USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 578 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 26 HIS : no HD1:sc= -0.939 K(o=-2,f=-3.9) USER MOD Set 1.2: A 33 HIS : no HD1:sc= -0.0607 K(o=-2,f=-2.7) USER MOD Set 1.3: A 36 THR OG1 : rot 34:sc= -0.167 USER MOD Set 1.4: A 88 THR OG1 : rot 150:sc= -0.842 USER MOD Set 2.1: A 23 CYS SG : rot -157:sc= -0.736 USER MOD Set 2.2: A 25 HIS : no HE2:sc= -2.06 X(o=-2.4,f=-2.1!) USER MOD Set 2.3: A 64 ASN : amide:sc= -0.0108 K(o=-2.4,f=-11!) USER MOD Set 2.4: A 70 CYS SG : rot 17:sc= 0.434 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc=-0.00432 X(o=-0.0043,f=0) USER MOD Single : A 24 ASN : amide:sc= -5.2! C(o=-5.2!,f=-4!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.0083) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 1.29 (180deg=1.06) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0.0915 (180deg=0.085) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 148:sc= 1.14 (180deg=0.152) USER MOD Single : A 54 GLN : amide:sc= -1.45 K(o=-1.4,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 170:sc= 0.307 USER MOD Single : A 69 HIS : no HD1:sc= -0.06 X(o=-0.06,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0323 USER MOD Single : A 77 ASN : amide:sc= -0.848 X(o=-0.85,f=-1.2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 19.957 -1.200 -1.740 1.00 0.00 N ATOM 2 CA SER A 19 19.858 0.233 -1.393 1.00 0.00 C ATOM 3 C SER A 19 18.443 0.739 -1.659 1.00 0.00 C ATOM 4 O SER A 19 17.691 1.015 -0.723 1.00 0.00 O ATOM 5 CB SER A 19 20.879 1.046 -2.197 1.00 0.00 C ATOM 6 OG SER A 19 20.975 2.376 -1.715 1.00 0.00 O ATOM 0 HA SER A 19 20.079 0.355 -0.333 1.00 0.00 H new ATOM 0 HB2 SER A 19 21.856 0.565 -2.140 1.00 0.00 H new ATOM 0 HB3 SER A 19 20.591 1.058 -3.248 1.00 0.00 H new ATOM 0 HG SER A 19 21.635 2.869 -2.246 1.00 0.00 H new ATOM 14 N PHE A 20 18.081 0.857 -2.932 1.00 0.00 N ATOM 15 CA PHE A 20 16.723 1.225 -3.298 1.00 0.00 C ATOM 16 C PHE A 20 15.877 -0.030 -3.419 1.00 0.00 C ATOM 17 O PHE A 20 16.354 -1.074 -3.867 1.00 0.00 O ATOM 18 CB PHE A 20 16.690 2.035 -4.601 1.00 0.00 C ATOM 19 CG PHE A 20 17.275 1.327 -5.792 1.00 0.00 C ATOM 20 CD1 PHE A 20 18.635 1.382 -6.048 1.00 0.00 C ATOM 21 CD2 PHE A 20 16.462 0.613 -6.657 1.00 0.00 C ATOM 22 CE1 PHE A 20 19.173 0.737 -7.144 1.00 0.00 C ATOM 23 CE2 PHE A 20 16.993 -0.035 -7.753 1.00 0.00 C ATOM 24 CZ PHE A 20 18.351 0.027 -7.998 1.00 0.00 C ATOM 0 H PHE A 20 18.707 0.704 -3.722 1.00 0.00 H new ATOM 0 HA PHE A 20 16.312 1.863 -2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 20 15.656 2.299 -4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 20 17.232 2.968 -4.447 1.00 0.00 H new ATOM 0 HD1 PHE A 20 19.282 1.935 -5.383 1.00 0.00 H new ATOM 0 HD2 PHE A 20 15.399 0.563 -6.471 1.00 0.00 H new ATOM 0 HE1 PHE A 20 20.235 0.787 -7.333 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.348 -0.590 -8.418 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.770 -0.479 -8.856 1.00 0.00 H new ATOM 34 N VAL A 21 14.631 0.069 -3.006 1.00 0.00 N ATOM 35 CA VAL A 21 13.770 -1.095 -2.936 1.00 0.00 C ATOM 36 C VAL A 21 12.323 -0.752 -3.285 1.00 0.00 C ATOM 37 O VAL A 21 11.798 0.292 -2.891 1.00 0.00 O ATOM 38 CB VAL A 21 13.861 -1.743 -1.534 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.767 -0.679 -0.462 1.00 0.00 C ATOM 40 CG2 VAL A 21 12.783 -2.796 -1.328 1.00 0.00 C ATOM 0 H VAL A 21 14.191 0.942 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 21 14.117 -1.813 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 21 14.827 -2.243 -1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.832 -1.146 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.585 0.031 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.816 -0.155 -0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.881 -3.227 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.800 -2.335 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.894 -3.581 -2.076 1.00 0.00 H new ATOM 50 N GLN A 22 11.701 -1.627 -4.063 1.00 0.00 N ATOM 51 CA GLN A 22 10.292 -1.503 -4.394 1.00 0.00 C ATOM 52 C GLN A 22 9.488 -2.490 -3.564 1.00 0.00 C ATOM 53 O GLN A 22 9.986 -3.561 -3.214 1.00 0.00 O ATOM 54 CB GLN A 22 10.051 -1.772 -5.877 1.00 0.00 C ATOM 55 CG GLN A 22 10.503 -3.150 -6.330 1.00 0.00 C ATOM 56 CD GLN A 22 9.834 -3.573 -7.618 1.00 0.00 C ATOM 57 OE1 GLN A 22 10.328 -3.300 -8.712 1.00 0.00 O ATOM 58 NE2 GLN A 22 8.705 -4.251 -7.486 1.00 0.00 N ATOM 0 H GLN A 22 12.158 -2.438 -4.480 1.00 0.00 H new ATOM 0 HA GLN A 22 9.975 -0.484 -4.173 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.988 -1.660 -6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.574 -1.017 -6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.584 -3.150 -6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.281 -3.878 -5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.337 -4.452 -6.556 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.203 -4.572 -8.314 1.00 0.00 H new ATOM 67 N CYS A 23 8.249 -2.146 -3.262 1.00 0.00 N ATOM 68 CA CYS A 23 7.427 -3.000 -2.428 1.00 0.00 C ATOM 69 C CYS A 23 5.945 -2.855 -2.751 1.00 0.00 C ATOM 70 O CYS A 23 5.437 -1.749 -2.953 1.00 0.00 O ATOM 71 CB CYS A 23 7.691 -2.680 -0.955 1.00 0.00 C ATOM 72 SG CYS A 23 7.810 -0.913 -0.582 1.00 0.00 S ATOM 0 H CYS A 23 7.794 -1.290 -3.579 1.00 0.00 H new ATOM 0 HA CYS A 23 7.697 -4.036 -2.631 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.892 -3.113 -0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.618 -3.166 -0.651 1.00 0.00 H new ATOM 0 HG CYS A 23 8.487 -0.746 0.515 1.00 0.00 H new ATOM 78 N ASN A 24 5.252 -3.981 -2.821 1.00 0.00 N ATOM 79 CA ASN A 24 3.805 -3.969 -2.964 1.00 0.00 C ATOM 80 C ASN A 24 3.179 -3.636 -1.627 1.00 0.00 C ATOM 81 O ASN A 24 3.166 -4.450 -0.704 1.00 0.00 O ATOM 82 CB ASN A 24 3.262 -5.298 -3.511 1.00 0.00 C ATOM 83 CG ASN A 24 4.241 -6.448 -3.382 1.00 0.00 C ATOM 84 OD1 ASN A 24 4.916 -6.598 -2.368 1.00 0.00 O ATOM 85 ND2 ASN A 24 4.368 -7.230 -4.437 1.00 0.00 N ATOM 0 H ASN A 24 5.667 -4.912 -2.781 1.00 0.00 H new ATOM 0 HA ASN A 24 3.539 -3.206 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.343 -5.552 -2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.000 -5.170 -4.561 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.046 -7.992 -4.428 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.788 -7.073 -5.261 1.00 0.00 H new ATOM 92 N HIS A 25 2.677 -2.417 -1.531 1.00 0.00 N ATOM 93 CA HIS A 25 2.155 -1.899 -0.280 1.00 0.00 C ATOM 94 C HIS A 25 0.831 -2.557 0.044 1.00 0.00 C ATOM 95 O HIS A 25 -0.107 -2.507 -0.752 1.00 0.00 O ATOM 96 CB HIS A 25 1.967 -0.387 -0.359 1.00 0.00 C ATOM 97 CG HIS A 25 3.240 0.404 -0.413 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.300 0.103 -1.242 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.610 1.508 0.274 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.262 0.989 -1.061 1.00 0.00 C ATOM 101 NE2 HIS A 25 4.870 1.852 -0.145 1.00 0.00 N ATOM 0 H HIS A 25 2.620 -1.763 -2.312 1.00 0.00 H new ATOM 0 HA HIS A 25 2.874 -2.123 0.508 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.374 -0.155 -1.243 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.390 -0.061 0.506 1.00 0.00 H new ATOM 0 HD1 HIS A 25 4.335 -0.681 -1.893 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.021 2.025 1.017 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.211 1.004 -1.577 1.00 0.00 H new ATOM 110 N HIS A 26 0.765 -3.189 1.196 1.00 0.00 N ATOM 111 CA HIS A 26 -0.451 -3.857 1.622 1.00 0.00 C ATOM 112 C HIS A 26 -1.422 -2.875 2.241 1.00 0.00 C ATOM 113 O HIS A 26 -1.072 -2.143 3.164 1.00 0.00 O ATOM 114 CB HIS A 26 -0.147 -4.966 2.630 1.00 0.00 C ATOM 115 CG HIS A 26 0.312 -6.244 2.007 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.338 -7.441 2.692 1.00 0.00 N ATOM 117 CD2 HIS A 26 0.735 -6.519 0.754 1.00 0.00 C ATOM 118 CE1 HIS A 26 0.755 -8.394 1.885 1.00 0.00 C ATOM 119 NE2 HIS A 26 1.000 -7.859 0.707 1.00 0.00 N ATOM 0 H HIS A 26 1.539 -3.256 1.857 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.904 -4.297 0.734 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.619 -4.615 3.321 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -1.042 -5.162 3.220 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.843 -5.814 -0.057 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.875 -9.435 2.145 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.335 -8.365 -0.112 1.00 0.00 H new ATOM 128 N LEU A 27 -2.637 -2.868 1.729 1.00 0.00 N ATOM 129 CA LEU A 27 -3.711 -2.124 2.348 1.00 0.00 C ATOM 130 C LEU A 27 -4.512 -3.112 3.179 1.00 0.00 C ATOM 131 O LEU A 27 -5.041 -4.100 2.655 1.00 0.00 O ATOM 132 CB LEU A 27 -4.594 -1.453 1.284 1.00 0.00 C ATOM 133 CG LEU A 27 -5.431 -0.252 1.761 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.470 -0.671 2.784 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.529 0.819 2.350 1.00 0.00 C ATOM 0 H LEU A 27 -2.904 -3.372 0.883 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.317 -1.325 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.955 -1.123 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.271 -2.204 0.876 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.953 0.153 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.043 0.201 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.142 -1.405 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.973 -1.110 3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.135 1.662 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.982 0.408 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.822 1.157 1.592 1.00 0.00 H new ATOM 147 N LEU A 28 -4.569 -2.860 4.467 1.00 0.00 N ATOM 148 CA LEU A 28 -5.151 -3.798 5.396 1.00 0.00 C ATOM 149 C LEU A 28 -6.560 -3.391 5.785 1.00 0.00 C ATOM 150 O LEU A 28 -6.802 -2.288 6.281 1.00 0.00 O ATOM 151 CB LEU A 28 -4.278 -3.919 6.643 1.00 0.00 C ATOM 152 CG LEU A 28 -3.727 -5.320 6.909 1.00 0.00 C ATOM 153 CD1 LEU A 28 -4.851 -6.341 6.947 1.00 0.00 C ATOM 154 CD2 LEU A 28 -2.707 -5.688 5.847 1.00 0.00 C ATOM 0 H LEU A 28 -4.216 -2.005 4.897 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.205 -4.767 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.441 -3.227 6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.860 -3.603 7.509 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.236 -5.322 7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.437 -7.331 7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.551 -6.082 7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.372 -6.344 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.320 -6.688 6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.181 -5.670 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.886 -4.971 5.867 1.00 0.00 H new ATOM 166 N TYR A 29 -7.481 -4.297 5.550 1.00 0.00 N ATOM 167 CA TYR A 29 -8.861 -4.114 5.937 1.00 0.00 C ATOM 168 C TYR A 29 -9.099 -4.916 7.201 1.00 0.00 C ATOM 169 O TYR A 29 -8.448 -5.940 7.406 1.00 0.00 O ATOM 170 CB TYR A 29 -9.775 -4.592 4.807 1.00 0.00 C ATOM 171 CG TYR A 29 -11.251 -4.479 5.108 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.864 -3.239 5.221 1.00 0.00 C ATOM 173 CD2 TYR A 29 -12.034 -5.616 5.270 1.00 0.00 C ATOM 174 CE1 TYR A 29 -13.216 -3.135 5.487 1.00 0.00 C ATOM 175 CE2 TYR A 29 -13.385 -5.519 5.539 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.971 -4.278 5.646 1.00 0.00 C ATOM 177 OH TYR A 29 -15.319 -4.179 5.909 1.00 0.00 O ATOM 0 H TYR A 29 -7.294 -5.185 5.084 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.079 -3.063 6.124 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.555 -4.015 3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.541 -5.633 4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.275 -2.342 5.099 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.578 -6.591 5.184 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.679 -2.163 5.570 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.979 -6.412 5.665 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.703 -5.077 5.992 1.00 0.00 H new ATOM 187 N ASN A 30 -9.993 -4.437 8.059 1.00 0.00 N ATOM 188 CA ASN A 30 -10.307 -5.136 9.300 1.00 0.00 C ATOM 189 C ASN A 30 -10.780 -6.550 8.998 1.00 0.00 C ATOM 190 O ASN A 30 -11.937 -6.764 8.632 1.00 0.00 O ATOM 191 CB ASN A 30 -11.385 -4.390 10.093 1.00 0.00 C ATOM 192 CG ASN A 30 -10.942 -3.015 10.562 1.00 0.00 C ATOM 193 OD1 ASN A 30 -11.758 -2.102 10.694 1.00 0.00 O ATOM 194 ND2 ASN A 30 -9.653 -2.853 10.822 1.00 0.00 N ATOM 0 H ASN A 30 -10.512 -3.570 7.919 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.400 -5.178 9.903 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.275 -4.285 9.473 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.668 -4.988 10.959 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.307 -1.949 11.143 