171:sc= -0.599 (180deg=-0.708) USER MOD Set 2.1: A 43 GLN : amide:sc= -1.34 K(o=-1.4,f=-8.4!) USER MOD Set 2.2: A 44 GLN : amide:sc= -0.0439 K(o=-1.4,f=-2.5) USER MOD Set 3.1: A 9 CYS SG : rot 180:sc=0.000334 USER MOD Set 3.2: A 13 SER OG : rot 86:sc= 0.848 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 10 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0384 X(o=-0.038,f=-0.51) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.0187 K(o=0.019,f=-0.67) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.7) USER MOD Single : A 29 HIS : no HD1:sc= -0.95 K(o=-0.95,f=-3) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0919 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.0047) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.447 USER MOD Single : A 56 GLN : amide:sc= -0.375 X(o=-0.37,f=-0.49) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.18) USER MOD Single : A 62 LYS NZ :NH3+ -142:sc= -0.0882 (180deg=-0.351) USER MOD Single : A 66 SER OG : rot 88:sc= 0.987 USER MOD Single : A 67 THR OG1 : rot -35:sc= 0.0669 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 78 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.19) USER MOD Single : A 84 GLN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 88:sc= 1.21 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot -90:sc= -0.522 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.144 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.570 -2.000 -1.045 1.00 0.00 N ATOM 2 CA MET A 1 1.475 -1.666 -2.138 1.00 0.00 C ATOM 3 C MET A 1 0.924 -2.160 -3.471 1.00 0.00 C ATOM 4 O MET A 1 0.555 -3.327 -3.606 1.00 0.00 O ATOM 5 CB MET A 1 2.857 -2.272 -1.887 1.00 0.00 C ATOM 6 CG MET A 1 3.995 -1.457 -2.481 1.00 0.00 C ATOM 7 SD MET A 1 4.639 -0.224 -1.334 1.00 0.00 S ATOM 8 CE MET A 1 5.926 0.525 -2.329 1.00 0.00 C ATOM 0 H1 MET A 1 0.966 -1.654 -0.148 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.354 -1.553 -1.211 1.00 0.00 H new ATOM 0 H3 MET A 1 0.451 -3.032 -0.995 1.00 0.00 H new ATOM 0 HA MET A 1 1.565 -0.581 -2.183 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.013 -2.369 -0.813 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.885 -3.278 -2.305 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.801 -2.128 -2.777 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.646 -0.959 -3.386 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.419 1.310 -1.755 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.657 -0.233 -2.609 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.486 0.955 -3.229 1.00 0.00 H new ATOM 18 N ASP A 2 0.871 -1.267 -4.452 1.00 0.00 N ATOM 19 CA ASP A 2 0.365 -1.613 -5.776 1.00 0.00 C ATOM 20 C ASP A 2 1.422 -2.360 -6.583 1.00 0.00 C ATOM 21 O ASP A 2 2.615 -2.079 -6.472 1.00 0.00 O ATOM 22 CB ASP A 2 -0.070 -0.352 -6.525 1.00 0.00 C ATOM 23 CG ASP A 2 -1.116 -0.640 -7.584 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.994 -1.493 -7.334 1.00 0.00 O ATOM 25 OD2 ASP A 2 -1.057 -0.012 -8.661 1.00 0.00 O ATOM 0 H ASP A 2 1.172 -0.297 -4.356 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.498 -2.266 -5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.468 0.371 -5.813 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.800 0.107 -6.994 1.00 0.00 H new ATOM 30 N ASN A 3 0.975 -3.313 -7.394 1.00 0.00 N ATOM 31 CA ASN A 3 1.883 -4.103 -8.219 1.00 0.00 C ATOM 32 C ASN A 3 2.665 -3.208 -9.176 1.00 0.00 C ATOM 33 O ASN A 3 3.857 -3.416 -9.402 1.00 0.00 O ATOM 34 CB ASN A 3 1.103 -5.155 -9.010 1.00 0.00 C ATOM 35 CG ASN A 3 0.650 -6.312 -8.141 1.00 0.00 C ATOM 36 OD1 ASN A 3 0.012 -6.114 -7.107 1.00 0.00 O ATOM 37 ND2 ASN A 3 0.979 -7.529 -8.558 1.00 0.00 N ATOM 0 H ASN A 3 -0.010 -3.557 -7.498 1.00 0.00 H new ATOM 0 HA ASN A 3 2.590 -4.605 -7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.233 -4.688 -9.471 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.727 -5.534 -9.819 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.702 -8.347 -8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.509 -7.646 -9.422 1.00 0.00 H new ATOM 44 N ARG A 4 1.986 -2.211 -9.734 1.00 0.00 N ATOM 45 CA ARG A 4 2.617 -1.285 -10.667 1.00 0.00 C ATOM 46 C ARG A 4 3.711 -0.478 -9.975 1.00 0.00 C ATOM 47 O ARG A 4 4.814 -0.328 -10.501 1.00 0.00 O ATOM 48 CB ARG A 4 1.573 -0.341 -11.265 1.00 0.00 C ATOM 49 CG ARG A 4 0.759 -0.965 -12.387 1.00 0.00 C ATOM 50 CD ARG A 4 -0.432 -1.741 -11.847 1.00 0.00 C ATOM 51 NE ARG A 4 -1.227 -2.337 -12.917 1.00 0.00 N ATOM 52 CZ ARG A 4 -2.240 -3.170 -12.703 1.00 0.00 C ATOM 53 NH1 ARG A 4 -2.579 -3.502 -11.465 1.00 0.00 N ATOM 54 NH2 ARG A 4 -2.916 -3.671 -13.728 1.00 0.00 N ATOM 0 H ARG A 4 0.999 -2.024 -9.556 1.00 0.00 H new ATOM 0 HA ARG A 4 3.071 -1.868 -11.468 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.897 -0.014 -10.475 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.075 0.549 -11.644 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.410 -0.184 -13.062 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.394 -1.631 -12.971 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.080 -2.525 -11.177 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.061 -1.075 -11.256 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.992 -2.101 -13.881 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.062 -3.118 -10.674 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.357 -4.142 -11.303 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.659 -3.417 -14.682 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.693 -4.310 -13.563 1.00 0.00 H new ATOM 68 N VAL A 5 3.398 0.041 -8.792 1.00 0.00 N ATOM 69 CA VAL A 5 4.354 0.833 -8.027 1.00 0.00 C ATOM 70 C VAL A 5 5.627 0.041 -7.750 1.00 0.00 C ATOM 71 O VAL A 5 6.731 0.585 -7.793 1.00 0.00 O ATOM 72 CB VAL A 5 3.753 1.301 -6.689 1.00 0.00 C ATOM 73 CG1 VAL A 5 4.772 2.106 -5.897 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.489 2.113 -6.928 1.00 0.00 C ATOM 0 H VAL A 5 2.490 -0.073 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 5 4.597 1.706 -8.633 1.00 0.00 H new ATOM 0 HB VAL A 5 3.487 0.421 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.329 2.428 -4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.646 1.487 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.073 2.981 -6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.078 2.436 -5.972 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.727 2.987 -7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.755 1.499 -7.450 1.00 0.00 H new ATOM 84 N ARG A 6 5.465 -1.248 -7.467 1.00 0.00 N ATOM 85 CA ARG A 6 6.602 -2.116 -7.182 1.00 0.00 C ATOM 86 C ARG A 6 7.616 -2.075 -8.322 1.00 0.00 C ATOM 87 O ARG A 6 8.819 -1.964 -8.090 1.00 0.00 O ATOM 88 CB ARG A 6 6.129 -3.553 -6.957 1.00 0.00 C ATOM 89 CG ARG A 6 7.076 -4.379 -6.101 1.00 0.00 C ATOM 90 CD ARG A 6 6.720 -4.284 -4.626 1.00 0.00 C ATOM 91 NE ARG A 6 7.513 -5.200 -3.811 1.00 0.00 N ATOM 92 CZ ARG A 6 7.611 -5.112 -2.489 1.00 0.00 C ATOM 93 NH1 ARG A 6 6.967 -4.154 -1.836 1.00 0.00 N ATOM 94 NH2 ARG A 6 8.352 -5.983 -1.818 1.00 0.00 N ATOM 0 H ARG A 6 4.558 -1.714 -7.429 1.00 0.00 H new ATOM 0 HA ARG A 6 7.086 -1.754 -6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.148 -3.534 -6.483 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.006 -4.042 -7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.040 -5.421 -6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.099 -4.035 -6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.878 -3.262 -4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.661 -4.506 -4.494 1.00 0.00 H new ATOM 0 HE ARG A 6 8.020 -5.949 -4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.395 -3.483 -2.349 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.044 -4.088 -0.821 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.848 -6.722 -2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.426 -5.914 -0.803 1.00 0.00 H new ATOM 108 N GLU A 7 7.120 -2.168 -9.552 1.00 0.00 N ATOM 109 CA GLU A 7 7.983 -2.143 -10.726 1.00 0.00 C ATOM 110 C GLU A 7 8.684 -0.794 -10.859 1.00 0.00 C ATOM 111 O GLU A 7 9.832 -0.718 -11.294 1.00 0.00 O ATOM 112 CB GLU A 7 7.171 -2.435 -11.990 1.00 0.00 C ATOM 113 CG GLU A 7 7.097 -3.912 -12.339 1.00 0.00 C ATOM 114 CD GLU A 7 8.467 -4.541 -12.506 1.00 0.00 C ATOM 115 OE1 GLU A 7 9.323 -3.928 -13.178 1.00 0.00 O ATOM 116 OE2 GLU A 7 8.683 -5.646 -11.965 1.00 0.00 O ATOM 0 H GLU A 7 6.126 -2.261 -9.761 1.00 0.00 H new ATOM 0 HA GLU A 7 8.742 -2.916 -10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.160 -2.050 -11.859 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.612 -1.894 -12.828 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.552 -4.440 -11.556 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.530 -4.036 -13.261 1.00 0.00 H new ATOM 123 N ALA A 8 7.982 0.270 -10.481 1.00 0.00 N ATOM 124 CA ALA A 8 8.536 1.616 -10.556 1.00 0.00 C ATOM 125 C ALA A 8 9.809 1.733 -9.725 1.00 0.00 C ATOM 126 O ALA A 8 10.748 2.433 -10.106 1.00 0.00 O ATOM 127 CB ALA A 8 7.506 2.637 -10.093 1.00 0.00 C ATOM 0 H ALA A 8 7.029 0.225 -10.120 1.00 0.00 H new ATOM 0 HA ALA A 8 8.792 1.819 -11.596 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.933 3.638 -10.154 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.624 2.579 -10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.222 2.426 -9.062 1.00 0.00 H new ATOM 133 N CYS A 9 9.834 1.045 -8.589 1.00 0.00 N ATOM 134 CA CYS A 9 10.992 1.073 -7.703 1.00 0.00 C ATOM 135 C CYS A 9 12.235 0.552 -8.417 1.00 0.00 C ATOM 136 O CYS A 9 13.346 1.020 -8.169 1.00 0.00 O ATOM 137 CB CYS A 9 10.722 0.239 -6.450 1.00 0.00 C ATOM 138 SG CYS A 9 12.156 0.053 -5.364 1.00 0.00 S ATOM 0 H CYS A 9 9.065 0.461 -8.260 1.00 0.00 H new ATOM 0 HA CYS A 9 11.170 2.108 -7.410 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.911 0.701 -5.887 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.378 -0.750 -6.752 1.00 0.00 H new ATOM 0 HG CYS A 9 11.828 -0.666 -4.332 1.00 0.00 H new ATOM 144 N GLN A 10 12.039 -0.419 -9.303 1.00 0.00 N ATOM 145 CA GLN A 10 13.145 -1.005 -10.051 1.00 0.00 C ATOM 146 C GLN A 10 13.818 0.039 -10.935 1.00 0.00 C ATOM 147 O GLN A 10 15.044 0.150 -10.960 1.00 0.00 O ATOM 148 CB GLN A 10 12.649 -2.172 -10.906 1.00 0.00 C ATOM 149 CG GLN A 10 11.937 -3.252 -10.108 1.00 0.00 C ATOM 150 CD GLN A 10 12.898 -4.240 -9.477 1.00 0.00 C ATOM 151 OE1 GLN A 10 12.922 -4.408 -8.257 1.00 0.00 O ATOM 152 NE2 GLN A 10 13.697 -4.901 -10.306 1.00 0.00 N ATOM 0 H GLN A 10 11.125 -0.816 -9.520 1.00 0.00 H new ATOM 0 HA GLN A 10 13.879 -1.375 -9.335 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.971 -1.790 -11.669 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.497 -2.616 -11.426 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.337 -2.785 -9.327 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.249 -3.787 -10.762 1.00 0.00 H new ATOM 0 HE21 GLN A 10 13.643 -4.731 -11.310 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.364 -5.579 -9.939 1.00 0.00 H new ATOM 161 N TYR A 11 13.009 0.803 -11.660 1.00 0.00 N ATOM 162 CA TYR A 11 13.526 1.837 -12.549 1.00 0.00 C ATOM 163 C TYR A 11 14.128 2.989 -11.751 1.00 0.00 C ATOM 164 O TYR A 11 15.233 3.449 -12.041 1.00 0.00 O ATOM 165 CB TYR A 11 12.414 2.359 -13.460 1.00 0.00 C ATOM 166 CG TYR A 11 12.809 3.579 -14.261 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.926 3.560 -15.087 1.00 0.00 C ATOM 168 CD2 TYR A 11 12.066 4.751 -14.192 1.00 0.00 C ATOM 169 CE1 TYR A 11 14.292 4.672 -15.820 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.423 5.867 -14.922 1.00 0.00 C ATOM 171 CZ TYR A 11 13.537 5.823 -15.734 1.00 0.00 C ATOM 172 OH TYR A 11 13.897 6.933 -16.464 1.00 0.00 O ATOM 0 H TYR A 11 11.992 0.726 -11.650 1.00 0.00 H new ATOM 0 HA TYR A 11 14.311 1.394 -13.163 1.00 0.00 H new ATOM 0 HB2 TYR A 11 12.115 1.566 -14.146 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.542 2.600 -12.853 1.00 0.00 H new ATOM 0 HD1 TYR A 11 14.519 2.660 -15.157 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.194 4.790 -13.556 1.00 0.00 H new ATOM 0 HE1 TYR A 11 15.164 4.640 -16.457 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.833 6.769 -14.858 1.00 0.00 H new ATOM 0 HH TYR A 11 13.261 7.658 -16.292 1.00 0.00 H new ATOM 182 N ILE A 12 13.394 3.450 -10.744 1.00 0.00 N ATOM 183 CA ILE A 12 13.855 4.548 -9.903 1.00 0.00 C ATOM 184 C ILE A 12 15.148 4.181 -9.181 1.00 0.00 C ATOM 185 O ILE A 12 16.038 5.016 -9.017 1.00 0.00 O ATOM 186 CB ILE A 12 12.793 4.943 -8.860 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.494 