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.006 -3.633 10.701 1.00 0.00 H new ATOM 201 N GLY A 31 -9.875 -7.505 9.150 1.00 0.00 N ATOM 202 CA GLY A 31 -10.174 -8.871 8.802 1.00 0.00 C ATOM 203 C GLY A 31 -9.007 -9.567 8.133 1.00 0.00 C ATOM 204 O GLY A 31 -8.528 -10.589 8.628 1.00 0.00 O ATOM 0 H GLY A 31 -8.933 -7.353 9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.453 -9.419 9.702 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.036 -8.893 8.136 1.00 0.00 H new ATOM 208 N ARG A 32 -8.526 -9.014 7.019 1.00 0.00 N ATOM 209 CA ARG A 32 -7.473 -9.669 6.250 1.00 0.00 C ATOM 210 C ARG A 32 -6.897 -8.733 5.184 1.00 0.00 C ATOM 211 O ARG A 32 -7.413 -7.635 4.961 1.00 0.00 O ATOM 212 CB ARG A 32 -8.033 -10.928 5.573 1.00 0.00 C ATOM 213 CG ARG A 32 -6.998 -12.013 5.325 1.00 0.00 C ATOM 214 CD ARG A 32 -6.480 -12.580 6.635 1.00 0.00 C ATOM 215 NE ARG A 32 -5.522 -13.662 6.430 1.00 0.00 N ATOM 216 CZ ARG A 32 -5.376 -14.688 7.265 1.00 0.00 C ATOM 217 NH1 ARG A 32 -6.162 -14.813 8.330 1.00 0.00 N ATOM 218 NH2 ARG A 32 -4.448 -15.603 7.028 1.00 0.00 N ATOM 0 H ARG A 32 -8.845 -8.125 6.634 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.672 -9.940 6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.830 -11.337 6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.483 -10.646 4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.439 -12.811 4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.168 -11.604 4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.008 -11.784 7.211 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.319 -12.947 7.226 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.931 -13.630 5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.886 -14.118 8.514 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.041 -15.603 8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.848 -15.520 6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.334 -16.391 7.666 1.00 0.00 H new ATOM 232 N HIS A 33 -5.802 -9.177 4.566 1.00 0.00 N ATOM 233 CA HIS A 33 -5.225 -8.534 3.385 1.00 0.00 C ATOM 234 C HIS A 33 -6.316 -8.213 2.368 1.00 0.00 C ATOM 235 O HIS A 33 -6.950 -9.114 1.825 1.00 0.00 O ATOM 236 CB HIS A 33 -4.178 -9.492 2.787 1.00 0.00 C ATOM 237 CG HIS A 33 -3.672 -9.163 1.406 1.00 0.00 C ATOM 238 ND1 HIS A 33 -4.278 -9.614 0.255 1.00 0.00 N ATOM 239 CD2 HIS A 33 -2.566 -8.493 0.998 1.00 0.00 C ATOM 240 CE1 HIS A 33 -3.570 -9.243 -0.794 1.00 0.00 C ATOM 241 NE2 HIS A 33 -2.520 -8.559 -0.377 1.00 0.00 N ATOM 0 H HIS A 33 -5.286 -10.001 4.874 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.750 -7.592 3.659 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.324 -9.528 3.463 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.607 -10.494 2.763 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.850 -7.997 1.636 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.809 -9.462 -1.824 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.799 -8.150 -0.971 1.00 0.00 H new ATOM 250 N TRP A 34 -6.550 -6.928 2.134 1.00 0.00 N ATOM 251 CA TRP A 34 -7.601 -6.515 1.212 1.00 0.00 C ATOM 252 C TRP A 34 -7.056 -6.381 -0.207 1.00 0.00 C ATOM 253 O TRP A 34 -7.555 -7.018 -1.137 1.00 0.00 O ATOM 254 CB TRP A 34 -8.223 -5.192 1.667 1.00 0.00 C ATOM 255 CG TRP A 34 -9.471 -4.832 0.916 1.00 0.00 C ATOM 256 CD1 TRP A 34 -10.742 -5.248 1.195 1.00 0.00 C ATOM 257 CD2 TRP A 34 -9.571 -3.984 -0.237 1.00 0.00 C ATOM 258 NE1 TRP A 34 -11.623 -4.722 0.280 1.00 0.00 N ATOM 259 CE2 TRP A 34 -10.928 -3.942 -0.607 1.00 0.00 C ATOM 260 CE3 TRP A 34 -8.644 -3.260 -0.995 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -11.380 -3.203 -1.698 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -9.094 -2.529 -2.076 1.00 0.00 C ATOM 263 CH2 TRP A 34 -10.450 -2.505 -2.419 1.00 0.00 C ATOM 0 H TRP A 34 -6.033 -6.161 2.564 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.374 -7.284 1.212 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.453 -5.254 2.731 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -7.491 -4.394 1.545 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.015 -5.896 2.015 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -12.630 -4.886 0.264 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.595 -3.273 -0.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -12.426 -3.182 -1.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.387 -1.966 -2.667 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -10.770 -1.923 -3.271 1.00 0.00 H new ATOM 274 N GLY A 35 -6.023 -5.564 -0.361 1.00 0.00 N ATOM 275 CA GLY A 35 -5.437 -5.346 -1.667 1.00 0.00 C ATOM 276 C GLY A 35 -4.034 -4.795 -1.564 1.00 0.00 C ATOM 277 O GLY A 35 -3.591 -4.427 -0.472 1.00 0.00 O ATOM 0 H GLY A 35 -5.580 -5.047 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.420 -6.285 -2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.059 -4.654 -2.234 1.00 0.00 H new ATOM 281 N THR A 36 -3.322 -4.754 -2.683 1.00 0.00 N ATOM 282 CA THR A 36 -1.957 -4.264 -2.688 1.00 0.00 C ATOM 283 C THR A 36 -1.558 -3.724 -4.065 1.00 0.00 C ATOM 284 O THR A 36 -2.041 -4.194 -5.096 1.00 0.00 O ATOM 285 CB THR A 36 -0.984 -5.373 -2.249 1.00 0.00 C ATOM 286 OG1 THR A 36 0.326 -4.836 -2.072 1.00 0.00 O ATOM 287 CG2 THR A 36 -0.942 -6.489 -3.273 1.00 0.00 C ATOM 0 H THR A 36 -3.669 -5.054 -3.594 1.00 0.00 H new ATOM 0 HA THR A 36 -1.900 -3.441 -1.976 1.00 0.00 H new ATOM 0 HB THR A 36 -1.339 -5.781 -1.302 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.261 -3.920 -1.730 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.248 -7.261 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.937 -6.919 -3.383 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.610 -6.091 -4.232 1.00 0.00 H new ATOM 295 N ILE A 37 -0.694 -2.714 -4.062 1.00 0.00 N ATOM 296 CA ILE A 37 -0.139 -2.156 -5.288 1.00 0.00 C ATOM 297 C ILE A 37 1.385 -2.145 -5.175 1.00 0.00 C ATOM 298 O ILE A 37 1.936 -1.654 -4.185 1.00 0.00 O ATOM 299 CB ILE A 37 -0.634 -0.709 -5.585 1.00 0.00 C ATOM 300 CG1 ILE A 37 -2.155 -0.641 -5.787 1.00 0.00 C ATOM 301 CG2 ILE A 37 0.070 -0.150 -6.815 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.956 -0.701 -4.503 1.00 0.00 C ATOM 0 H ILE A 37 -0.360 -2.261 -3.211 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.478 -2.784 -6.112 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.388 -0.105 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.399 0.283 -6.312 