5.357 -9.555 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.310 6.068 -7.977 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.298 5.390 -8.629 1.00 0.00 C ATOM 0 H ILE A 12 12.478 3.080 -10.491 1.00 0.00 H new ATOM 0 HA ILE A 12 14.037 5.396 -10.563 1.00 0.00 H new ATOM 0 HB ILE A 12 12.586 4.079 -8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.627 6.344 -9.999 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.292 4.665 -10.372 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.548 6.336 -7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.211 5.739 -7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.542 6.937 -8.593 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.413 5.691 -9.189 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.139 4.399 -8.205 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.480 6.104 -7.825 1.00 0.00 H new ATOM 201 N SER A 13 15.245 2.926 -8.754 1.00 0.00 N ATOM 202 CA SER A 13 16.429 2.449 -8.048 1.00 0.00 C ATOM 203 C SER A 13 17.643 2.435 -8.972 1.00 0.00 C ATOM 204 O SER A 13 18.732 2.866 -8.590 1.00 0.00 O ATOM 205 CB SER A 13 16.184 1.046 -7.489 1.00 0.00 C ATOM 206 OG SER A 13 15.355 1.093 -6.340 1.00 0.00 O ATOM 0 H SER A 13 14.519 2.222 -8.884 1.00 0.00 H new ATOM 0 HA SER A 13 16.630 3.132 -7.223 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.718 0.423 -8.252 1.00 0.00 H new ATOM 0 HB3 SER A 13 17.136 0.581 -7.235 1.00 0.00 H new ATOM 0 HG SER A 13 14.414 1.084 -6.615 1.00 0.00 H new ATOM 212 N ASP A 14 17.448 1.937 -10.188 1.00 0.00 N ATOM 213 CA ASP A 14 18.526 1.868 -11.167 1.00 0.00 C ATOM 214 C ASP A 14 18.964 3.265 -11.593 1.00 0.00 C ATOM 215 O ASP A 14 20.153 3.524 -11.783 1.00 0.00 O ATOM 216 CB ASP A 14 18.082 1.064 -12.390 1.00 0.00 C ATOM 217 CG ASP A 14 18.109 -0.431 -12.141 1.00 0.00 C ATOM 218 OD1 ASP A 14 19.210 -0.976 -11.916 1.00 0.00 O ATOM 219 OD2 ASP A 14 17.029 -1.057 -12.171 1.00 0.00 O ATOM 0 H ASP A 14 16.554 1.575 -10.519 1.00 0.00 H new ATOM 0 HA ASP A 14 19.375 1.367 -10.701 1.00 0.00 H new ATOM 0 HB2 ASP A 14 17.073 1.364 -12.672 1.00 0.00 H new ATOM 0 HB3 ASP A 14 18.732 1.301 -13.232 1.00 0.00 H new ATOM 224 N HIS A 15 17.996 4.164 -11.743 1.00 0.00 N ATOM 225 CA HIS A 15 18.282 5.536 -12.148 1.00 0.00 C ATOM 226 C HIS A 15 18.408 6.446 -10.930 1.00 0.00 C ATOM 227 O HIS A 15 18.319 7.669 -11.044 1.00 0.00 O ATOM 228 CB HIS A 15 17.183 6.055 -13.076 1.00 0.00 C ATOM 229 CG HIS A 15 17.433 5.760 -14.523 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.431 6.733 -15.500 1.00 0.00 N ATOM 231 CD2 HIS A 15 17.694 4.593 -15.156 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.679 6.177 -16.672 1.00 0.00 C ATOM 233 NE2 HIS A 15 17.843 4.879 -16.491 1.00 0.00 N ATOM 0 H HIS A 15 17.007 3.967 -11.590 1.00 0.00 H new ATOM 0 HA HIS A 15 19.232 5.541 -12.683 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.231 5.612 -12.782 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.087 7.133 -12.945 1.00 0.00 H new ATOM 0 HD2 HIS A 15 17.771 3.618 -14.697 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.738 6.696 -17.618 1.00 0.00 H new ATOM 0 HE2 HIS A 15 18.047 4.199 -17.224 1.00 0.00 H new ATOM 241 N LEU A 16 18.615 5.842 -9.765 1.00 0.00 N ATOM 242 CA LEU A 16 18.752 6.599 -8.525 1.00 0.00 C ATOM 243 C LEU A 16 19.969 7.517 -8.580 1.00 0.00 C ATOM 244 O LEU A 16 20.018 8.539 -7.897 1.00 0.00 O ATOM 245 CB LEU A 16 18.871 5.646 -7.334 1.00 0.00 C ATOM 246 CG LEU A 16 18.857 6.296 -5.950 1.00 0.00 C ATOM 247 CD1 LEU A 16 17.451 6.282 -5.369 1.00 0.00 C ATOM 248 CD2 LEU A 16 19.829 5.588 -5.018 1.00 0.00 C ATOM 0 H LEU A 16 18.692 4.831 -9.653 1.00 0.00 H new ATOM 0 HA LEU A 16 17.861 7.214 -8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.052 4.929 -7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 16 19.797 5.080 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 16 19.175 7.333 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 16 17.460 6.748 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.780 6.835 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 16 17.104 5.252 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 16 19.806 6.064 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 16 19.542 4.541 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.837 5.651 -5.428 1.00 0.00 H new ATOM 260 N ALA A 17 20.948 7.145 -9.398 1.00 0.00 N ATOM 261 CA ALA A 17 22.163 7.937 -9.545 1.00 0.00 C ATOM 262 C ALA A 17 22.026 8.946 -10.680 1.00 0.00 C ATOM 263 O ALA A 17 22.749 9.941 -10.730 1.00 0.00 O ATOM 264 CB ALA A 17 23.360 7.029 -9.784 1.00 0.00 C ATOM 0 H ALA A 17 20.923 6.300 -9.969 1.00 0.00 H new ATOM 0 HA ALA A 17 22.321 8.490 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.260 7.634 -9.892 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.477 6.352 -8.938 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.201 6.450 -10.693 1.00 0.00 H new ATOM 270 N ASP A 18 21.096 8.682 -11.591 1.00 0.00 N ATOM 271 CA ASP A 18 20.865 9.567 -12.727 1.00 0.00 C ATOM 272 C ASP A 18 20.406 10.944 -12.257 1.00 0.00 C ATOM 273 O ASP A 18 19.595 11.059 -11.339 1.00 0.00 O ATOM 274 CB ASP A 18 19.822 8.962 -13.668 1.00 0.00 C ATOM 275 CG ASP A 18 20.031 9.383 -15.110 1.00 0.00 C ATOM 276 OD1 ASP A 18 20.927 10.216 -15.361 1.00 0.00 O ATOM 277 OD2 ASP A 18 19.298 8.880 -15.987 1.00 0.00 O ATOM 0 H ASP A 18 20.490 7.862 -11.565 1.00 0.00 H new ATOM 0 HA ASP A 18 21.806 9.681 -13.265 1.00 0.00 H new ATOM 0 HB2 ASP A 18 19.863 7.875 -13.600 1.00 0.00 H new ATOM 0 HB3 ASP A 18 18.826 9.265 -13.345 1.00 0.00 H new ATOM 282 N SER A 19 20.931 11.986 -12.894 1.00 0.00 N ATOM 283 CA SER A 19 20.579 13.356 -12.538 1.00 0.00 C ATOM 284 C SER A 19 19.235 13.746 -13.146 1.00 0.00 C ATOM 285 O SER A 19 18.343 14.229 -12.449 1.00 0.00 O ATOM 286 CB SER A 19 21.665 14.323 -13.012 1.00 0.00 C ATOM 287 OG SER A 19 22.956 13.764 -12.840 1.00 0.00 O ATOM 0 H SER A 19 21.601 11.908 -13.659 1.00 0.00 H new ATOM 0 HA SER A 19 20.499 13.415 -11.453 1.00 0.00 H new ATOM 0 HB2 SER A 19 21.507 14.565 -14.063 1.00 0.00 H new ATOM 0 HB3 SER A 19 21.593 15.257 -12.455 1.00 0.00 H new ATOM 0 HG SER A 19 23.632 14.401 -13.152 1.00 0.00 H new ATOM 293 N ASN A 20 19.098 13.533 -14.451 1.00 0.00 N ATOM 294 CA ASN A 20 17.863 13.863 -15.153 1.00 0.00 C ATOM 295 C ASN A 20 16.801 12.793 -14.919 1.00 0.00 C ATOM 296 O ASN A 20 16.894 11.685 -15.447 1.00 0.00 O ATOM 297 CB ASN A 20 18.130 14.013 -16.653 1.00 0.00 C ATOM 298 CG ASN A 20 19.368 14.840 -16.940 1.00 0.00 C ATOM 299 OD1 ASN A 20 20.489 14.334 -16.902 1.00 0.00 O ATOM 300 ND2 ASN A 20 19.169 16.121 -17.229 1.00 0.00 N ATOM 0 H ASN A 20 19.826 13.134 -15.043 1.00 0.00 H new ATOM 0 HA ASN A 20 17.492 14.809 -14.759 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.245 13.025 -17.099 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.267 14.479 -17.128 1.00 0.00 H new ATOM 0 HD21 ASN A 20 19.964 16.728 -17.431 1.00 0.00 H new ATOM 0 HD22 ASN A 20 18.221 16.498 -17.249 1.00 0.00 H new ATOM 307 N PHE A 21 15.793 13.133 -14.123 1.00 0.00 N ATOM 308 CA PHE A 21 14.713 12.202 -13.817 1.00 0.00 C ATOM 309 C PHE A 21 13.386 12.705 -14.380 1.00 0.00 C ATOM 310 O PHE A 21 12.973 13.833 -14.111 1.00 0.00 O ATOM 311 CB PHE A 21 14.596 12.002 -12.305 1.00 0.00 C ATOM 312 CG PHE A 21 13.654 10.898 -11.917 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.813 9.622 -12.432 1.00 0.00 C ATOM 314 CD2 PHE A 21 12.610 11.137 -11.038 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.948 8.604 -12.077 1.00 0.00 C ATOM 316 CE2 PHE A 21 11.742 10.123 -10.679 1.00 0.00 C ATOM 317 CZ PHE A 21 11.911 8.855 -11.199 1.00 0.00 C ATOM 0 H PHE A 21 15.701 14.046 -13.678 1.00 0.00 H new ATOM 0 HA PHE A 21 14.947 11.246 -14.285 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.584 11.786 -11.898 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.260 12.933 -11.848 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.622 9.420 -13.119 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.473 12.127 -10.629 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.083 7.613 -12.485 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.932 10.322 -9.992 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.234 8.061 -10.920 1.00 0.00 H new ATOM 327 N ASP A 22 12.724 11.859 -15.161 1.00 0.00 N ATOM 328 CA ASP A 22 11.444 12.216 -15.762 1.00 0.00 C ATOM 329 C ASP A 22 10.328 11.320 -15.235 1.00 0.00 C ATOM 330 O ASP A 22 10.305 10.118 -15.502 1.00 0.00 O ATOM 331 CB ASP A 22 11.524 12.109 -17.286 1.00 0.00 C ATOM 332 CG ASP A 22 10.345 12.768 -17.975 1.00 0.00 C ATOM 333 OD1 ASP A 22 9.575 13.472 -17.289 1.00 0.00 O ATOM 334 OD2 ASP A 22 10.193 12.580 -19.200 1.00 0.00 O ATOM 0 H ASP A 22 13.052 10.921 -15.393 1.00 0.00 H new ATOM 0 HA ASP A 22 11.218 13.247 -15.489 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.448 12.572 -17.632 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.567 11.058 -17.572 1.00 0.00 H new ATOM 339 N ILE A 23 9.405 11.912 -14.484 1.00 0.00 N ATOM 340 CA ILE A 23 8.287 11.167 -13.919 1.00 0.00 C ATOM 341 C ILE A 23 7.513 10.429 -15.007 1.00 0.00 C ATOM 342 O ILE A 23 6.913 9.384 -14.755 1.00 0.00 O ATOM 343 CB ILE A 23 7.321 12.093 -13.157 1.00 0.00 C ATOM 344 CG1 ILE A 23 6.306 11.266 -12.364 1.00 0.00 C ATOM 345 CG2 ILE A 23 6.611 13.029 -14.123 1.00 0.00 C ATOM 346 CD1 ILE A 23 6.909 10.545 -11.179 1.00 0.00 C ATOM 0 H ILE A 23 9.410 12.905 -14.253 1.00 0.00 H new ATOM 0 HA ILE A 23 8.710 10.444 -13.222 1.00 0.00 H new ATOM 0 HB ILE A 23 7.897 12.696 -12.455 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.510 11.922 -12.013 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.847 10.535 -13.029 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.932 13.677 -13.569 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.348 13.638 -14.647 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.044 12.443 -14.847 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.133 9.979 -10.664 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.686 9.863 -11.525 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.344 11.272 -10.493 1.00 0.00 H new ATOM 358 N ALA A 24 7.533 10.978 -16.216 1.00 0.00 N ATOM 359 CA ALA A 24 6.837 10.370 -17.343 1.00 0.00 C ATOM 360 C ALA A 24 7.372 8.971 -17.628 1.00 0.00 C ATOM 361 O ALA A 24 6.605 8.045 -17.892 1.00 0.00 O ATOM 362 CB ALA A 24 6.966 11.248 -18.579 1.00 0.00 C ATOM 0 H ALA A 24 8.024 11.843 -16.441 1.00 0.00 H new ATOM 0 HA ALA A 24 5.782 10.282 -17.082 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.441 10.782 -19.413 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.530 12.226 -18.377 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.019 11.366 -18.833 1.00 0.00 H new ATOM 368 N SER A 25 8.692 8.824 -17.575 1.00 0.00 N ATOM 369 CA SER A 25 9.329 7.538 -17.832 1.00 0.00 C ATOM 370 C SER A 25 8.904 6.504 -16.794 1.00 0.00 C ATOM 371 O SER A 25 8.851 5.308 -17.078 1.00 0.00 O ATOM 372 CB SER A 25 10.851 7.689 -17.825 1.00 0.00 C ATOM 373 OG SER A 25 11.319 8.196 -19.063 1.00 0.00 O ATOM 0 H SER A 25 9.341 9.580 -17.356 1.00 0.00 H new ATOM 0 HA SER A 25 9.010 7.192 -18.815 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.149 8.358 -17.018 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.315 6.723 -17.626 1.00 0.00 H new ATOM 0 HG SER A 25 12.294 8.285 -19.032 1.00 0.00 H new ATOM 379 N VAL A 26 8.603 6.975 -15.588 1.00 0.00 N ATOM 380 CA VAL A 26 8.181 6.093 -14.506 1.00 0.00 C ATOM 381 C VAL A 26 6.788 5.531 -14.766 1.00 0.00 C ATOM 382 O VAL A 26 6.518 4.363 -14.489 1.00 0.00 O ATOM 383 CB VAL A 26 8.182 6.827 -13.151 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.718 5.897 -12.040 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.565 7.384 -12.849 1.00 0.00 C ATOM 0 H VAL A 26 8.644 7.962 -15.336 1.00 0.00 H new ATOM 0 HA VAL A 26 8.899 5.273 -14.468 1.00 0.00 H new ATOM 0 HB VAL A 26 7.484 7.662 -13.208 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.725 6.432 -11.091 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.707 5.551 -12.254 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.389 5.040 -11.978 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.548 7.899 -11.889 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.286 6.567 -12.810 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.854 8.085 -13.632 1.00 0.00 H new ATOM 395 N ALA A 27 5.908 6.370 -15.301 1.00 0.00 N ATOM 396 CA ALA A 27 4.543 5.956 -15.602 1.00 0.00 C ATOM 