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.462 -1.464 -6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.286 0.862 -7.010 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.146 -0.128 -6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.145 -0.783 -7.676 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.020 -0.647 -4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.744 -1.637 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.681 0.138 -3.863 1.00 0.00 H new ATOM 314 N ARG A 38 2.061 -2.700 -6.172 1.00 0.00 N ATOM 315 CA ARG A 38 3.513 -2.804 -6.137 1.00 0.00 C ATOM 316 C ARG A 38 4.157 -1.546 -6.706 1.00 0.00 C ATOM 317 O ARG A 38 3.991 -1.229 -7.881 1.00 0.00 O ATOM 318 CB ARG A 38 3.979 -4.046 -6.903 1.00 0.00 C ATOM 319 CG ARG A 38 5.439 -4.387 -6.667 1.00 0.00 C ATOM 320 CD ARG A 38 5.752 -5.827 -7.047 1.00 0.00 C ATOM 321 NE ARG A 38 5.572 -6.094 -8.471 1.00 0.00 N ATOM 322 CZ ARG A 38 5.580 -7.320 -9.003 1.00 0.00 C ATOM 323 NH1 ARG A 38 5.659 -8.394 -8.223 1.00 0.00 N ATOM 324 NH2 ARG A 38 5.495 -7.478 -10.316 1.00 0.00 N ATOM 0 H ARG A 38 1.629 -3.084 -7.012 1.00 0.00 H new ATOM 0 HA ARG A 38 3.826 -2.904 -5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.363 -4.896 -6.611 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.818 -3.888 -7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.068 -3.713 -7.248 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.685 -4.227 -5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.781 -6.055 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.110 -6.496 -6.474 1.00 0.00 H new ATOM 0 HE ARG A 38 5.432 -5.300 -9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.714 -8.286 -7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.664 -9.326 -8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.423 -6.662 -10.924 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.501 -8.415 -10.718 1.00 0.00 H new ATOM 338 N LYS A 39 4.884 -0.830 -5.860 1.00 0.00 N ATOM 339 CA LYS A 39 5.536 0.408 -6.267 1.00 0.00 C ATOM 340 C LYS A 39 6.810 0.629 -5.454 1.00 0.00 C ATOM 341 O LYS A 39 6.905 0.200 -4.303 1.00 0.00 O ATOM 342 CB LYS A 39 4.577 1.597 -6.095 1.00 0.00 C ATOM 343 CG LYS A 39 5.141 2.913 -6.614 1.00 0.00 C ATOM 344 CD LYS A 39 4.128 4.047 -6.538 1.00 0.00 C ATOM 345 CE LYS A 39 2.914 3.783 -7.414 1.00 0.00 C ATOM 346 NZ LYS A 39 2.034 4.980 -7.520 1.00 0.00 N ATOM 0 H LYS A 39 5.038 -1.086 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 39 5.806 0.330 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.645 1.380 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.333 1.707 -5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.025 3.180 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.463 2.785 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.808 4.179 -5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.602 4.979 -6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.243 3.485 -8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.345 2.949 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.147 4.718 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.823 5.341 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.517 5.718 -8.071 1.00 0.00 H new ATOM 360 N LYS A 40 7.791 1.277 -6.071 1.00 0.00 N ATOM 361 CA LYS A 40 9.064 1.569 -5.418 1.00 0.00 C ATOM 362 C LYS A 40 8.867 2.561 -4.276 1.00 0.00 C ATOM 363 O LYS A 40 8.004 3.441 -4.347 1.00 0.00 O ATOM 364 CB LYS A 40 10.065 2.125 -6.439 1.00 0.00 C ATOM 365 CG LYS A 40 10.177 1.276 -7.695 1.00 0.00 C ATOM 366 CD LYS A 40 11.331 1.718 -8.579 1.00 0.00 C ATOM 367 CE LYS A 40 12.675 1.463 -7.913 1.00 0.00 C ATOM 368 NZ LYS A 40 13.808 1.655 -8.859 1.00 0.00 N ATOM 0 H LYS A 40 7.729 1.614 -7.032 1.00 0.00 H new ATOM 0 HA LYS A 40 9.461 0.643 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.766 3.136 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.047 2.201 -5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.314 0.231 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.245 1.336 -8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.288 1.185 -9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.232 2.780 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.793 2.136 -7.064 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.698 0.447 -7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.697 1.374 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.657 1.069 -9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.863 2.656 -9.136 1.00 0.00 H new ATOM 382 N ALA A 41 9.661 2.402 -3.221 1.00 0.00 N ATOM 383 CA ALA A 41 9.559 3.250 -2.040 1.00 0.00 C ATOM 384 C ALA A 41 9.857 4.708 -2.378 1.00 0.00 C ATOM 385 O ALA A 41 10.737 4.997 -3.185 1.00 0.00 O ATOM 386 CB ALA A 41 10.507 2.757 -0.957 1.00 0.00 C ATOM 0 H ALA A 41 10.387 1.688 -3.161 1.00 0.00 H new ATOM 0 HA ALA A 41 8.535 3.193 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.422 3.398 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.248 1.734 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.531 2.785 -1.329 1.00 0.00 H new ATOM 392 N GLY A 42 9.113 5.616 -1.759 1.00 0.00 N ATOM 393 CA GLY A 42 9.301 7.030 -2.003 1.00 0.00 C ATOM 394 C GLY A 42 8.163 7.618 -2.801 1.00 0.00 C ATOM 395 O GLY A 42 7.849 8.801 -2.680 1.00 0.00 O ATOM 0 H GLY A 42 8.378 5.394 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.387 7.555 -1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.238 7.185 -2.538 1.00 0.00 H new ATOM 399 N TRP A 43 7.536 6.785 -3.611 1.00 0.00 N ATOM 400 CA TRP A 43 6.420 7.216 -4.429 1.00 0.00 C ATOM 401 C TRP A 43 5.101 6.886 -3.744 1.00 0.00 C ATOM 402 O TRP A 43 4.985 5.879 -3.038 1.00 0.00 O ATOM 403 CB TRP A 43 6.498 6.556 -5.803 1.00 0.00 C ATOM 404 CG TRP A 43 7.789 6.835 -6.510 1.00 0.00 C ATOM 405 CD1 TRP A 43 8.827 5.968 -6.696 1.00 0.00 C ATOM 406 CD2 TRP A 43 8.189 8.075 -7.104 1.00 0.00 C ATOM 407 NE1 TRP A 43 9.843 6.591 -7.379 1.00 0.00 N ATOM 408 CE2 TRP A 43 9.476 7.886 -7.638 1.00 0.00 C ATOM 409 CE3 TRP A 43 7.583 9.328 -7.238 1.00 0.00 C ATOM 410 CZ2 TRP A 43 10.164 8.902 -8.294 1.00 0.00 C ATOM 411 CZ3 TRP A 43 8.268 10.334 -7.890 1.00 0.00 C ATOM 412 CH2 TRP A 43 9.546 10.117 -8.411 1.00 0.00 C ATOM 0 H TRP A 43 7.783 5.801 -3.719 1.00 0.00 H new ATOM 0 HA TRP A 43 6.472 8.297 -4.559 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.376 5.479 -5.691 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.669 6.908 -6.417 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.846 4.943 -6.356 1.00 0.00 H new ATOM 0 HE1 TRP A 43 10.727 6.160 -7.650 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.596 9.506 -6.