397 C ALA A 27 4.517 4.925 -16.725 1.00 0.00 C ATOM 398 O ALA A 27 3.876 3.882 -16.607 1.00 0.00 O ATOM 399 CB ALA A 27 3.694 7.164 -15.971 1.00 0.00 C ATOM 0 H ALA A 27 6.116 7.341 -15.535 1.00 0.00 H new ATOM 0 HA ALA A 27 4.125 5.492 -14.709 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.677 6.840 -16.193 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.677 7.865 -15.137 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.119 7.653 -16.848 1.00 0.00 H new ATOM 405 N GLN A 28 5.217 5.226 -17.815 1.00 0.00 N ATOM 406 CA GLN A 28 5.272 4.325 -18.960 1.00 0.00 C ATOM 407 C GLN A 28 5.906 2.992 -18.574 1.00 0.00 C ATOM 408 O GLN A 28 5.495 1.935 -19.055 1.00 0.00 O ATOM 409 CB GLN A 28 6.060 4.966 -20.103 1.00 0.00 C ATOM 410 CG GLN A 28 7.507 5.269 -19.748 1.00 0.00 C ATOM 411 CD GLN A 28 8.238 6.001 -20.857 1.00 0.00 C ATOM 412 OE1 GLN A 28 8.060 7.205 -21.045 1.00 0.00 O ATOM 413 NE2 GLN A 28 9.068 5.276 -21.598 1.00 0.00 N ATOM 0 H GLN A 28 5.753 6.086 -17.929 1.00 0.00 H new ATOM 0 HA GLN A 28 4.251 4.138 -19.292 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.038 4.301 -20.966 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.566 5.891 -20.400 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.536 5.871 -18.840 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.027 4.336 -19.529 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.185 4.281 -21.407 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.588 5.714 -22.358 1.00 0.00 H new ATOM 422 N HIS A 29 6.908 3.050 -17.703 1.00 0.00 N ATOM 423 CA HIS A 29 7.599 1.847 -17.252 1.00 0.00 C ATOM 424 C HIS A 29 6.620 0.864 -16.616 1.00 0.00 C ATOM 425 O HIS A 29 6.777 -0.351 -16.738 1.00 0.00 O ATOM 426 CB HIS A 29 8.698 2.208 -16.252 1.00 0.00 C ATOM 427 CG HIS A 29 9.262 1.025 -15.528 1.00 0.00 C ATOM 428 ND1 HIS A 29 9.500 -0.188 -16.139 1.00 0.00 N ATOM 429 CD2 HIS A 29 9.637 0.874 -14.236 1.00 0.00 C ATOM 430 CE1 HIS A 29 9.996 -1.034 -15.254 1.00 0.00 C ATOM 431 NE2 HIS A 29 10.089 -0.415 -14.091 1.00 0.00 N ATOM 0 H HIS A 29 7.260 3.916 -17.295 1.00 0.00 H new ATOM 0 HA HIS A 29 8.052 1.371 -18.122 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.504 2.719 -16.779 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.297 2.912 -15.523 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.590 1.627 -13.463 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.278 -2.058 -15.448 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.439 -0.827 -13.226 1.00 0.00 H new ATOM 439 N VAL A 30 5.610 1.398 -15.938 1.00 0.00 N ATOM 440 CA VAL A 30 4.605 0.568 -15.283 1.00 0.00 C ATOM 441 C VAL A 30 3.338 0.473 -16.126 1.00 0.00 C ATOM 442 O VAL A 30 2.273 0.111 -15.624 1.00 0.00 O ATOM 443 CB VAL A 30 4.243 1.119 -13.891 1.00 0.00 C ATOM 444 CG1 VAL A 30 5.446 1.059 -12.963 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.715 2.541 -14.002 1.00 0.00 C ATOM 0 H VAL A 30 5.465 2.402 -15.827 1.00 0.00 H new ATOM 0 HA VAL A 30 5.038 -0.426 -15.170 1.00 0.00 H new ATOM 0 HB VAL A 30 3.456 0.496 -13.466 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.171 1.453 -11.985 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.774 0.025 -12.859 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.257 1.657 -13.379 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.464 2.915 -13.009 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.478 3.179 -14.448 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.823 2.550 -14.629 1.00 0.00 H new ATOM 455 N CYS A 31 3.460 0.800 -17.407 1.00 0.00 N ATOM 456 CA CYS A 31 2.324 0.751 -18.321 1.00 0.00 C ATOM 457 C CYS A 31 1.135 1.517 -17.750 1.00 0.00 C ATOM 458 O CYS A 31 -0.017 1.117 -17.924 1.00 0.00 O ATOM 459 CB CYS A 31 1.926 -0.700 -18.597 1.00 0.00 C ATOM 460 SG CYS A 31 3.207 -1.672 -19.424 1.00 0.00 S ATOM 0 H CYS A 31 4.334 1.102 -17.837 1.00 0.00 H new ATOM 0 HA CYS A 31 2.622 1.222 -19.258 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.672 -1.182 -17.653 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.026 -0.708 -19.211 1.00 0.00 H new ATOM 0 HG CYS A 31 2.778 -2.885 -19.612 1.00 0.00 H new ATOM 466 N LEU A 32 1.421 2.620 -17.067 1.00 0.00 N ATOM 467 CA LEU A 32 0.376 3.443 -16.469 1.00 0.00 C ATOM 468 C LEU A 32 0.647 4.925 -16.705 1.00 0.00 C ATOM 469 O LEU A 32 1.760 5.314 -17.061 1.00 0.00 O ATOM 470 CB LEU A 32 0.275 3.164 -14.969 1.00 0.00 C ATOM 471 CG LEU A 32 -1.026 2.520 -14.491 1.00 0.00 C ATOM 472 CD1 LEU A 32 -2.161 3.533 -14.508 1.00 0.00 C ATOM 473 CD2 LEU A 32 -1.373 1.314 -15.353 1.00 0.00 C ATOM 0 H LEU A 32 2.369 2.965 -16.914 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.570 3.186 -16.945 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.104 2.516 -14.684 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.408 4.105 -14.435 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.885 2.180 -13.465 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.079 3.056 -14.165 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.916 4.365 -13.849 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.302 3.904 -15.523 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.302 0.868 -14.998 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.495 1.630 -16.389 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.571 0.579 -15.290 1.00 0.00 H new ATOM 485 N SER A 33 -0.377 5.749 -16.504 1.00 0.00 N ATOM 486 CA SER A 33 -0.249 7.189 -16.696 1.00 0.00 C ATOM 487 C SER A 33 0.416 7.841 -15.488 1.00 0.00 C ATOM 488 O SER A 33 0.447 7.287 -14.389 1.00 0.00 O ATOM 489 CB SER A 33 -1.623 7.816 -16.937 1.00 0.00 C ATOM 490 OG SER A 33 -2.661 6.889 -16.670 1.00 0.00 O ATOM 0 H SER A 33 -1.304 5.444 -16.208 1.00 0.00 H new ATOM 0 HA SER A 33 0.379 7.360 -17.570 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.742 8.693 -16.301 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.694 8.159 -17.969 1.00 0.00 H new ATOM 0 HG SER A 33 -3.529 7.315 -16.830 1.00 0.00 H new ATOM 496 N PRO A 34 0.962 9.049 -15.694 1.00 0.00 N ATOM 497 CA PRO A 34 1.636 9.804 -14.635 1.00 0.00 C ATOM 498 C PRO A 34 0.663 10.317 -13.579 1.00 0.00 C ATOM 499 O PRO A 34 0.964 10.306 -12.385 1.00 0.00 O ATOM 500 CB PRO A 34 2.275 10.975 -15.386 1.00 0.00 C ATOM 501 CG PRO A 34 1.436 11.147 -16.605 1.00 0.00 C ATOM 502 CD PRO A 34 0.962 9.770 -16.978 1.00 0.00 C ATOM 0 HA PRO A 34 2.351 9.189 -14.088 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.280 11.880 -14.778 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.311 10.760 -15.646 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.593 11.810 -16.409 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.012 11.595 -17.415 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.032 9.795 -17.425 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.626 9.299 -17.703 1.00 0.00 H new ATOM 510 N SER A 35 -0.506 10.765 -14.026 1.00 0.00 N ATOM 511 CA SER A 35 -1.523 11.285 -13.119 1.00 0.00 C ATOM 512 C SER A 35 -2.089 10.172 -12.242 1.00 0.00 C ATOM 513 O SER A 35 -2.267 10.347 -11.036 1.00 0.00 O ATOM 514 CB SER A 35 -2.651 11.949 -13.911 1.00 0.00 C ATOM 515 OG SER A 35 -2.154 12.994 -14.728 1.00 0.00 O ATOM 0 H SER A 35 -0.772 10.778 -15.011 1.00 0.00 H new ATOM 0 HA SER A 35 -1.054 12.029 -12.475 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.151 11.205 -14.531 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.398 12.345 -13.223 1.00 0.00 H new ATOM 0 HG SER A 35 -2.894 13.401 -15.225 1.00 0.00 H new ATOM 521 N ARG A 36 -2.368 9.027 -12.857 1.00 0.00 N ATOM 522 CA ARG A 36 -2.915 7.885 -12.133 1.00 0.00 C ATOM 523 C ARG A 36 -1.852 7.244 -11.246 1.00 0.00 C ATOM 524 O ARG A 36 -2.109 6.921 -10.085 1.00 0.00 O ATOM 525 CB ARG A 36 -3.468 6.850 -13.115 1.00 0.00 C ATOM 526 CG ARG A 36 -4.795 6.248 -12.681 1.00 0.00 C ATOM 527 CD ARG A 36 -4.590 5.048 -11.769 1.00 0.00 C ATOM 528 NE ARG A 36 -5.726 4.131 -11.808 1.00 0.00 N ATOM 529 CZ ARG A 36 -6.877 4.359 -11.185 1.00 0.00 C ATOM 530 NH1 ARG A 36 -7.044 5.469 -10.479 1.00 0.00 N ATOM 531 NH2 ARG A 36 -7.864 3.477 -11.268 1.00 0.00 N ATOM 0 H ARG A 36 -2.224 8.865 -13.854 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.725 8.243 -11.498 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.593 7.318 -14.091 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.738 6.050 -13.236 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.387 7.003 -12.163 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.364 5.945 -13.560 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.685 4.517 -12.066 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.437 5.392 -10.746 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.630 3.268 -12.343 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.288 6.150 -10.413 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.929 5.642 -10.002 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.740 2.622 -11.811 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.747 3.653 -10.789 1.00 0.00 H new ATOM 545 N LEU A 37 -0.659 7.062 -11.799 1.00 0.00 N ATOM 546 CA LEU A 37 0.444 6.459 -11.059 1.00 0.00 C ATOM 547 C LEU A 37 0.841 7.328 -9.870 1.00 0.00 C ATOM 548 O LEU A 37 1.056 6.826 -8.766 1.00 0.00 O ATOM 549 CB LEU A 37 1.649 6.251 -11.978 1.00 0.00 C ATOM 550 CG LEU A 37 2.934 5.770 -11.303 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.854 4.281 -11.005 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.142 6.078 -12.175 1.00 0.00 C ATOM 0 H LEU A 37 -0.430 7.323 -12.758 1.00 0.00 H new ATOM 0 HA LEU A 37 0.111 5.491 -10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.374 5.529 -12.746 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.860 7.192 -12.486 1.00 0.00 H new ATOM 0 HG LEU A 37 3.048 6.303 -10.359 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.777 3.956 -10.525 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.012 4.088 -10.341 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.716 3.731 -11.936 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.047 5.729 -11.679 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.036 5.573 -13.135 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.209 7.154 -12.337 1.00 0.00 H new ATOM 564 N SER A 38 0.934 8.633 -10.102 1.00 0.00 N ATOM 565 CA SER A 38 1.307 9.572 -9.050 1.00 0.00 C ATOM 566 C SER A 38 0.311 9.517 -7.895 1.00 0.00 C ATOM 567 O SER A 38 0.692 9.607 -6.728 1.00 0.00 O ATOM 568 CB SER A 38 1.378 10.994 -9.609 1.00 0.00 C ATOM 569 OG SER A 38 1.487 11.947 -8.566 1.00 0.00 O ATOM 0 H SER A 38 0.756 9.065 -11.009 1.00 0.00 H new ATOM 0 HA SER A 38 2.290 9.287 -8.674 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.234 11.083 -10.278 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.487 11.200 -10.202 1.00 0.00 H new ATOM 0 HG SER A 38 1.532 12.848 -8.949 1.00 0.00 H new ATOM 575 N HIS A 39 -0.967 9.369 -8.230 1.00 0.00 N ATOM 576 CA HIS A 39 -2.018 9.301 -7.222 1.00 0.00 C ATOM 577 C HIS A 39 -1.789 8.126 -6.276 1.00 0.00 C ATOM 578 O HIS A 39 -1.840 8.280 -5.054 1.00 0.00 O ATOM 579 CB HIS A 39 -3.387 9.172 -7.890 1.00 0.00 C ATOM 580 CG HIS A 39 -4.532 9.220 -6.926 1.00 0.00 C ATOM 581 ND1 HIS A 39 -5.350 10.320 -6.783 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.994 8.294 -6.053 1.00 0.00 C ATOM 583 CE1 HIS A 39 -6.265 10.070 -5.863 1.00 0.00 C ATOM 584 NE2 HIS A 39 -6.071 8.846 -5.405 1.00 0.00 N ATOM 0 H HIS A 39 -1.299 9.294 -9.191 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.990 10.223 -6.642 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.503 9.974 -8.619 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.426 8.232 -8.441 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.590 7.305 -5.896 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.039 10.750 -5.540 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.630 8.386 -4.687 1.00 0.00 H new ATOM 592 N LEU A 40 -1.536 6.953 -6.846 1.00 0.00 N ATOM 593 CA LEU A 40 -1.299 5.752 -6.053 1.00 0.00 C ATOM 594 C LEU A 40 0.056 5.818 -5.356 1.00 0.00 C ATOM 595 O LEU A 40 0.227 5.290 -4.257 1.00 0.00 O ATOM 596 CB LEU A 40 -1.368 4.509 -6.942 1.00 0.00 C ATOM 597 CG LEU A 40 -2.591 4.403 -7.854 1.00 0.00 C ATOM 598 CD1 LEU A 40 -2.496 3.165 -8.733 1.00 0.00 C ATOM 599 CD2 LEU A 40 -3.870 4.377 -7.031 1.00 0.00 C ATOM 0 H LEU A 40 -1.490 6.808 -7.855 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.076 5.690 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.473 4.481 -7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.339 3.627 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.616 5.281 -8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.375 3.106 -9.375 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.599 3.225 -9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.446 2.276 -8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.730 4.301 -7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.854 3.518 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.944 5.293 -6.445 1.00 0.00 H new ATOM 611 N PHE A 41 1.016 6.472 -6.002 1.00 0.00 N ATOM 612 CA PHE A 41 2.356 6.608 -5.444 1.00 0.00 C ATOM 613 C PHE A 41 2.337 7.476 -4.189 1.00 0.00 C ATOM 614 O PHE A 41 2.845 7.079 -3.139 1.00 0.00 O ATOM 615 CB PHE A 41 3.305 7.214 -6.481 1.00 0.00 C ATOM 616 CG PHE A 41 4.608 6.477 -6.604 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.676 6.791 -5.779 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.765 5.472 -7.544 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.877 6.115 -5.889 1.00 0.00 C ATOM 620 CE2 PHE A 41 5.963 4.792 -7.658 1.00 0.00 C ATOM 621 CZ PHE A 41 7.021 5.115 -6.831 1.00 0.00 C ATOM 0 H PHE A 41 0.891 6.916 -6.912 1.00 0.00 H new ATOM 0 HA PHE A 41 2.711 5.614 -5.173 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.810 7.225 -7.452 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.507 8.251 -6.214 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.569 7.573 -5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.942 5.217 -8.195 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.702 6.368 -5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.072 4.009 -8.393 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.959 4.587 -6.921 1.00 0.00 H new ATOM 631 N ARG A 42 1.747 8.661 -4.305 1.00 0.00 N ATOM 632 CA ARG A 42 1.663 9.586 -3.181 1.00 0.00 C ATOM 633 C ARG A 42 0.691 9.069 -2.123 1.00 0.00 C ATOM 634 O ARG A 42 0.819 9.388 -0.942 1.00 0.00 O ATOM 635 CB ARG A 42 1.220 10.968 -3.663 1.00 0.00 C ATOM 636 CG ARG A 42 0.918 11.939 -2.533 1.00 0.00 C ATOM 637 CD ARG A 42 1.215 13.375 -2.937 1.00 0.00 C ATOM 638 NE ARG A 42 0.276 13.865 -3.943 1.00 0.00 N ATOM 639 CZ ARG A 42 0.172 15.144 -4.289 1.00 0.00 C ATOM 640 NH1 ARG A 42 0.944 16.055 -3.714 1.00 0.00 N ATOM 641 NH2 ARG A 42 -0.707 15.513 -5.212 1.00 0.00 N ATOM 0 H ARG A 42 1.320 9.003 -5.166 1.00 0.00 H new ATOM 0 HA ARG A 42 2.653 9.665 -2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.001 11.391 -4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.331 10.859 -4.285 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.130 11.850 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.512 11.676 -1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.170 14.016 -2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.231 13.439 -3.327 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.333 13.189 -4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.620 15.775 -3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.862 17.036 -3.982 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.303 14.815 -5.656 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.786 16.495 -5.477 1.00 0.00 H new ATOM 655 N GLN A 43 -0.278 8.269 -2.558 1.00 0.00 N ATOM 656 CA GLN A 43 -1.271 7.710 -1.648 1.00 0.00 C ATOM 657 C GLN A 43 -0.694 6.531 -0.871 1.00 0.00 C ATOM 658 O GLN A 43 -0.930 6.393 0.329 1.00 0.00 O ATOM 659 CB GLN A 43 -2.511 7.266 -2.425 1.00 0.00 C ATOM 660 CG GLN A 43 -3.644 6.779 -1.536 1.00 0.00 C ATOM 661 CD GLN A 43 -3.603 5.282 -1.305 1.00 0.00 C ATOM 662 OE1 GLN A 43 -2.651 4.607 -1.700 1.00 0.00 O ATOM 663 NE2 GLN A 43 -4.638 4.753 -0.662 1.00 0.00 N ATOM 0 H GLN A 43 -0.396 7.994 -3.533 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.554 8.486 -0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.868 8.099 -3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.232 6.468 -3.113 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.593 7.292 -0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.598 7.047 -1.991 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.405 5.350 -0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.665 3.750 -0.478 1.00 0.00 H new ATOM 672 N GLN A 44 0.062 5.686 -1.563 1.00 0.00 N ATOM 673 CA GLN A 44 0.671 4.518 -0.937 1.00 0.00 C ATOM 674 C GLN A 44 1.943 4.903 -0.188 1.00 0.00 C ATOM 675 O GLN A 44 2.219 4.388 0.896 1.00 0.00 O ATOM 676 CB GLN A 44 0.987 3.455 -1.990 1.00 0.00 C ATOM 677 CG GLN A 44 -0.250 2.824 -2.607 1.00 0.00 C ATOM 678 CD GLN A 44 -0.991 1.922 -1.639 1.00 0.00 C ATOM 679 OE1 GLN A 44 -0.425 1.459 -0.648 1.00 0.00 O ATOM 680 NE2 GLN A 44 -2.263 1.668 -1.922 1.00 0.00 N ATOM 0 H GLN A 44 0.268 5.788 -2.557 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.041 4.109 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.588 3.906 -2.780 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.595 2.673 -1.534 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.921 3.611 -2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.041 2.247 -3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.691 2.073 -2.754 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.812 1.068 -1.307 1.00 0.00 H new ATOM 689 N LEU A 45 2.716 5.812 -0.774 1.00 0.00 N ATOM 690 CA LEU A 45 3.960 6.266 -0.163 1.00 0.00 C ATOM 691 C LEU A 45 3.710 7.452 0.764 1.00 0.00 C ATOM 692 O LEU A 45 4.548 7.787 1.600 1.00 0.00 O ATOM 693 CB LEU A 45 4.971 6.653 -1.244 1.00 0.00 C ATOM 694 CG LEU A 45 5.308 5.568 -2.267 1.00 0.00 C ATOM 695 CD1 LEU A 45 6.730 5.740 -2.778 1.00 0.00 C ATOM 696 CD2 LEU A 45 5.121 4.186 -1.660 1.00 0.00 C ATOM 0 H LEU A 45 2.503 6.248 -1.671 1.00 0.00 H new ATOM 0 HA LEU A 45 4.366 5.445 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.586 7.522 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.895 6.963 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 45 4.626 5.667 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.952 4.959 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.831 6.716 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.428 5.668 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.365 3.426 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.778 4.075 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.085 4.064 -1.344 1.00 0.00 H new ATOM 708 N GLY A 46 2.549 8.082 0.611 1.00 0.00 N ATOM 709 CA GLY A 46 2.208 9.222 1.442 1.00 0.00 C ATOM 710 C GLY A 46 3.096 10.420 1.174 1.00 0.00 C ATOM 711 O GLY A 46 3.055 11.408 1.908 1.00 0.00 O ATOM 0 H GLY A 46 1.839 7.823 -0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.168 9.498 1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.290 8.940 2.492 1.00 0.00 H new ATOM 715 N ILE A 47 3.903 10.334 0.121 1.00 0.00 N ATOM 716 CA ILE A 47 4.805 11.420 -0.240 1.00 0.00 C ATOM 717 C ILE A 47 5.047 11.456 -1.745 1.00 0.00 C ATOM 718 O ILE A 47 4.645 10.546 -2.471 1.00 0.00 O ATOM 719 CB ILE A 47 6.158 11.292 0.483 1.00 0.00 C ATOM 720 CG1 ILE A 47 6.901 10.044 0.004 1.00 0.00 C ATOM 721 CG2 ILE A 47 5.952 11.247 1.990 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.253 9.857 0.658 1.00 0.00 C ATOM 0 H ILE A 47 3.950 9.523 -0.496 1.00 0.00 H new ATOM 0 HA ILE A 47 4.323 12.347 0.071 1.00 0.00 H new ATOM 0 HB ILE A 47 6.764 12.166 0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.286 9.166 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.034 10.102 -1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.918 11.156 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.460 12.163 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.330 10.389 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.723 8.953 0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.886 10.717 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.126 9.766 1.737 1.00 0.00 H new ATOM 734 N SER A 48 5.708 12.512 -2.208 1.00 0.00 N ATOM 735 CA SER A 48 6.003 12.667 -3.628 1.00 0.00 C ATOM 736 C SER A 48 7.171 11.776 -4.041 1.00 0.00 C ATOM 737 O SER A 48 8.021 11.427 -3.222 1.00 0.00 O ATOM 738 CB SER A 48 6.324 14.128 -3.947 1.00 0.00 C ATOM 739 OG SER A 48 5.266 14.982 -3.548 1.00 0.00 O ATOM 0 H SER A 48 6.049 13.273 -1.621 1.00 0.00 H new ATOM 0 HA SER A 48 5.121 12.364 -4.192 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.243 14.421 -3.439 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.502 14.239 -5.017 1.00 0.00 H new ATOM 0 HG SER A 48 5.497 15.910 -3.761 1.00 0.00 H new ATOM 745 N VAL A 49 7.205 11.411 -5.319 1.00 0.00 N ATOM 746 CA VAL A 49 8.268 10.562 -5.843 1.00 0.00 C ATOM 747 C VAL A 49 9.641 11.148 -5.536 1.00 0.00 C ATOM 748 O VAL A 49 10.559 10.431 -5.134 1.00 0.00 O ATOM 749 CB VAL A 49 8.133 10.369 -7.365 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.166 9.374 -7.871 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.725 9.916 -7.722 1.00 0.00 C ATOM 0 H VAL A 49 6.509 11.690 -6.010 1.00 0.00 H new ATOM 0 HA VAL A 49 8.171 9.594 -5.351 1.00 0.00 H new ATOM 0 HB VAL A 49 8.317 11.326 -7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.055 9.251 -8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.167 9.744 -7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.017 8.413 -7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.648 9.785 -8.801 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.510 8.970 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.007 10.668 -7.396 1.00 0.00 H new ATOM 761 N LEU A 50 9.776 12.455 -5.727 1.00 0.00 N ATOM 762 CA LEU A 50 11.039 13.139 -5.470 1.00 0.00 C ATOM 763 C LEU A 50 11.436 13.016 -4.002 1.00 0.00 C ATOM 764 O LEU A 50 12.616 12.892 -3.676 1.00 0.00 O ATOM 765 CB LEU A 50 10.930 14.615 -5.858 1.00 0.00 C ATOM 766 CG LEU A 50 11.235 14.949 -7.319 1.00 0.00 C ATOM 767 CD1 LEU A 50 10.381 14.100 -8.249 1.00 0.00 C ATOM 768 CD2 LEU A 50 11.008 16.429 -7.587 1.00 0.00 C ATOM 0 H LEU A 50 9.027 13.063 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 50 11.811 12.665 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.920 14.956 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.609 15.187 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 50 12.284 14.722 -7.512 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.611 14.351 -9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.593 13.045 -8.076 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.326 14.295 -8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.230 16.648 -8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.969 16.682 -7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.662 17.019 -6.946 1.00 0.00 H new ATOM 780 N SER A 51 10.442 13.050 -3.121 1.00 0.00 N ATOM 781 CA SER A 51 10.687 12.943 -1.687 1.00 0.00 C ATOM 782 C SER A 51 11.071 11.517 -1.306 1.00 0.00 C ATOM 783 O SER A 51 12.012 11.299 -0.543 1.00 0.00 O ATOM 784 CB SER A 51 9.447 13.376 -0.903 1.00 0.00 C ATOM 785 OG SER A 51 9.533 12.970 0.452 1.00 0.00 O ATOM 0 H SER A 51 9.459 13.151 -3.375 1.00 0.00 H new ATOM 0 HA SER A 51 11.517 13.603 -1.435 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.340 14.459 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.556 12.945 -1.359 1.00 0.00 H new ATOM 0 HG SER A 51 8.729 13.260 0.932 1.00 0.00 H new ATOM 791 N TRP A 52 10.336 10.550 -1.843 1.00 0.00 N ATOM 792 CA TRP A 52 10.599 9.143 -1.560 1.00 0.00 C ATOM 793 C TRP A 52 12.014 8.760 -1.976 1.00 0.00 C ATOM 794 O TRP A 52 12.700 8.022 -1.268 1.00 0.00 O ATOM 795 CB TRP A 52 9.583 8.258 -2.284 1.00 0.00 C ATOM 796 CG TRP A 52 9.807 6.793 -2.061 1.00 0.00 C ATOM 797 CD1 TRP A 52 9.725 6.122 -0.874 1.00 0.00 C ATOM 798 CD2 TRP A 52 10.153 5.818 -3.051 1.00 0.00 C ATOM 799 NE1 TRP A 52 9.998 4.789 -1.067 1.00 0.00 N ATOM 800 CE2 TRP A 52 10.263 4.577 -2.394 1.00 0.00 C ATOM 801 CE3 TRP A 52 10.378 5.872 -4.429 1.00 0.00 C ATOM 802 CZ2 TRP A 52 10.589 3.404 -3.069 1.00 0.00 C ATOM 803 CZ3 TRP A 52 10.702 4.707 -5.098 1.00 0.00 C ATOM 804 CH2 TRP A 52 10.804 3.486 -4.418 1.00 0.00 C ATOM 0 H TRP A 52 9.554 10.714 -2.477 1.00 0.00 H new ATOM 0 HA TRP A 52 10.503 8.989 -0.485 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.579 8.520 -1.949 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.627 8.466 -3.353 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.481 6.573 0.077 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.003 4.074 -0.340 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.300 6.808 -4.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.669 2.462 -2.