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.152 8.737 -8.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.808 11.305 -7.999 1.00 0.00 H new ATOM 0 HH2 TRP A 43 10.056 10.924 -8.916 1.00 0.00 H new ATOM 423 N ALA A 44 4.117 7.750 -3.944 1.00 0.00 N ATOM 424 CA ALA A 44 2.819 7.595 -3.319 1.00 0.00 C ATOM 425 C ALA A 44 2.013 6.503 -4.012 1.00 0.00 C ATOM 426 O ALA A 44 1.926 6.463 -5.240 1.00 0.00 O ATOM 427 CB ALA A 44 2.062 8.914 -3.355 1.00 0.00 C ATOM 0 H ALA A 44 4.198 8.573 -4.541 1.00 0.00 H new ATOM 0 HA ALA A 44 2.968 7.301 -2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.088 8.787 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.629 9.674 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.926 9.227 -4.390 1.00 0.00 H new ATOM 433 N VAL A 45 1.441 5.610 -3.224 1.00 0.00 N ATOM 434 CA VAL A 45 0.607 4.548 -3.758 1.00 0.00 C ATOM 435 C VAL A 45 -0.849 4.853 -3.469 1.00 0.00 C ATOM 436 O VAL A 45 -1.202 5.198 -2.337 1.00 0.00 O ATOM 437 CB VAL A 45 0.950 3.174 -3.147 1.00 0.00 C ATOM 438 CG1 VAL A 45 0.994 2.101 -4.219 1.00 0.00 C ATOM 439 CG2 VAL A 45 2.256 3.236 -2.378 1.00 0.00 C ATOM 0 H VAL A 45 1.539 5.599 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 45 0.791 4.501 -4.831 1.00 0.00 H new ATOM 0 HB VAL A 45 0.161 2.909 -2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.238 1.141 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.022 2.034 -4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.754 2.356 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.477 2.255 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.061 3.531 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.170 3.966 -1.573 1.00 0.00 H new ATOM 449 N ARG A 46 -1.687 4.743 -4.483 1.00 0.00 N ATOM 450 CA ARG A 46 -3.099 5.020 -4.314 1.00 0.00 C ATOM 451 C ARG A 46 -3.826 3.771 -3.821 1.00 0.00 C ATOM 452 O ARG A 46 -3.658 2.680 -4.367 1.00 0.00 O ATOM 453 CB ARG A 46 -3.735 5.538 -5.623 1.00 0.00 C ATOM 454 CG ARG A 46 -4.168 4.457 -6.615 1.00 0.00 C ATOM 455 CD ARG A 46 -2.990 3.719 -7.239 1.00 0.00 C ATOM 456 NE ARG A 46 -3.428 2.642 -8.128 1.00 0.00 N ATOM 457 CZ ARG A 46 -3.436 2.723 -9.461 1.00 0.00 C ATOM 458 NH1 ARG A 46 -3.094 3.852 -10.068 1.00 0.00 N ATOM 459 NH2 ARG A 46 -3.793 1.672 -10.188 1.00 0.00 N ATOM 0 H ARG A 46 -1.416 4.465 -5.426 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.200 5.806 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.605 6.144 -5.369 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.021 6.197 -6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.811 3.740 -6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.764 4.914 -7.405 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.376 4.424 -7.799 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.362 3.305 -6.450 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.748 1.773 -7.701 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.823 4.666 -9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.103 3.906 -11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.062 0.802 -9.729 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.799 1.734 -11.206 1.00 0.00 H new ATOM 473 N PHE A 47 -4.597 3.929 -2.765 1.00 0.00 N ATOM 474 CA PHE A 47 -5.423 2.850 -2.262 1.00 0.00 C ATOM 475 C PHE A 47 -6.874 3.287 -2.272 1.00 0.00 C ATOM 476 O PHE A 47 -7.224 4.312 -1.692 1.00 0.00 O ATOM 477 CB PHE A 47 -5.001 2.452 -0.849 1.00 0.00 C ATOM 478 CG PHE A 47 -3.563 2.030 -0.752 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.173 0.761 -1.149 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.605 2.901 -0.263 1.00 0.00 C ATOM 481 CE1 PHE A 47 -1.852 0.370 -1.060 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.283 2.514 -0.172 1.00 0.00 C ATOM 483 CZ PHE A 47 -0.906 1.248 -0.571 1.00 0.00 C ATOM 0 H PHE A 47 -4.669 4.798 -2.236 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.298 1.979 -2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.171 3.293 -0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.636 1.635 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.910 0.071 -1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.895 3.893 0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.559 -0.621 -1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.544 3.202 0.211 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.128 0.945 -0.501 1.00 0.00 H new ATOM 493 N TYR A 48 -7.707 2.522 -2.947 1.00 0.00 N ATOM 494 CA TYR A 48 -9.111 2.861 -3.088 1.00 0.00 C ATOM 495 C TYR A 48 -9.952 1.600 -3.079 1.00 0.00 C ATOM 496 O TYR A 48 -9.491 0.534 -3.487 1.00 0.00 O ATOM 497 CB TYR A 48 -9.336 3.655 -4.379 1.00 0.00 C ATOM 498 CG TYR A 48 -8.881 2.943 -5.633 1.00 0.00 C ATOM 499 CD1 TYR A 48 -7.552 2.981 -6.036 1.00 0.00 C ATOM 500 CD2 TYR A 48 -9.785 2.242 -6.418 1.00 0.00 C ATOM 501 CE1 TYR A 48 -7.138 2.339 -7.184 1.00 0.00 C ATOM 502 CE2 TYR A 48 -9.378 1.594 -7.567 1.00 0.00 C ATOM 503 CZ TYR A 48 -8.053 1.645 -7.945 1.00 0.00 C ATOM 504 OH TYR A 48 -7.645 1.009 -9.092 1.00 0.00 O ATOM 0 H TYR A 48 -7.435 1.655 -3.410 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.414 3.484 -2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.398 3.885 -4.470 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.809 4.606 -4.304 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.832 3.522 -5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.824 2.203 -6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.102 2.380 -7.485 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.093 1.050 -8.166 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.412 0.565 -9.511 1.00 0.00 H new ATOM 514 N GLU A 49 -11.175 1.725 -2.601 1.00 0.00 N ATOM 515 CA GLU A 49 -12.063 0.587 -2.483 1.00 0.00 C ATOM 516 C GLU A 49 -12.974 0.490 -3.693 1.00 0.00 C ATOM 517 O GLU A 49 -13.419 1.508 -4.235 1.00 0.00 O ATOM 518 CB GLU A 49 -12.904 0.686 -1.205 1.00 0.00 C ATOM 519 CG GLU A 49 -13.889 1.846 -1.206 1.00 0.00 C ATOM 520 CD GLU A 49 -14.778 1.857 0.017 1.00 0.00 C ATOM 521 OE1 GLU A 49 -15.513 0.871 0.232 1.00 0.00 O ATOM 522 OE2 GLU A 49 -14.768 2.860 0.753 1.00 0.00 O ATOM 0 H GLU A 49 -11.577 2.608 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.450 -0.313 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.454 -0.245 -1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.237 0.789 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.338 2.785 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.509 1.790 -2.101 1.00 0.00 H new ATOM 529 N GLU A 50 -13.235 -0.726 -4.130 1.00 0.00 N ATOM 530 CA GLU A 50 -14.204 -0.951 -5.180 1.00 0.00 C ATOM 531 C GLU A 50 -15.343 -1.821 -4.674 1.00 0.00 C ATOM 532 O GLU A 50 -15.205 -3.034 -4.519 1.00 0.00 O ATOM 533 CB GLU A 50 -13.550 -1.563 -6.422 1.00 0.00 C ATOM 534 CG GLU A 50 -12.576 -2.692 -6.141 1.00 0.00 C ATOM 535 CD GLU A 50 -12.018 -3.284 -7.417 1.00 0.00 C ATOM 536 OE1 GLU A 50 -11.319 -2.560 -8.158 1.00 0.00 O ATOM 537 OE2 GLU A 50 -12.302 -4.465 -7.697 1.00 0.00 O ATOM 0 H GLU A 50 -12.789 -1.572 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.615 0.015 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.334 -1.935 -7.082 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.025 -0.776 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.757 -2.321 -5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.079 -3.471 -5.568 1.00 0.00 H new ATOM 544 N LYS A 51 -16.456 -1.177 -4.388 1.00 0.00 N ATOM 545 CA LYS A 51 -17.649 -1.865 -3.938 1.00 0.00 C ATOM 546 C LYS A 51 -18.692 -1.792 -5.039 1.00 0.00 C ATOM 547 O LYS A 51 -19.039 -0.700 -5.478 1.00 0.00 O ATOM 548 CB LYS A 51 -18.185 -1.210 -2.664 1.00 0.00 C ATOM 549 CG LYS A 51 -17.178 -1.156 -1.525 1.00 0.00 C ATOM 550 CD LYS A 51 -16.895 -2.536 -0.955 1.00 0.00 C ATOM 551 CE LYS A 51 -15.809 -2.491 0.111 1.00 0.00 C ATOM 552 NZ LYS A 51 -16.113 -1.502 1.181 1.00 0.00 N ATOM 0 H LYS A 51 -16.559 -0.165 -4.461 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.415 -2.906 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.508 -0.196 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.067 -1.757 -2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.248 -0.713 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.557 -0.507 -0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.809 -2.948 -0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.589 -3.206 -1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.696 -3.480 0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.856 -2.239 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.723 -1.838 2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.685 -0.586 0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.143 -1.391 1.268 1.00 0.00 H new ATOM 566 N PRO A 52 -19.184 -2.951 -5.511 1.00 0.00 N ATOM 567 CA PRO A 52 -20.123 -3.016 -6.641 1.00 0.00 C ATOM 568 C PRO A 52 -21.290 -2.048 -6.487 1.00 0.00 C ATOM 569 O PRO A 52 -22.089 -2.159 -5.553 1.00 0.00 O ATOM 570 CB PRO A 52 -20.614 -4.463 -6.602 1.00 0.00 C ATOM 571 CG PRO A 52 -19.491 -5.219 -5.985 1.00 0.00 C ATOM 572 CD PRO A 52 -18.867 -4.290 -4.981 1.00 0.00 C ATOM 0 HA PRO A 52 -19.651 -2.735 -7.582 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.527 -4.557 -6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -20.840 -4.833 -7.602 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -19.851 -6.128 -5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -18.765 -5.523 -6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -19.284 -4.437 -3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.791 -4.447 -4.903 1.00 0.00 H new ATOM 580 N GLY A 53 -21.374 -1.095 -7.405 1.00 0.00 N ATOM 581 CA GLY A 53 -22.422 -0.099 -7.357 1.00 0.00 C ATOM 582 C GLY A 53 -21.895 1.260 -6.951 1.00 0.00 C ATOM 583 O GLY A 53 -22.450 2.293 -7.335 1.00 0.00 O ATOM 0 H GLY A 53 -20.728 -0.995 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.898 -0.026 -8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.191 -0.415 -6.652 1.00 0.00 H new ATOM 587 N GLN A 54 -20.815 1.261 -6.185 1.00 0.00 N ATOM 588 CA GLN A 54 -20.213 2.494 -5.703 1.00 0.00 C ATOM 589 C GLN A 54 -18.939 2.796 -6.484 1.00 0.00 C ATOM 590 O GLN A 54 -18.170 1.889 -6.810 1.00 0.00 O ATOM 591 CB GLN A 54 -19.876 2.384 -4.212 1.00 0.00 C ATOM 592 CG GLN A 54 -21.073 2.098 -3.322 1.00 0.00 C ATOM 593 CD GLN A 54 -20.723 2.130 -1.843 1.00 0.00 C ATOM 594 OE1 GLN A 54 -21.561 2.451 -1.004 1.00 0.00 O ATOM 595 NE2 GLN A 54 -19.479 1.810 -1.513 1.00 0.00 N ATOM 0 H GLN A 54 -20.334 0.414 -5.882 1.00 0.00 H new ATOM 0 HA GLN A 54 -20.931 3.301 -5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.139 1.593 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -19.410 3.314 -3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -21.854 2.832 -3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -21.483 1.120 -3.574 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -18.810 1.548 -2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -19.191 1.825 -0.535 1.00 0.00 H new ATOM 604 N PRO A 55 -18.711 4.076 -6.810 1.00 0.00 N ATOM 605 CA PRO A 55 -17.474 4.523 -7.457 1.00 0.00 C ATOM 606 C PRO A 55 -16.257 4.252 -6.586 1.00 0.00 C ATOM 607 O PRO A 55 -16.371 4.093 -5.367 1.00 0.00 O ATOM 608 CB PRO A 55 -17.673 6.032 -7.630 1.00 0.00 C ATOM 609 CG PRO A 55 -19.146 6.237 -7.542 1.00 0.00 C ATOM 610 CD PRO A 55 -19.645 5.189 -6.591 1.00 0.00 C ATOM 0 HA PRO A 55 -17.293 4.000 -8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -17.149 6.591 -6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -17.283 6.375 -8.588 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -19.381 7.238 -7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -19.615 6.133 -8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -19.623 5.537 -5.558 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -20.674 4.902 -6.809 1.00 0.00 H new ATOM 618 N LYS A 56 -15.093 4.219 -7.215 1.00 0.00 N ATOM 619 CA LYS A 56 -13.856 3.897 -6.516 1.00 0.00 C ATOM 620 C LYS A 56 -13.468 5.045 -5.596 1.00 0.00 C ATOM 621 O LYS A 56 -13.247 6.169 -6.050 1.00 0.00 O ATOM 622 CB LYS A 56 -12.729 3.607 -7.517 1.00 0.00 C ATOM 623 CG LYS A 56 -13.104 2.612 -8.601 1.00 0.00 C ATOM 624 CD LYS A 56 -13.779 1.401 -8.005 1.00 0.00 C ATOM 625 CE LYS A 56 -14.397 0.510 -9.071 1.00 0.00 C ATOM 626 NZ LYS A 56 -13.368 -0.157 -9.913 1.00 0.00 N ATOM 0 H LYS A 56 -14.977 4.411 -8.210 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.016 3.001 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.425 4.542 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.864 3.227 -6.974 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.769 3.087 -9.323 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.210 2.305 -9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.052 0.827 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.553 1.724 -7.309 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.019 -0.247 -8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.052 1.107 -9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.836 -0.754 -10.