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.880 4.738 -6.163 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.057 2.592 -4.969 1.00 0.00 H new ATOM 815 N ARG A 53 12.446 9.264 -3.127 1.00 0.00 N ATOM 816 CA ARG A 53 13.780 8.973 -3.637 1.00 0.00 C ATOM 817 C ARG A 53 14.850 9.406 -2.639 1.00 0.00 C ATOM 818 O ARG A 53 15.777 8.653 -2.344 1.00 0.00 O ATOM 819 CB ARG A 53 14.002 9.677 -4.977 1.00 0.00 C ATOM 820 CG ARG A 53 14.932 8.924 -5.914 1.00 0.00 C ATOM 821 CD ARG A 53 15.320 9.773 -7.114 1.00 0.00 C ATOM 822 NE ARG A 53 16.153 10.911 -6.733 1.00 0.00 N ATOM 823 CZ ARG A 53 16.623 11.801 -7.600 1.00 0.00 C ATOM 824 NH1 ARG A 53 16.344 11.685 -8.891 1.00 0.00 N ATOM 825 NH2 ARG A 53 17.375 12.809 -7.176 1.00 0.00 N ATOM 0 H ARG A 53 11.891 9.876 -3.725 1.00 0.00 H new ATOM 0 HA ARG A 53 13.859 7.896 -3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.039 9.816 -5.469 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.412 10.670 -4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 53 15.830 8.624 -5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.445 8.011 -6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.856 9.157 -7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.419 10.133 -7.610 1.00 0.00 H new ATOM 0 HE ARG A 53 16.387 11.029 -5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.767 10.911 -9.221 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.706 12.370 -9.555 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.593 12.901 -6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.735 13.492 -7.842 1.00 0.00 H new ATOM 839 N GLU A 54 14.713 10.624 -2.123 1.00 0.00 N ATOM 840 CA GLU A 54 15.669 11.156 -1.160 1.00 0.00 C ATOM 841 C GLU A 54 15.778 10.245 0.060 1.00 0.00 C ATOM 842 O GLU A 54 16.877 9.923 0.512 1.00 0.00 O ATOM 843 CB GLU A 54 15.257 12.563 -0.723 1.00 0.00 C ATOM 844 CG GLU A 54 16.400 13.380 -0.144 1.00 0.00 C ATOM 845 CD GLU A 54 16.183 14.874 -0.293 1.00 0.00 C ATOM 846 OE1 GLU A 54 16.021 15.338 -1.441 1.00 0.00 O ATOM 847 OE2 GLU A 54 16.176 15.578 0.738 1.00 0.00 O ATOM 0 H GLU A 54 13.950 11.260 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 54 16.644 11.204 -1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 54 14.840 13.093 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.464 12.486 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.517 13.137 0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.329 13.100 -0.640 1.00 0.00 H new ATOM 854 N ASP A 55 14.630 9.833 0.587 1.00 0.00 N ATOM 855 CA ASP A 55 14.595 8.958 1.753 1.00 0.00 C ATOM 856 C ASP A 55 15.414 7.695 1.510 1.00 0.00 C ATOM 857 O ASP A 55 16.141 7.236 2.391 1.00 0.00 O ATOM 858 CB ASP A 55 13.151 8.587 2.095 1.00 0.00 C ATOM 859 CG ASP A 55 12.984 8.191 3.549 1.00 0.00 C ATOM 860 OD1 ASP A 55 13.045 9.085 4.418 1.00 0.00 O ATOM 861 OD2 ASP A 55 12.792 6.986 3.818 1.00 0.00 O ATOM 0 H ASP A 55 13.712 10.091 0.225 1.00 0.00 H new ATOM 0 HA ASP A 55 15.033 9.496 2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.500 9.433 1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.830 7.763 1.458 1.00 0.00 H new ATOM 866 N GLN A 56 15.291 7.137 0.310 1.00 0.00 N ATOM 867 CA GLN A 56 16.019 5.926 -0.048 1.00 0.00 C ATOM 868 C GLN A 56 17.510 6.209 -0.192 1.00 0.00 C ATOM 869 O GLN A 56 18.347 5.419 0.244 1.00 0.00 O ATOM 870 CB GLN A 56 15.470 5.341 -1.351 1.00 0.00 C ATOM 871 CG GLN A 56 15.319 3.829 -1.323 1.00 0.00 C ATOM 872 CD GLN A 56 14.450 3.350 -0.177 1.00 0.00 C ATOM 873 OE1 GLN A 56 14.952 2.848 0.830 1.00 0.00 O ATOM 874 NE2 GLN A 56 13.140 3.504 -0.322 1.00 0.00 N ATOM 0 H GLN A 56 14.694 7.505 -0.431 1.00 0.00 H new ATOM 0 HA GLN A 56 15.882 5.200 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 56 14.500 5.791 -1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.133 5.616 -2.171 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.887 3.493 -2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 56 16.305 3.371 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.767 3.925 -1.173 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.506 3.202 0.418 1.00 0.00 H new ATOM 883 N ARG A 57 17.836 7.342 -0.806 1.00 0.00 N ATOM 884 CA ARG A 57 19.226 7.729 -1.009 1.00 0.00 C ATOM 885 C ARG A 57 19.964 7.824 0.323 1.00 0.00 C ATOM 886 O ARG A 57 21.074 7.309 0.467 1.00 0.00 O ATOM 887 CB ARG A 57 19.303 9.069 -1.743 1.00 0.00 C ATOM 888 CG ARG A 57 18.904 8.985 -3.208 1.00 0.00 C ATOM 889 CD ARG A 57 18.181 10.243 -3.661 1.00 0.00 C ATOM 890 NE ARG A 57 18.831 11.455 -3.169 1.00 0.00 N ATOM 891 CZ ARG A 57 18.238 12.643 -3.131 1.00 0.00 C ATOM 892 NH1 ARG A 57 16.988 12.778 -3.553 1.00 0.00 N ATOM 893 NH2 ARG A 57 18.895 13.700 -2.669 1.00 0.00 N ATOM 0 H ARG A 57 17.155 8.008 -1.172 1.00 0.00 H new ATOM 0 HA ARG A 57 19.705 6.961 -1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 57 18.656 9.787 -1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.321 9.454 -1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 57 19.793 8.835 -3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.261 8.119 -3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 57 18.144 10.268 -4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 57 17.150 10.216 -3.308 1.00 0.00 H new ATOM 0 HE ARG A 57 19.793 11.385 -2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 57 16.479 11.968 -3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 57 16.535 13.692 -3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 57 19.856 13.600 -2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 57 18.439 14.612 -2.640 1.00 0.00 H new ATOM 907 N ILE A 58 19.341 8.485 1.293 1.00 0.00 N ATOM 908 CA ILE A 58 19.939 8.646 2.613 1.00 0.00 C ATOM 909 C ILE A 58 19.942 7.328 3.379 1.00 0.00 C ATOM 910 O ILE A 58 20.948 6.952 3.982 1.00 0.00 O ATOM 911 CB ILE A 58 19.192 9.708 3.442 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.108 11.025 2.669 1.00 0.00 C ATOM 913 CG2 ILE A 58 19.884 9.916 4.781 1.00 0.00 C ATOM 914 CD1 ILE A 58 20.459 11.631 2.359 1.00 0.00 C ATOM 0 H ILE A 58 18.423 8.917 1.190 1.00 0.00 H new ATOM 0 HA ILE A 58 20.967 8.975 2.457 1.00 0.00 H new ATOM 0 HB ILE A 58 18.178 9.355 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.572 10.855 1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.522 11.740 3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.345 10.669 5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 58 19.896 8.977 5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.908 10.251 4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.323 12.563 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.989 11.833 3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.040 10.935 1.754 1.00 0.00 H new ATOM 926 N SER A 59 18.812 6.630 3.350 1.00 0.00 N ATOM 927 CA SER A 59 18.684 5.354 4.044 1.00 0.00 C ATOM 928 C SER A 59 19.712 4.350 3.530 1.00 0.00 C ATOM 929 O SER A 59 20.281 3.579 4.302 1.00 0.00 O ATOM 930 CB SER A 59 17.272 4.791 3.866 1.00 0.00 C ATOM 931 OG SER A 59 17.191 3.458 4.339 1.00 0.00 O ATOM 0 H SER A 59 17.972 6.926 2.853 1.00 0.00 H new ATOM 0 HA SER A 59 18.868 5.526 5.105 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.558 5.415 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 59 16.994 4.824 2.813 1.00 0.00 H new ATOM 0 HG SER A 59 16.279 3.122 4.215 1.00 0.00 H new ATOM 937 N GLN A 60 19.944 4.368 2.222 1.00 0.00 N ATOM 938 CA GLN A 60 20.902 3.459 1.604 1.00 0.00 C ATOM 939 C GLN A 60 22.333 3.859 1.951 1.00 0.00 C ATOM 940 O GLN A 60 23.159 3.012 2.289 1.00 0.00 O ATOM 941 CB GLN A 60 20.719 3.446 0.086 1.00 0.00 C ATOM 942 CG GLN A 60 21.191 2.159 -0.573 1.00 0.00 C ATOM 943 CD GLN A 60 20.366 0.956 -0.162 1.00 0.00 C ATOM 944 OE1 GLN A 60 19.190 0.847 -0.511 1.00 0.00 O ATOM 945 NE2 GLN A 60 20.979 0.044 0.584 1.00 0.00 N ATOM 0 H GLN A 60 19.482 5.002 1.570 1.00 0.00 H new ATOM 0 HA GLN A 60 20.718 2.458 1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.665 3.598 -0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.264 4.286 -0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.146 2.272 -1.656 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.235 1.984 -0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.955 0.175 0.850 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.474 -0.787 0.891 1.00 0.00 H new ATOM 954 N ALA A 61 22.618 5.154 1.865 1.00 0.00 N ATOM 955 CA ALA A 61 23.948 5.665 2.172 1.00 0.00 C ATOM 956 C ALA A 61 24.322 5.386 3.624 1.00 0.00 C ATOM 957 O ALA A 61 25.425 4.923 3.913 1.00 0.00 O ATOM 958 CB ALA A 61 24.018 7.158 1.885 1.00 0.00 C ATOM 0 H ALA A 61 21.946 5.868 1.585 1.00 0.00 H new ATOM 0 HA ALA A 61 24.665 5.149 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.017 7.527 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 61 23.802 7.337 0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.285 7.681 2.499 1.00 0.00 H new ATOM 964 N LYS A 62 23.397 5.671 4.534 1.00 0.00 N ATOM 965 CA LYS A 62 23.629 5.450 5.956 1.00 0.00 C ATOM 966 C LYS A 62 23.734 3.960 6.266 1.00 0.00 C ATOM 967 O LYS A 62 24.477 3.552 7.159 1.00 0.00 O ATOM 968 CB LYS A 62 22.501 6.075 6.781 1.00 0.00 C ATOM 969 CG LYS A 62 21.177 5.341 6.654 1.00 0.00 C ATOM 970 CD LYS A 62 20.092 5.999 7.491 1.00 0.00 C ATOM 971 CE LYS A 62 20.458 6.011 8.967 1.00 0.00 C ATOM 972 NZ LYS A 62 20.808 4.652 9.463 1.00 0.00 N ATOM 0 H LYS A 62 22.479 6.056 4.312 1.00 0.00 H new ATOM 0 HA LYS A 62 24.573 5.926 6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 62 22.797 6.095 7.830 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.364 7.110 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 62 20.870 5.321 5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.303 4.305 6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.934 7.021 7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 62 19.151 5.467 7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.301 6.684 9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.622 6.404 9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.439 4.529 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.388 3.935 8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.842 4.541 9.471 1.00 0.00 H new ATOM 986 N LEU A 63 22.987 3.152 5.521 1.00 0.00 N ATOM 987 CA LEU A 63 22.998 1.706 5.715 1.00 0.00 C ATOM 988 C LEU A 63 24.383 1.130 5.440 1.00 0.00 C ATOM 989 O LEU A 63 24.918 0.362 6.241 1.00 0.00 O ATOM 990 CB LEU A 63 21.966 1.042 4.801 1.00 0.00 C ATOM 991 CG LEU A 63 21.841 -0.477 4.923 1.00 0.00 C ATOM 992 CD1 LEU A 63 20.428 -0.925 4.584 1.00 0.00 C ATOM 993 CD2 LEU A 63 22.853 -1.170 4.021 1.00 0.00 C ATOM 0 H LEU A 63 22.367 3.473 4.778 1.00 0.00 H new ATOM 0 HA LEU A 63 22.740 1.501 6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 63 20.991 1.484 5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.216 1.284 3.768 1.00 0.00 H new ATOM 0 HG LEU A 63 22.052 -0.758 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 63 20.358 -2.009 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.723 -0.456 5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 63 20.189 -0.632 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 63 22.750 -2.250 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 63 22.674 -0.883 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 63 23.861 -0.874 4.311 1.00 0.00 H new ATOM 1005 N LEU A 64 24.961 1.507 4.305 1.00 0.00 N ATOM 1006 CA LEU A 64 26.286 1.030 3.925 1.00 0.00 C ATOM 1007 C LEU A 64 27.360 1.633 4.825 1.00 0.00 C ATOM 1008 O LEU A 64 28.296 0.947 5.238 1.00 0.00 O ATOM 1009 CB LEU A 64 26.575 1.377 2.464 1.00 0.00 C ATOM 1010 CG LEU A 64 25.494 0.988 1.455 1.00 0.00 C ATOM 1011 CD1 LEU A 64 25.232 2.131 0.486 1.00 0.00 C ATOM 1012 CD2 LEU A 64 25.895 -0.271 0.702 1.00 0.00 C ATOM 0 H LEU A 64 24.533 2.142 3.631 1.00 0.00 H new ATOM 0 HA LEU A 64 26.304 -0.053 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 64 26.740 2.452 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 64 27.507 0.891 2.174 1.00 0.00 H new ATOM 0 HG LEU A 64 24.573 0.783 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 64 24.460 1.836 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 64 24.899 3.009 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 64 26.149 2.369 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 64 25.114 -0.533 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 64 26.829 -0.094 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 64 26.030 -1.090 1.408 1.00 0.00 H new ATOM 1024 N LEU A 65 27.218 2.919 5.127 1.00 0.00 N ATOM 1025 CA LEU A 65 28.175 3.615 5.981 1.00 0.00 