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.790 0.564 -10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.758 -0.748 -9.313 1.00 0.00 H new ATOM 640 N ARG A 57 -13.382 4.753 -4.307 1.00 0.00 N ATOM 641 CA ARG A 57 -13.177 5.778 -3.297 1.00 0.00 C ATOM 642 C ARG A 57 -11.808 5.615 -2.654 1.00 0.00 C ATOM 643 O ARG A 57 -11.453 4.517 -2.231 1.00 0.00 O ATOM 644 CB ARG A 57 -14.273 5.672 -2.230 1.00 0.00 C ATOM 645 CG ARG A 57 -14.160 6.705 -1.124 1.00 0.00 C ATOM 646 CD ARG A 57 -14.434 8.107 -1.640 1.00 0.00 C ATOM 647 NE ARG A 57 -14.043 9.123 -0.669 1.00 0.00 N ATOM 648 CZ ARG A 57 -14.761 10.198 -0.372 1.00 0.00 C ATOM 649 NH1 ARG A 57 -15.942 10.406 -0.948 1.00 0.00 N ATOM 650 NH2 ARG A 57 -14.303 11.065 0.519 1.00 0.00 N ATOM 0 H ARG A 57 -13.452 3.806 -3.934 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.226 6.759 -3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.246 5.775 -2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.240 4.676 -1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.865 6.465 -0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.162 6.665 -0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.891 8.265 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.495 8.210 -1.868 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.154 8.998 -0.184 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.304 9.735 -1.626 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.485 11.236 -0.712 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.403 10.904 0.972 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.850 11.894 0.752 1.00 0.00 H new ATOM 664 N LEU A 58 -11.040 6.699 -2.598 1.00 0.00 N ATOM 665 CA LEU A 58 -9.728 6.669 -1.970 1.00 0.00 C ATOM 666 C LEU A 58 -9.840 6.335 -0.492 1.00 0.00 C ATOM 667 O LEU A 58 -10.580 6.982 0.250 1.00 0.00 O ATOM 668 CB LEU A 58 -9.009 8.004 -2.144 1.00 0.00 C ATOM 669 CG LEU A 58 -8.191 8.141 -3.426 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.519 9.502 -3.491 1.00 0.00 C ATOM 671 CD2 LEU A 58 -7.156 7.029 -3.507 1.00 0.00 C ATOM 0 H LEU A 58 -11.305 7.607 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.146 5.890 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.750 8.803 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.347 8.155 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.864 8.055 -4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.941 9.579 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.278 10.284 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.855 9.621 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.578 7.136 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.488 7.091 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.660 6.062 -3.506 1.00 0.00 H new ATOM 683 N VAL A 59 -9.100 5.324 -0.077 1.00 0.00 N ATOM 684 CA VAL A 59 -9.140 4.867 1.300 1.00 0.00 C ATOM 685 C VAL A 59 -7.810 5.128 1.987 1.00 0.00 C ATOM 686 O VAL A 59 -7.721 5.093 3.214 1.00 0.00 O ATOM 687 CB VAL A 59 -9.487 3.366 1.399 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.801 3.076 0.695 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.371 2.504 0.829 1.00 0.00 C ATOM 0 H VAL A 59 -8.461 4.801 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.927 5.430 1.802 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.596 3.115 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.030 2.013 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.599 3.655 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.719 3.351 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.645 1.452 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.216 2.756 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.451 2.685 1.385 1.00 0.00 H new ATOM 699 N ALA A 60 -6.775 5.368 1.185 1.00 0.00 N ATOM 700 CA ALA A 60 -5.463 5.684 1.711 1.00 0.00 C ATOM 701 C ALA A 60 -4.502 6.102 0.617 1.00 0.00 C ATOM 702 O ALA A 60 -4.504 5.555 -0.485 1.00 0.00 O ATOM 703 CB ALA A 60 -4.888 4.494 2.451 1.00 0.00 C ATOM 0 H ALA A 60 -6.827 5.348 0.167 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.587 6.521 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.902 4.749 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.546 4.227 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.802 3.648 1.769 1.00 0.00 H new ATOM 709 N ILE A 61 -3.694 7.088 0.929 1.00 0.00 N ATOM 710 CA ILE A 61 -2.561 7.435 0.111 1.00 0.00 C ATOM 711 C ILE A 61 -1.323 7.220 0.955 1.00 0.00 C ATOM 712 O ILE A 61 -1.119 7.922 1.946 1.00 0.00 O ATOM 713 CB ILE A 61 -2.599 8.900 -0.388 1.00 0.00 C ATOM 714 CG1 ILE A 61 -3.858 9.176 -1.219 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.352 9.191 -1.198 1.00 0.00 C ATOM 716 CD1 ILE A 61 -5.082 9.485 -0.386 1.00 0.00 C ATOM 0 H ILE A 61 -3.806 7.671 1.758 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.568 6.809 -0.781 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.630 9.560 0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.664 10.014 -1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.066 8.309 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.379 10.222 -1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.470 9.043 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.309 8.517 -2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.932 9.669 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.303 8.639 0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.895 10.370 0.222 1.00 0.00 H new ATOM 728 N CYS A 62 -0.517 6.239 0.609 1.00 0.00 N ATOM 729 CA CYS A 62 0.584 5.878 1.477 1.00 0.00 C ATOM 730 C CYS A 62 1.877 5.825 0.699 1.00 0.00 C ATOM 731 O CYS A 62 1.889 5.504 -0.485 1.00 0.00 O ATOM 732 CB CYS A 62 0.316 4.533 2.158 1.00 0.00 C ATOM 733 SG CYS A 62 1.320 4.255 3.648 1.00 0.00 S ATOM 0 H CYS A 62 -0.599 5.689 -0.246 1.00 0.00 H new ATOM 0 HA CYS A 62 0.675 6.643 2.248 