C ATOM 1026 C LEU A 65 28.112 3.089 7.411 1.00 0.00 C ATOM 1027 O LEU A 65 29.086 3.175 8.158 1.00 0.00 O ATOM 1028 CB LEU A 65 27.901 5.120 5.966 1.00 0.00 C ATOM 1029 CG LEU A 65 28.793 5.955 5.046 1.00 0.00 C ATOM 1030 CD1 LEU A 65 28.371 7.416 5.076 1.00 0.00 C ATOM 1031 CD2 LEU A 65 30.254 5.812 5.446 1.00 0.00 C ATOM 0 H LEU A 65 26.450 3.501 4.793 1.00 0.00 H new ATOM 0 HA LEU A 65 29.175 3.430 5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 65 26.863 5.277 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.006 5.498 6.983 1.00 0.00 H new ATOM 0 HG LEU A 65 28.678 5.585 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.017 7.995 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 65 27.337 7.503 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 65 28.456 7.798 6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.874 6.413 4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 65 30.385 6.155 6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.551 4.766 5.372 1.00 0.00 H new ATOM 1043 N SER A 66 26.959 2.542 7.784 1.00 0.00 N ATOM 1044 CA SER A 66 26.768 2.003 9.126 1.00 0.00 C ATOM 1045 C SER A 66 27.147 0.526 9.177 1.00 0.00 C ATOM 1046 O SER A 66 27.537 0.008 10.224 1.00 0.00 O ATOM 1047 CB SER A 66 25.315 2.184 9.569 1.00 0.00 C ATOM 1048 OG SER A 66 25.014 3.552 9.784 1.00 0.00 O ATOM 0 H SER A 66 26.144 2.460 7.176 1.00 0.00 H new ATOM 0 HA SER A 66 27.419 2.551 9.807 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.647 1.776 8.810 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.138 1.621 10.485 1.00 0.00 H new ATOM 0 HG SER A 66 24.724 3.959 8.941 1.00 0.00 H new ATOM 1054 N THR A 67 27.029 -0.149 8.037 1.00 0.00 N ATOM 1055 CA THR A 67 27.357 -1.566 7.951 1.00 0.00 C ATOM 1056 C THR A 67 28.791 -1.771 7.475 1.00 0.00 C ATOM 1057 O THR A 67 29.331 -2.874 7.554 1.00 0.00 O ATOM 1058 CB THR A 67 26.401 -2.307 6.997 1.00 0.00 C ATOM 1059 OG1 THR A 67 26.442 -3.714 7.257 1.00 0.00 O ATOM 1060 CG2 THR A 67 26.772 -2.043 5.546 1.00 0.00 C ATOM 0 H THR A 67 26.709 0.264 7.161 1.00 0.00 H new ATOM 0 HA THR A 67 27.248 -1.977 8.955 1.00 0.00 H new ATOM 0 HB THR A 67 25.391 -1.936 7.170 1.00 0.00 H new ATOM 0 HG1 THR A 67 27.353 -3.974 7.510 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.083 -2.577 4.891 1.00 0.00 H new ATOM 0 HG22 THR A 67 26.710 -0.974 5.343 1.00 0.00 H new ATOM 0 HG23 THR A 67 27.789 -2.389 5.362 1.00 0.00 H new ATOM 1068 N THR A 68 29.403 -0.700 6.980 1.00 0.00 N ATOM 1069 CA THR A 68 30.775 -0.762 6.491 1.00 0.00 C ATOM 1070 C THR A 68 31.603 0.401 7.026 1.00 0.00 C ATOM 1071 O THR A 68 31.075 1.303 7.676 1.00 0.00 O ATOM 1072 CB THR A 68 30.823 -0.746 4.951 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.725 0.599 4.472 1.00 0.00 O ATOM 1074 CG2 THR A 68 29.695 -1.582 4.366 1.00 0.00 C ATOM 0 H THR A 68 28.970 0.221 6.907 1.00 0.00 H new ATOM 0 HA THR A 68 31.197 -1.700 6.851 1.00 0.00 H new ATOM 0 HB THR A 68 31.774 -1.175 4.634 1.00 0.00 H new ATOM 0 HG1 THR A 68 29.821 0.940 4.638 1.00 0.00 H new ATOM 0 HG21 THR A 68 29.749 -1.556 3.278 1.00 0.00 H new ATOM 0 HG22 THR A 68 29.790 -2.612 4.709 1.00 0.00 H new ATOM 0 HG23 THR A 68 28.736 -1.178 4.691 1.00 0.00 H new ATOM 1082 N ARG A 69 32.902 0.374 6.747 1.00 0.00 N ATOM 1083 CA ARG A 69 33.803 1.426 7.202 1.00 0.00 C ATOM 1084 C ARG A 69 34.395 2.184 6.017 1.00 0.00 C ATOM 1085 O ARG A 69 35.410 2.867 6.149 1.00 0.00 O ATOM 1086 CB ARG A 69 34.926 0.832 8.054 1.00 0.00 C ATOM 1087 CG ARG A 69 35.334 1.713 9.223 1.00 0.00 C ATOM 1088 CD ARG A 69 35.344 0.935 10.530 1.00 0.00 C ATOM 1089 NE ARG A 69 34.108 1.120 11.286 1.00 0.00 N ATOM 1090 CZ ARG A 69 33.898 0.598 12.489 1.00 0.00 C ATOM 1091 NH1 ARG A 69 34.837 -0.137 13.070 1.00 0.00 N ATOM 1092 NH2 ARG A 69 32.747 0.810 13.114 1.00 0.00 N ATOM 0 H ARG A 69 33.354 -0.365 6.208 1.00 0.00 H new ATOM 0 HA ARG A 69 33.228 2.126 7.808 1.00 0.00 H new ATOM 0 HB2 ARG A 69 34.607 -0.138 8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 69 35.796 0.656 7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 69 36.324 2.129 9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 69 34.645 2.554 9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 69 35.485 -0.125 10.320 1.00 0.00 H new ATOM 0 HD3 ARG A 69 36.191 1.255 11.136 1.00 0.00 H new ATOM 0 HE ARG A 69 33.366 1.681 10.867 1.00 0.00 H new ATOM 0 HH11 ARG A 69 35.723 -0.303 12.593 1.00 0.00 H new ATOM 0 HH12 ARG A 69 34.673 -0.537 13.994 1.00 0.00 H new ATOM 0 HH21 ARG A 69 32.022 1.374 12.671 1.00 0.00 H new ATOM 0 HH22 ARG A 69 32.587 0.409 14.038 1.00 0.00 H new ATOM 1106 N MET A 70 33.754 2.057 4.860 1.00 0.00 N ATOM 1107 CA MET A 70 34.217 2.730 3.652 1.00 0.00 C ATOM 1108 C MET A 70 34.180 4.245 3.826 1.00 0.00 C ATOM 1109 O MET A 70 33.426 4.783 4.637 1.00 0.00 O ATOM 1110 CB MET A 70 33.358 2.322 2.454 1.00 0.00 C ATOM 1111 CG MET A 70 33.568 0.881 2.018 1.00 0.00 C ATOM 1112 SD MET A 70 32.603 0.449 0.557 1.00 0.00 S ATOM 1113 CE MET A 70 30.967 0.289 1.267 1.00 0.00 C ATOM 0 H MET A 70 32.913 1.494 4.733 1.00 0.00 H new ATOM 0 HA MET A 70 35.248 2.428 3.470 1.00 0.00 H new ATOM 0 HB2 MET A 70 32.307 2.468 2.704 1.00 0.00 H new ATOM 0 HB3 MET A 70 33.581 2.983 1.616 1.00 0.00 H new ATOM 0 HG2 MET A 70 34.626 0.719 1.811 1.00 0.00 H new ATOM 0 HG3 MET A 70 33.298 0.215 2.837 1.00 0.00 H new ATOM 0 HE1 MET A 70 30.288 -0.130 0.525 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.009 -0.371 2.133 1.00 0.00 H new ATOM 0 HE3 MET A 70 30.607 1.270 1.576 1.00 0.00 H new ATOM 1123 N PRO A 71 35.014 4.952 3.049 1.00 0.00 N ATOM 1124 CA PRO A 71 35.095 6.414 3.099 1.00 0.00 C ATOM 1125 C PRO A 71 33.846 7.084 2.537 1.00 0.00 C ATOM 1126 O PRO A 71 33.061 6.456 1.824 1.00 0.00 O ATOM 1127 CB PRO A 71 36.311 6.733 2.226 1.00 0.00 C ATOM 1128 CG PRO A 71 36.419 5.578 1.291 1.00 0.00 C ATOM 1129 CD PRO A 71 35.941 4.377 2.060 1.00 0.00 C ATOM 0 HA PRO A 71 35.179 6.782 4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.175 7.669 1.685 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.213 6.841 2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 71 35.811 5.739 0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.447 5.443 0.955 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.441 3.658 1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 71 36.767 3.853 2.541 1.00 0.00 H new ATOM 1137 N ILE A 72 33.667 8.360 2.860 1.00 0.00 N ATOM 1138 CA ILE A 72 32.514 9.114 2.385 1.00 0.00 C ATOM 1139 C ILE A 72 32.519 9.228 0.865 1.00 0.00 C ATOM 1140 O ILE A 72 31.465 9.292 0.233 1.00 0.00 O ATOM 1141 CB ILE A 72 32.476 10.528 2.994 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.427 10.448 4.522 1.00 0.00 C ATOM 1143 CG2 ILE A 72 31.280 11.303 2.461 1.00 0.00 C ATOM 1144 CD1 ILE A 72 32.903 11.709 5.208 1.00 0.00 C ATOM 0 H ILE A 72 34.306 8.894 3.449 1.00 0.00 H new ATOM 0 HA ILE A 72 31.627 8.566 2.703 1.00 0.00 H new ATOM 0 HB ILE A 72 33.385 11.056 2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 72 31.404 10.238 4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 72 33.040 9.610 4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 72 31.267 12.300 2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 72 31.354 11.386 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.361 10.779 2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 72 32.841 11.581 6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 72 33.936 11.909 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 72 32.275 12.547 4.905 1.00 0.00 H new ATOM 1156 N ALA A 73 33.714 9.250 0.283 1.00 0.00 N ATOM 1157 CA ALA A 73 33.857 9.351 -1.164 1.00 0.00 C ATOM 1158 C ALA A 73 33.285 8.121 -1.860 1.00 0.00 C ATOM 1159 O ALA A 73 32.534 8.236 -2.829 1.00 0.00 O ATOM 1160 CB ALA A 73 35.320 9.538 -1.538 1.00 0.00 C ATOM 0 H ALA A 73 34.597 9.199 0.792 1.00 0.00 H new ATOM 0 HA ALA A 73 33.293 10.221 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.412 9.612 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.699 10.451 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 73 35.898 8.685 -1.182 1.00 0.00 H new ATOM 1166 N THR A 74 33.644 6.943 -1.360 1.00 0.00 N ATOM 1167 CA THR A 74 33.167 5.691 -1.935 1.00 0.00 C ATOM 1168 C THR A 74 31.658 5.550 -1.771 1.00 0.00 C ATOM 1169 O THR A 74 30.944 5.263 -2.732 1.00 0.00 O ATOM 1170 CB THR A 74 33.858 4.476 -1.287 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.272 4.545 -1.502 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.316 3.176 -1.860 1.00 0.00 C ATOM 0 H THR A 74 34.264 6.830 -0.558 1.00 0.00 H new ATOM 0 HA THR A 74 33.413 5.717 -2.996 1.00 0.00 H new ATOM 0 HB THR A 74 33.652 4.496 -0.217 1.00 0.00 H new ATOM 0 HG1 THR A 74 35.704 3.770 -1.086 1.00 0.00 H new ATOM 0 HG21 THR A 74 33.819 2.332 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.245 3.113 -1.669 1.00 0.00 H new ATOM 0 HG23 THR A 74 33.495 3.149 -2.935 1.00 0.00 H new ATOM 1180 N VAL A 75 31.179 5.755 -0.549 1.00 0.00 N ATOM 1181 CA VAL A 75 29.753 5.653 -0.259 1.00 0.00 C ATOM 1182 C VAL A 75 28.950 6.640 -1.099 1.00 0.00 C ATOM 1183 O VAL A 75 27.866 6.319 -1.585 1.00 0.00 O ATOM 1184 CB VAL A 75 29.463 5.909 1.231 1.00 0.00 C ATOM 1185 CG1 VAL A 75 27.988 5.695 1.533 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.330 5.014 2.104 1.00 0.00 C ATOM 0 H VAL A 75 31.757 5.993 0.257 1.00 0.00 H new ATOM 0 HA VAL A 75 29.451 4.636 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 75 29.708 6.947 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 75 27.803 5.881 2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.391 6.382 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 75 27.712 4.669 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.112 5.208 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.119 3.969 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.382 5.222 1.907 1.00 0.00 H new ATOM 1196 N GLY A 76 29.490 7.843 -1.266 1.00 0.00 N ATOM 1197 CA GLY A 76 28.810 8.859 -2.048 1.00 0.00 C ATOM 1198 C GLY A 76 28.483 8.388 -3.452 1.00 0.00 C ATOM 1199 O GLY A 76 27.476 8.796 -4.032 1.00 0.00 O ATOM 0 H GLY A 76 30.386 8.132 -0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.889 9.147 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.436 9.750 -2.103 1.00 0.00 H new ATOM 1203 N ARG A 77 29.335 7.529 -3.999 1.00 0.00 N ATOM 1204 CA ARG A 77 29.133 7.004 -5.345 1.00 0.00 C ATOM 1205 C ARG A 77 27.905 6.101 -5.397 1.00 0.00 C ATOM 1206 O ARG A 77 27.204 6.048 -6.407 1.00 0.00 O ATOM 1207 CB ARG A 77 30.369 6.229 -5.804 1.00 0.00 C ATOM 1208 CG ARG A 77 31.528 7.121 -6.221 1.00 0.00 C ATOM 1209 CD ARG A 77 32.581 6.341 -6.992 1.00 0.00 C ATOM 1210 NE ARG A 77 32.107 5.943 -8.315 1.00 0.00 N ATOM 1211 CZ ARG A 77 32.828 5.221 -9.167 1.00 0.00 C ATOM 1212 NH1 ARG A 77 34.047 4.821 -8.836 1.00 0.00 N ATOM 1213 NH2 ARG A 77 32.327 4.899 -10.353 1.00 0.00 N ATOM 0 H ARG A 77 30.172 7.181 -3.532 1.00 0.00 H new ATOM 0 HA ARG A 77 28.972 7.847 -6.017 1.00 0.00 H new ATOM 0 HB2 ARG A 77 30.698 5.575 -4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 77 30.095 5.588 -6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 77 31.156 7.939 -6.838 1.00 0.00 H new ATOM 0 HG3 ARG A 77 31.981 7.569 -5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 77 33.479 6.950 -7.097 1.00 0.00 H new ATOM 0 HD3 ARG A 77 32.862 5.453 -6.425 1.00 0.00 H new ATOM 0 HE ARG A 77 31.172 6.235 -8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 77 34.435 5.067 -7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 77 34.598 4.267 -9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 77 31.389 5.206 -10.611 1.00 0.00 H new ATOM 0 HH22 ARG A 77 32.880 4.345 -11.007 1.00 0.00 H new ATOM 1227 N ASN A 78 27.651 5.392 -4.302 1.00 0.00 N ATOM 1228 CA ASN A 78 26.507 4.490 -4.224 1.00 0.00 C ATOM 1229 C ASN A 78 25.196 5.263 -4.333 1.00 0.00 C ATOM 1230 O ASN A 78 24.204 4.753 -4.852 1.00 0.00 O ATOM 1231 CB ASN A 78 26.541 3.704 -2.912 1.00 0.00 C ATOM 1232 CG ASN A 78 27.143 2.322 -3.081 1.00 0.00 C ATOM 1233 OD1 ASN A 78 26.731 1.556 -3.953 1.00 0.00 O ATOM 1234 ND2 ASN A 78 28.123 1.997 -2.246 1.00 0.00 N ATOM 0 H ASN A 78 28.221 5.424 -3.457 1.00 0.00 H new ATOM 0 HA ASN A 78 26.567 3.793 -5.060 1.00 0.00 H new ATOM 0 HB2 ASN A 78 27.118 4.261 -2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 78 25.528 3.611 -2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 78 28.566 1.081 -2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 78 28.432 2.664 -1.539 1.00 0.00 H new ATOM 1241 N VAL A 79 25.201 6.498 -3.841 1.00 0.00 N ATOM 1242 CA VAL A 79 24.013 7.342 -3.884 1.00 0.00 C ATOM 1243 C VAL A 79 24.006 8.216 -5.133 1.00 0.00 C ATOM 1244 O VAL A 79 23.168 9.105 -5.277 1.00 0.00 O ATOM 1245 CB VAL A 79 23.920 8.244 -2.639 1.00 0.00 C ATOM 1246 CG1 VAL A 79 23.618 7.415 -1.400 1.00 0.00 C ATOM 1247 CG2 VAL A 79 25.205 9.038 -2.460 1.00 0.00 C ATOM 0 H VAL A 79 26.014 6.936 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 79 23.151 6.675 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 79 23.101 8.949 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.556 8.069 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 79 22.669 6.896 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 79 24.413 6.685 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 79 25.122 9.670 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 79 26.043 8.352 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 79 25.372 9.662 -3.338 1.00 0.00 H new ATOM 1257 N GLY A 80 24.946 7.956 -6.037 1.00 0.00 N ATOM 1258 CA GLY A 80 25.031 8.728 -7.263 1.00 0.00 C ATOM 1259 C GLY A 80 25.691 10.076 -7.056 1.00 0.00 C ATOM 1260 O GLY A 80 25.762 10.889 -7.977 1.00 0.00 O ATOM 0 H GLY A 80 25.650 7.224 -5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 80 25.593 8.162 -8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 80 24.029 8.876 -7.666 1.00 0.00 H new ATOM 1264 N PHE A 81 26.174 10.316 -5.841 1.00 0.00 N ATOM 1265 CA PHE A 81 26.830 11.577 -5.515 1.00 0.00 C ATOM 1266 C PHE A 81 28.345 11.452 -5.644 1.00 0.00 C ATOM 1267 O PHE A 81 28.979 10.683 -4.920 1.00 0.00 O ATOM 1268 CB PHE A 81 26.462 12.015 -4.095 1.00 0.00 C ATOM 1269 CG PHE A 81 25.027 12.433 -3.950 1.00 0.00 C ATOM 1270 CD1 PHE A 81 24.391 13.137 -4.959 1.00 0.00 C ATOM 1271 CD2 PHE A 81 24.314 12.121 -2.803 1.00 0.00 C ATOM 1272 CE1 PHE A 81 23.071 13.523 -4.827 1.00 0.00 C ATOM 1273 CE2 PHE A 81 22.993 12.504 -2.666 1.00 0.00 C ATOM 1274 CZ PHE A 81 22.370 13.205 -3.680 1.00 0.00 C ATOM 0 H PHE A 81 26.123 9.654 -5.067 1.00 0.00 H new ATOM 0 HA PHE A 81 26.484 12.331 -6.222 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.665 11.195 -3.406 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.105 12.844 -3.801 1.00 0.00 H new ATOM 0 HD1 PHE A 81 24.933 13.387 -5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 81 24.796 11.572 -2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.587 14.073 -5.620 1.00 0.00 H new ATOM 0 HE2 PHE A 81 22.449 12.255 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.337 13.504 -3.576 1.00 0.00 H new ATOM 1284 N ASP A 82 28.919 12.211 -6.570 1.00 0.00 N ATOM 1285 CA ASP A 82 30.359 12.187 -6.795 1.00 0.00 C ATOM 1286 C ASP A 82 31.082 13.077 -5.789 1.00 0.00 C ATOM 1287 O ASP A 82 32.218 12.800 -5.403 1.00 0.00 O ATOM 1288 CB ASP A 82 30.683 12.640 -8.220 1.00 0.00 C ATOM 1289 CG ASP A 82 32.159 12.925 -8.416 1.00 0.00 C ATOM 1290 OD1 ASP A 82 32.972 11.993 -8.242 1.00 0.00 O ATOM 1291 OD2 ASP A 82 32.500 14.081 -8.744 1.00 0.00 O ATOM 0 H ASP A 82 28.408 12.851 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 82 30.705 11.162 -6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 82 30.368 11.869 -8.923 1.00 0.00 H new ATOM 0 HB3 ASP A 82 30.109 13.537 -8.452 1.00 0.00 H new ATOM 1296 N ASP A 83 30.416 14.146 -5.368 1.00 0.00 N ATOM 1297 CA ASP A 83 30.994 15.078 -4.406 1.00 0.00 C ATOM 1298 C ASP A 83 30.757 14.600 -2.977 1.00 0.00 C ATOM 1299 O ASP A 83 29.615 14.463 -2.540 1.00 0.00 O ATOM 1300 CB ASP A 83 30.399 16.474 -4.595 1.00 0.00 C ATOM 1301 CG ASP A 83 31.062 17.238 -5.725 1.00 0.00 C ATOM 1302 OD1 ASP A 83 32.199 16.879 -6.097 1.00 0.00 O ATOM 1303 OD2 ASP A 83 30.443 18.193 -6.237 1.00 0.00 O ATOM 0 H ASP A 83 29.475 14.389 -5.678 1.00 0.00 H new ATOM 0 HA ASP A 83 32.069 15.123 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 83 29.331 16.386 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 83 30.503 17.039 -3.668 1.00 0.00 H new ATOM 1308 N GLN A 84 31.844 14.346 -2.256 1.00 0.00 N ATOM 1309 CA GLN A 84 31.754 13.881 -0.876 1.00 0.00 C ATOM 1310 C GLN A 84 31.077 14.925 0.006 1.00 0.00 C ATOM 1311 O GLN A 84 30.327 14.586 0.923 1.00 0.00 O ATOM 1312 CB GLN A 84 33.147 13.561 -0.332 1.00 0.00 C ATOM 1313 CG GLN A 84 34.145 14.693 -0.511 1.00 0.00 C ATOM 1314 CD GLN A 84 35.460 14.429 0.197 1.00 0.00 C ATOM 1315 OE1 GLN A 84 36.518 14.384 -0.431 1.00 0.00 O ATOM 1316 NE2 GLN A 84 35.400 14.254 1.512 1.00 0.00 N ATOM 0 H GLN A 84 32.797 14.454 -2.604 1.00 0.00 H new ATOM 0 HA GLN A 84 31.150 12.974 -0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 84 33.068 13.322 0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.527 12.670 -0.832 1.00 0.00 H new ATOM 0 HG2 GLN A 84 34.333 14.842 -1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 84 33.711 15.618 -0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 84 34.501 14.300 1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 84 36.253 14.074 2.042 1.00 0.00 H new ATOM 1325 N LEU A 85 31.347 16.195 -0.275 1.00 0.00 N ATOM 1326 CA LEU A 85 30.764 17.289 0.494 1.00 0.00 C ATOM 1327 C LEU A 85 29.264 17.394 0.241 1.00 0.00 C ATOM 1328 O LEU A 85 28.498 17.765 1.131 1.00 0.00 O ATOM 1329 CB LEU A 85 31.448 18.610 0.137 1.00 0.00 C ATOM 1330 CG LEU A 85 32.865 18.801 0.679 1.00 0.00 C ATOM 1331 CD1 LEU A 85 33.625 19.815 -0.162 1.00 0.00 C ATOM 1332 CD2 LEU A 85 32.825 19.236 2.136 1.00 0.00 C ATOM 0 H LEU A 85 31.966 16.493 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 85 30.920 17.081 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.481 18.697 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.827 19.428 0.503 1.00 0.00 H new ATOM 0 HG LEU A 85 33.388 17.846 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 85 34.631 19.938 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.685 19.462 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 85 33.104 20.772 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 85 33.842 19.367 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 85 32.285 20.179 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 85 32.319 18.474 2.729 1.00 0.00 H new ATOM 1344 N TYR A 86 28.851 17.065 -0.978 1.00 0.00 N ATOM 1345 CA TYR A 86 27.442 17.123 -1.349 1.00 0.00 C ATOM 1346 C TYR A 86 26.606 16.211 -0.457 1.00 0.00 C ATOM 1347 O TYR A 86 25.573 16.619 0.074 1.00 0.00 O ATOM 1348 CB TYR A 86 27.263 16.724 -2.815 1.00 0.00 C ATOM 1349 CG TYR A 86 25.869 16.975 -3.344 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.808 16.153 -2.982 1.00 0.00 C ATOM 1351 CD2 TYR A 86 25.612 18.034 -4.206 1.00 0.00 C ATOM 1352 CE1 TYR A 86 23.533 16.379 -3.464 1.00 0.00 C ATOM 1353 CE2 TYR A 86 24.340 18.268 -4.692 1.00 0.00 C ATOM 1354 CZ TYR A 86 23.304 17.437 -4.318 1.00 0.00 C ATOM 1355 OH TYR A 86 22.035 17.666 -4.799 1.00 0.00 O ATOM 0 H TYR A 86 29.472 16.755 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 86 27.098 18.148 -1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.979 17.277 -3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.500 15.666 -2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 86 24.983 15.324 -2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 86 26.421 18.686 -4.501 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.720 15.730 -3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 86 24.158 19.096 -5.361 1.00 0.00 H new ATOM 0 HH TYR A 86 22.045 18.450 -5.387 1.00 0.00 H new ATOM 1365 N PHE A 87 27.061 14.973 -0.295 1.00 0.00 N ATOM 1366 CA PHE A 87 26.356 14.001 0.533 1.00 0.00 C ATOM 1367 C PHE A 87 26.388 14.414 2.002 1.00 0.00 C ATOM 1368 O PHE A 87 25.395 14.281 2.717 1.00 0.00 O ATOM 1369 CB PHE A 87 26.977 12.613 0.368 1.00 0.00 C ATOM 1370 CG PHE A 87 26.447 11.599 1.342 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.097 11.289 1.374 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.299 10.957 2.226 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.606 10.357 2.268 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.814 10.024 3.122 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.465 9.724 3.144 1.00 0.00 C ATOM 0 H PHE A 87 27.915 14.619 -0.726 1.00 0.00 H new ATOM 0 HA PHE A 87 25.317 13.967 0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 87 26.794 12.260 -0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 87 28.058 12.691 0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.420 11.782 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.354 11.188 2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.552 10.124 2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.489 9.529 3.805 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.084 8.996 3.845 1.00 0.00 H new ATOM 1385 N SER A 88 27.537 14.914 2.445 1.00 0.00 N ATOM 1386 CA SER A 88 27.701 15.342 3.829 1.00 0.00 C ATOM 1387 C SER A 88 26.810 16.542 4.136 1.00 0.00 C ATOM 1388 O SER A 88 26.251 16.651 5.228 1.00 0.00 O ATOM 1389 CB SER A 88 29.164 15.694 4.106 1.00 0.00 C ATOM 1390 OG SER A 88 30.034 14.700 3.594 1.00 0.00 O ATOM 0 H SER A 88 28.368 15.033 1.866 1.00 0.00 H new ATOM 0 HA SER A 88 27.404 14.517 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 88 29.401 16.657 3.654 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.319 15.799 5.180 1.00 0.00 H new ATOM 0 HG SER A 88 30.245 14.901 2.658 1.00 0.00 H new ATOM 1396 N ARG A 89 26.684 17.441 3.165 1.00 0.00 N ATOM 1397 CA ARG A 89 25.862 18.634 3.331 1.00 0.00 C ATOM 1398 C ARG A 89 24.399 18.261 3.547 1.00 0.00 C ATOM 1399 O ARG A 89 23.760 18.731 4.489 1.00 0.00 O ATOM 1400 CB ARG A 89 25.993 19.542 2.107 1.00 0.00 C ATOM 1401 CG ARG A 89 27.334 20.250 2.014 1.00 0.00 C ATOM 1402 CD ARG A 89 27.320 21.572 2.767 1.00 0.00 C ATOM 1403 NE ARG A 89 28.668 22.080 3.006 1.00 0.00 N ATOM 1404 CZ ARG A 89 28.930 23.335 3.354 1.00 0.00 C ATOM 1405 NH1 ARG A 89 27.940 24.204 3.504 1.00 0.00 N ATOM 1406 NH2 ARG A 89 30.183 23.722 3.554 1.00 0.00 N ATOM 0 H ARG A 89 27.140 17.366 2.256 1.00 0.00 H new ATOM 0 HA ARG A 89 26.216 19.169 4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 89 25.843 18.947 1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 89 25.199 20.288 2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 89 28.115 19.607 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 89 27.580 20.429 0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 89 26.751 22.307 2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 89 26.808 21.441 3.720 1.00 0.00 H new ATOM 0 HE ARG A 89 29.452 21.436 2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 89 26.975 23.909 3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 89 28.143 25.167 3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 89 30.947 23.056 3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 89 30.383 24.686 3.821 1.00 0.00 H new ATOM 1420 N VAL A 90 23.874 17.412 2.669 1.00 0.00 N ATOM 1421 CA VAL A 90 22.486 16.975 2.764 1.00 0.00 C ATOM 1422 C VAL A 90 22.281 16.052 3.960 1.00 0.00 C ATOM 1423 O VAL A 90 21.327 16.207 4.722 1.00 0.00 O ATOM 1424 CB VAL A 90 22.038 16.246 1.484 1.00 0.00 C ATOM 1425 CG1 VAL A 90 20.601 15.766 1.617 1.00 0.00 C ATOM 1426 CG2 VAL A 90 22.196 17.152 0.272 1.00 0.00 C ATOM 0 H VAL A 90 24.389 17.013 1.884 1.00 0.00 H new ATOM 0 HA VAL A 90 21.880 17.872 2.893 1.00 0.00 H new ATOM 0 HB VAL A 90 22.675 15.373 1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.303 15.253 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.523 15.079 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.946 16.621 1.784 1.00 0.00 H new ATOM 0 HG21 VAL A 90 21.875 16.621 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 90 21.585 18.045 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 90 23.242 17.440 0.167 1.00 0.00 H new ATOM 1436 N PHE A 91 23.184 15.090 4.119 1.00 0.00 N ATOM 1437 CA PHE A 91 23.103 14.139 5.222 1.00 0.00 C ATOM 1438 C PHE A 91 23.194 14.857 6.566 1.00 0.00 C ATOM 1439 O PHE A 91 22.547 14.465 7.537 1.00 0.00 O ATOM 1440 CB PHE A 91 24.219 13.099 5.110 1.00 0.00 C ATOM 1441 CG PHE A 91 24.230 12.107 6.238 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.946 12.363 7.396 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.523 10.919 6.141 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.957 11.453 8.437 1.00 0.00 C ATOM 1445 CE2 PHE A 91 23.531 10.006 7.178 1.00 0.00 C ATOM 1446 CZ PHE A 91 24.250 10.272 8.327 1.00 0.00 C ATOM 0 H PHE A 91 23.981 14.948 3.498 1.00 0.00 H new ATOM 0 HA PHE A 91 22.139 13.634 5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 91 24.112 12.563 4.167 1.00 0.00 H new ATOM 0 HB3 PHE A 91 25.180 13.612 5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 91 25.502 13.284 7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.960 10.704 5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 91 25.518 11.666 9.335 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.975 9.084 7.090 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.259 9.558 9.137 1.00 0.00 H new ATOM 1456 N LYS A 92 24.003 15.910 6.613 1.00 0.00 N ATOM 1457 CA LYS A 92 24.180 16.685 7.836 1.00 0.00 C ATOM 1458 C LYS A 92 22.843 17.219 8.340 1.00 0.00 C ATOM 1459 O LYS A 92 22.520 17.097 9.522 1.00 0.00 O ATOM 1460 CB LYS A 92 25.146 17.846 7.593 1.00 0.00 C ATOM 1461 CG LYS A 92 25.247 18.809 8.764 1.00 0.00 C ATOM 1462 CD LYS A 92 26.143 19.992 8.437 1.00 0.00 C ATOM 1463 CE LYS A 92 25.803 21.202 9.294 1.00 0.00 C ATOM 1464 NZ LYS A 92 26.848 22.258 9.201 1.00 0.00 N ATOM 0 H LYS A 92 24.547 16.247 5.818 1.00 0.00 H new ATOM 0 HA LYS A 92 24.598 16.026 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 92 26.136 17.445 7.377 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.825 18.396 6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 92 24.252 19.167 9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 92 25.639 18.284 9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 92 27.185 19.715 8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 92 26.037 20.250 7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.843 21.612 8.979 1.00 0.00 H new ATOM 0 HE3 LYS A 92 25.692 20.892 10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 26.580 23.066 9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 27.759 21.875 9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 26.937 22.573 8.214 1.00 0.00 H new ATOM 1478 N LYS A 93 22.069 17.810 7.437 1.00 0.00 N ATOM 1479 CA LYS A 93 20.765 18.361 7.789 1.00 0.00 C ATOM 1480 C LYS A 93 19.732 17.251 7.954 1.00 0.00 C ATOM 1481 O LYS A 93 18.748 17.409 8.676 1.00 0.00 O ATOM 1482 CB LYS A 93 20.300 19.349 6.717 1.00 0.00 C ATOM 1483 CG LYS A 93 20.947 20.719 6.831 1.00 0.00 C ATOM 1484 CD LYS A 93 21.057 21.398 5.477 1.00 0.00 C ATOM 1485 CE LYS A 93 19.688 21.762 4.922 1.00 0.00 C ATOM 1486 NZ LYS A 93 19.785 22.729 3.794 1.00 0.00 N ATOM 0 H LYS A 93 22.322 17.920 6.455 1.00 0.00 H new ATOM 0 HA LYS A 93 20.864 18.885 8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.518 18.934 5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.218 19.461 6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 93 20.362 21.344 7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.940 20.618 7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.665 22.298 5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.570 20.737 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.182 20.858 4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.077 22.191 5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.831 22.951 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.245 23.602 4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.347 22.311 3.025 1.00 0.00 H new ATOM 1500 N CYS A 94 19.964 16.129 7.282 1.00 0.00 N ATOM 1501 CA CYS A 94 19.054 14.991 7.355 1.00 0.00 C ATOM 1502 C CYS A 94 18.936 14.480 8.788 1.00 0.00 C ATOM 1503 O CYS A 94 17.834 14.294 9.304 1.00 0.00 O ATOM 1504 CB CYS A 94 19.534 13.867 6.437 1.00 0.00 C ATOM 1505 SG CYS A 94 19.074 14.082 4.702 1.00 0.00 S ATOM 0 H CYS A 94 20.775 15.983 6.680 1.00 0.00 H new ATOM 0 HA CYS A 94 18.070 15.323 7.025 1.00 0.00 H new ATOM 0 HB2 CYS A 94 20.619 13.794 6.507 1.00 0.00 H new ATOM 0 HB3 CYS A 94 19.127 12.921 6.795 1.00 0.00 H new ATOM 0 HG CYS A 94 17.921 13.522 4.486 1.00 0.00 H new ATOM 1511 N THR A 95 20.081 14.254 9.425 1.00 0.00 N ATOM 1512 CA THR A 95 20.107 13.762 10.797 1.00 0.00 C ATOM 1513 C THR A 95 20.427 14.884 11.778 1.00 0.00 C ATOM 1514 O THR A 95 20.288 14.721 12.989 1.00 0.00 O ATOM 1515 CB THR A 95 21.142 12.634 10.969 1.00 0.00 C ATOM 1516 OG1 THR A 95 22.400 13.034 10.415 1.00 0.00 O ATOM 1517 CG2 THR A 95 20.668 11.356 10.293 1.00 0.00 C ATOM 0 H THR A 95 21.002 14.404 9.013 1.00 0.00 H new ATOM 0 HA THR A 95 19.113 13.369 11.011 1.00 0.00 H new ATOM 0 HB THR A 95 21.260 12.440 12.035 1.00 0.00 H new ATOM 0 HG1 THR A 95 23.052 12.312 10.530 1.00 0.00 H new ATOM 0 HG21 THR A 95 21.415 10.574 10.428 1.00 0.00 H new ATOM 0 HG22 THR A 95 19.725 11.037 10.738 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.523 11.540 9.228 1.00 0.00 H new ATOM 1525 N GLY A 96 20.857 16.024 11.246 1.00 0.00 N ATOM 1526 CA GLY A 96 21.189 17.157 12.089 1.00 0.00 C ATOM 1527 C GLY A 96 22.670 17.229 12.406 1.00 0.00 C ATOM 1528 O GLY A 96 23.144 18.216 12.969 1.00 0.00 O ATOM 0 H GLY A 96 20.981 16.183 10.246 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.881 18.078 11.593 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.624 17.092 13.019 1.00 0.00 H new ATOM 1532 N ALA A 97 23.402 16.181 12.045 1.00 0.00 N ATOM 1533 CA ALA A 97 24.838 16.130 12.294 1.00 0.00 C ATOM 1534 C ALA A 97 25.583 15.560 11.092 1.00 0.00 C ATOM 1535 O ALA A 97 25.065 14.702 10.378 1.00 0.00 O ATOM 1536 CB ALA A 97 25.129 15.304 13.538 1.00 0.00 C ATOM 0 H ALA A 97 23.025 15.356 11.579 1.00 0.00 H new ATOM 0 HA ALA A 97 25.190 17.149 12.457 1.00 0.00 H new ATOM 0 HB1 ALA A 97 26.205 15.274 13.712 1.00 0.00 H new ATOM 0 HB2 ALA A 97 24.635 15.755 14.398 1.00 0.00 H new ATOM 0 HB3 ALA A 97 24.756 14.289 13.396 1.00 0.00 H new ATOM 1542 N SER A 98 26.802 16.042 10.874 1.00 0.00 N ATOM 1543 CA SER A 98 27.618 15.584 9.756 1.00 0.00 C ATOM 1544 C SER A 98 27.977 14.109 9.913 1.00 0.00 C ATOM 1545 O SER A 98 27.879 13.533 10.997 1.00 0.00 O ATOM 1546 CB SER A 98 28.893 16.422 9.649 1.00 0.00 C ATOM 1547 OG SER A 98 29.162 17.098 10.865 1.00 0.00 O ATOM 0 H SER A 98 27.247 16.750 11.458 1.00 0.00 H new ATOM 0 HA SER A 98 27.036 15.703 8.842 1.00 0.00 H new ATOM 0 HB2 SER A 98 29.735 15.778 9.393 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.789 17.147 8.842 1.00 0.00 H new ATOM 0 HG SER A 98 29.983 17.625 10.772 1.00 0.00 H new ATOM 1553 N PRO A 99 28.402 13.483 8.806 1.00 0.00 N ATOM 1554 CA PRO A 99 28.785 12.068 8.795 1.00 0.00 C ATOM 1555 C PRO A 99 30.082 11.813 9.556 1.00 0.00 C ATOM 1556 O PRO A 99 30.275 10.740 10.128 1.00 0.00 O ATOM 1557 CB PRO A 99 28.970 11.763 7.306 1.00 0.00 C ATOM 1558 CG PRO A 99 29.299 13.078 6.688 1.00 0.00 C ATOM 1559 CD PRO A 99 28.543 14.108 7.481 1.00 0.00 C ATOM 0 HA PRO A 99 28.040 11.440 9.284 1.00 0.00 H new ATOM 0 HB2 PRO A 99 29.770 11.040 7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 99 28.064 11.338 6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 99 30.372 13.268 6.723 1.00 0.00 H new ATOM 0 HG3 PRO A 99 29.005 13.101 5.639 1.00 0.00 H new ATOM 0 HD2 PRO A 99 29.087 15.051 7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 99 27.573 14.326 7.034 1.00 0.00 H new ATOM 1567 N SER A 100 30.966 12.805 9.560 1.00 0.00 N ATOM 1568 CA SER A 100 32.246 12.685 10.249 1.00 0.00 C ATOM 1569 C SER A 100 32.045 12.617 11.760 1.00 0.00 C ATOM 1570 O SER A 100 32.779 11.922 12.462 1.00 0.00 O ATOM 1571 CB SER A 100 33.151 13.867 9.896 1.00 0.00 C ATOM 1572 OG SER A 100 34.439 13.711 10.466 1.00 0.00 O ATOM 0 H SER A 100 30.820 13.701 9.094 1.00 0.00 H new ATOM 0 HA SER A 100 32.722 11.761 9.921 1.00 0.00 H new ATOM 0 HB2 SER A 100 33.237 13.952 8.813 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.701 14.793 10.254 1.00 0.00 H new ATOM 0 HG SER A 100 34.999 14.478 10.225 1.00 0.00 H new ATOM 1578 N GLU A 101 31.046 13.343 12.251 1.00 0.00 N ATOM 1579 CA GLU A 101 30.750 13.366 13.679 1.00 0.00 C ATOM 1580 C GLU A 101 30.069 12.071 14.114 1.00 0.00 C ATOM 1581 O GLU A 101 30.452 11.460 15.111 1.00 0.00 O ATOM 1582 CB GLU A 101 29.858 14.562 14.018 1.00 0.00 C ATOM 1583 CG GLU A 101 29.666 14.774 15.511 1.00 0.00 C ATOM 1584 CD GLU A 101 30.082 16.161 15.961 1.00 0.00 C ATOM 1585 OE1 GLU A 101 31.298 16.447 15.952 1.00 0.00 O ATOM 1586 OE2 GLU A 101 29.193 16.959 16.323 1.00 0.00 O ATOM 0 H GLU A 101 30.429 13.922 11.682 1.00 0.00 H new ATOM 0 HA GLU A 101 31.693 13.460 14.218 1.00 0.00 H new ATOM 0 HB2 GLU A 101 30.292 15.463 13.584 1.00 0.00 H new ATOM 0 HB3 GLU A 101 28.883 14.421 13.551 1.00 0.00 H new ATOM 0 HG2 GLU A 101 28.619 14.612 15.765 1.00 0.00 H new ATOM 0 HG3 GLU A 101 30.245 14.030 16.057 1.00 0.00 H new ATOM 1593 N PHE A 102 29.057 11.659 13.358 1.00 0.00 N ATOM 1594 CA PHE A 102 28.321 10.438 13.665 1.00 0.00 C ATOM 1595 C PHE A 102 29.244 9.223 13.626 1.00 0.00 C ATOM 1596 O PHE A 102 29.111 8.303 14.434 1.00 0.00 O ATOM 1597 CB PHE A 102 27.169 10.249 12.675 1.00 0.00 C ATOM 1598 CG PHE A 102 26.107 9.306 13.165 1.00 0.00 C ATOM 1599 CD1 PHE A 102 25.224 9.693 14.160 1.00 0.00 C ATOM 1600 CD2 PHE A 102 25.992 8.034 12.629 1.00 0.00 C ATOM 1601 CE1 PHE A 102 24.247 8.827 14.613 1.00 0.00 C ATOM 1602 CE2 PHE A 102 25.016 7.163 13.078 1.00 0.00 C ATOM 1603 CZ PHE A 102 24.142 7.561 14.070 1.00 0.00 C ATOM 0 H PHE A 102 28.728 12.153 12.528 1.00 0.00 H new ATOM 0 HA PHE A 102 27.914 10.532 14.672 1.00 0.00 H new ATOM 0 HB2 PHE A 102 26.716 11.218 12.468 1.00 0.00 H new ATOM 0 HB3 PHE A 102 27.568 9.876 11.732 1.00 0.00 H new ATOM 0 HD1 PHE A 102 25.300 10.682 14.586 1.00 0.00 H new ATOM 0 HD2 PHE A 102 26.672 7.719 11.852 1.00 0.00 H new ATOM 0 HE1 PHE A 102 23.566 9.140 15.391 1.00 0.00 H new ATOM 0 HE2 PHE A 102 24.938 6.173 12.653 1.00 0.00 H new ATOM 0 HZ PHE A 102 23.377 6.884 14.421 1.00 0.00 H new ATOM 1613 N ARG A 103 30.178 9.226 12.682 1.00 0.00 N ATOM 1614 CA ARG A 103 31.122 8.124 12.536 1.00 0.00 C ATOM 1615 C ARG A 103 31.950 7.947 13.805 1.00 0.00 C ATOM 1616 O ARG A 103 32.185 6.825 14.253 1.00 0.00 O ATOM 1617 CB ARG A 103 32.046 8.370 11.342 1.00 0.00 C ATOM 1618 CG ARG A 103 31.648 7.598 10.095 1.00 0.00 C ATOM 1619 CD ARG A 103 31.945 6.114 10.240 1.00 0.00 C ATOM 1620 NE ARG A 103 32.517 5.548 9.021 1.00 0.00 N ATOM 1621 CZ ARG A 103 33.739 5.829 8.584 1.00 0.00 C ATOM 1622 NH1 ARG A 103 34.514 6.663 9.262 1.00 0.00 N ATOM 1623 NH2 ARG A 103 34.189 5.274 7.465 1.00 0.00 N ATOM 0 H ARG A 103 30.302 9.980 12.006 1.00 0.00 H new ATOM 0 HA ARG A 103 30.552 7.211 12.363 1.00 0.00 H new ATOM 0 HB2 ARG A 103 32.053 9.436 11.113 1.00 0.00 H new ATOM 0 HB3 ARG A 103 33.064 8.097 11.619 1.00 0.00 H new ATOM 0 HG2 ARG A 103 30.585 7.740 9.902 1.00 0.00 H new ATOM 0 HG3 ARG A 103 32.185 7.995 9.233 1.00 0.00 H new ATOM 0 HD2 ARG A 103 32.636 5.962 11.069 1.00 0.00 H new ATOM 0 HD3 ARG A 103 31.026 5.583 10.490 1.00 0.00 H new ATOM 0 HE ARG A 103 31.947 4.902 8.476 1.00 0.00 H new ATOM 0 HH11 ARG A 103 34.172 7.091 10.122 1.00 0.00 H new ATOM 0 HH12 ARG A 103 35.452 6.877 8.924 1.00 0.00 H new ATOM 0 HH21 ARG A 103 33.596 4.631 6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 103 35.128 5.490 7.130 1.00 0.00 H new ATOM 1637 N ALA A 104 32.390 9.061 14.379 1.00 0.00 N ATOM 1638 CA ALA A 104 33.191 9.029 15.597 1.00 0.00 C ATOM 1639 C ALA A 104 32.376 8.508 16.776 1.00 0.00 C ATOM 1640 O ALA A 104 32.926 7.959 17.729 1.00 0.00 O ATOM 1641 CB ALA A 104 33.741 10.414 15.904 1.00 0.00 C ATOM 0 H ALA A 104 32.205 9.998 14.020 1.00 0.00 H new ATOM 0 HA ALA A 104 34.026 8.347 15.436 1.00 0.00 H new ATOM 0 HB1 ALA A 104 34.337 10.375 16.816 1.00 0.00 H new ATOM 0 HB2 ALA A 104 34.366 10.749 15.076 1.00 0.00 H new ATOM 0 HB3 ALA A 104 32.915 11.112 16.040 1.00 0.00 H new ATOM 1647 N GLY A 105 31.060 8.684 16.704 1.00 0.00 N ATOM 1648 CA GLY A 105 30.191 8.227 17.773 1.00 0.00 C ATOM 1649 C GLY A 105 29.903 9.312 18.791 1.00 0.00 C ATOM 1650 O GLY A 105 29.054 9.142 19.667 1.00 0.00 O ATOM 0 H GLY A 105 30.580 9.135 15.925 1.00 0.00 H new ATOM 0 HA2 GLY A 105 29.252 7.874 17.347 1.00 0.00 H new ATOM 0 HA3 GLY A 105 30.653 7.377 18.274 1.00 0.00 H new ATOM 1654 N CYS A 106 30.612 10.430 18.678 1.00 0.00 N ATOM 1655 CA CYS A 106 30.430 11.547 19.598 1.00 0.00 C ATOM 1656 C CYS A 106 29.081 12.221 19.375 1.00 0.00 C ATOM 1657 O CYS A 106 28.739 12.591 18.252 1.00 0.00 O ATOM 1658 CB CYS A 106 31.558 12.566 19.425 1.00 0.00 C ATOM 1659 SG CYS A 106 31.941 13.504 20.922 1.00 0.00 S ATOM 0 H CYS A 106 31.318 10.587 17.959 1.00 0.00 H new ATOM 0 HA CYS A 106 30.456 11.156 20.615 1.00 0.00 H new ATOM 0 HB2 CYS A 106 32.457 12.045 19.096 1.00 0.00 H new ATOM 0 HB3 CYS A 106 31.285 13.263 18.632 1.00 0.00 H new ATOM 0 HG CYS A 106 32.908 14.337 20.676 1.00 0.00 H new