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.739 4.475 2.426 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.509 3.731 1.446 1.00 0.00 H new ATOM 738 N LYS A 63 2.960 6.167 1.364 1.00 0.00 N ATOM 739 CA LYS A 63 4.271 6.100 0.765 1.00 0.00 C ATOM 740 C LYS A 63 5.292 5.773 1.836 1.00 0.00 C ATOM 741 O LYS A 63 5.017 5.889 3.027 1.00 0.00 O ATOM 742 CB LYS A 63 4.612 7.416 0.070 1.00 0.00 C ATOM 743 CG LYS A 63 4.807 8.589 1.009 1.00 0.00 C ATOM 744 CD LYS A 63 4.852 9.891 0.234 1.00 0.00 C ATOM 745 CE LYS A 63 3.457 10.321 -0.197 1.00 0.00 C ATOM 746 NZ LYS A 63 3.463 11.612 -0.932 1.00 0.00 N ATOM 0 H LYS A 63 2.955 6.497 2.329 1.00 0.00 H new ATOM 0 HA LYS A 63 4.284 5.315 0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.522 7.279 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.815 7.658 -0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.995 8.620 1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.732 8.462 1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.302 10.669 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.487 9.773 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.021 9.548 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.819 10.410 0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.491 11.861 -1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.854 12.357 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.049 11.522 -1.787 1.00 0.00 H new ATOM 760 N ASN A 64 6.457 5.346 1.414 1.00 0.00 N ATOM 761 CA ASN A 64 7.483 4.928 2.350 1.00 0.00 C ATOM 762 C ASN A 64 8.372 6.103 2.723 1.00 0.00 C ATOM 763 O ASN A 64 8.728 6.899 1.857 1.00 0.00 O ATOM 764 CB ASN A 64 8.304 3.788 1.755 1.00 0.00 C ATOM 765 CG ASN A 64 9.479 3.392 2.620 1.00 0.00 C ATOM 766 OD1 ASN A 64 9.361 2.560 3.513 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.623 3.987 2.356 1.00 0.00 N ATOM 0 H ASN A 64 6.722 5.277 0.432 1.00 0.00 H new ATOM 0 HA ASN A 64 7.004 4.566 3.260 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.659 2.921 1.609 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.668 4.085 0.771 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.454 3.761 2.903 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.679 4.674 1.604 1.00 0.00 H new ATOM 774 N ALA A 65 8.704 6.202 4.012 1.00 0.00 N ATOM 775 CA ALA A 65 9.421 7.355 4.570 1.00 0.00 C ATOM 776 C ALA A 65 10.582 7.808 3.684 1.00 0.00 C ATOM 777 O ALA A 65 10.722 8.998 3.390 1.00 0.00 O ATOM 778 CB ALA A 65 9.927 7.024 5.967 1.00 0.00 C ATOM 0 H ALA A 65 8.483 5.484 4.702 1.00 0.00 H new ATOM 0 HA ALA A 65 8.714 8.183 4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.458 7.884 6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.083 6.780 6.611 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.603 6.171 5.916 1.00 0.00 H new ATOM 784 N SER A 66 11.406 6.856 3.272 1.00 0.00 N ATOM 785 CA SER A 66 12.545 7.139 2.409 1.00 0.00 C ATOM 786 C SER A 66 12.198 6.854 0.947 1.00 0.00 C ATOM 787 O SER A 66 11.500 5.884 0.644 1.00 0.00 O ATOM 788 CB SER A 66 13.748 6.291 2.842 1.00 0.00 C ATOM 789 OG SER A 66 14.859 6.471 1.974 1.00 0.00 O ATOM 0 H SER A 66 11.306 5.873 3.524 1.00 0.00 H new ATOM 0 HA SER A 66 12.799 8.195 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.034 6.558 3.859 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.465 5.239 2.857 1.00 0.00 H new ATOM 0 HG SER A 66 15.652 6.047 2.365 1.00 0.00 H new ATOM 795 N PRO A 67 12.670 7.709 0.025 1.00 0.00 N ATOM 796 CA PRO A 67 12.493 7.504 -1.412 1.00 0.00 C ATOM 797 C PRO A 67 13.520 6.536 -1.996 1.00 0.00 C ATOM 798 O PRO A 67 13.586 6.337 -3.210 1.00 0.00 O ATOM 799 CB PRO A 67 12.690 8.906 -1.980 1.00 0.00 C ATOM 800 CG PRO A 67 13.648 9.562 -1.043 1.00 0.00 C ATOM 801 CD PRO A 67 13.395 8.963 0.315 1.00 0.00 C ATOM 0 HA PRO A 67 11.527 7.059 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.089 8.870 -2.994 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.747 9.450 -2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.677 9.390 -1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.496 10.641 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.327 8.771 0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.803 9.630 0.941 1.00 0.00 H new ATOM 809 N VAL A 68 14.331 5.953 -1.122 1.00 0.00 N ATOM 810 CA VAL A 68 15.330 4.979 -1.538 1.00 0.00 C ATOM 811 C VAL A 68 15.141 3.670 -0.783 1.00 0.00 C ATOM 812 O VAL A 68 14.850 2.633 -1.378 1.00 0.00 O ATOM 813 CB VAL A 68 16.770 5.480 -1.306 1.00 0.00 C ATOM 814 CG1 VAL A 68 17.753 4.560 -2.010 1.00 0.00 C ATOM 815 CG2 VAL A 68 16.936 6.918 -1.784 1.00 0.00 C ATOM 0 H VAL A 68 14.316 6.139 -0.119 1.00 0.00 H new ATOM 0 HA VAL A 68 15.188 4.825 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 68 16.975 5.465 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.769 4.918 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.654 3.550 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.542 4.552 -3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.961 7.244 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.715 6.975 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.250 7.565 -1.237 1.00 0.00 H new ATOM 825 N HIS A 69 15.288 3.730 0.534 1.00 0.00 N ATOM 826 CA HIS A 69 15.214 2.533 1.365 1.00 0.00 C ATOM 827 C HIS A 69 13.813 2.374 1.911 1.00 0.00 C ATOM 828 O HIS A 69 13.093 3.352 2.050 1.00 0.00 O ATOM 829 CB HIS A 69 16.174 2.614 2.550 1.00 0.00 C ATOM 830 CG HIS A 69 17.581 2.969 2.193 1.00 0.00 C ATOM 831 ND1 HIS A 69 18.580 2.035 2.085 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.158 4.164 1.943 1.00 0.00 C ATOM 833 CE1 HIS A 69 19.713 2.638 1.783 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.487 3.934 1.690 1.00 0.00 N ATOM 0 H HIS A 69 15.459 4.593 1.050 1.00 0.00 H new ATOM 0 HA HIS A 69 15.487 1.684 0.738 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.796 3.353 3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.176 1.653 3.064 1.00 0.00 H new ATOM 0 HD2 HIS A 69 17.664 5.124 1.942 1.00 0.00 H new ATOM 0 HE1 HIS A 69 20.666 2.152 1.636 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.183 4.646 1.467 1.00 0.00 H new ATOM 843 N CYS A 70 13.449 1.154 2.257 1.00 0.00 N ATOM 844 CA CYS A 70 12.133 0.880 2.813 1.00 0.00 C ATOM 845 C CYS A 70 12.226 0.784 4.331 1.00 0.00 C ATOM 846 O CYS A 70 12.976 -0.037 4.862 1.00 0.00 O ATOM 847 CB CYS A 70 11.558 -0.415 2.231 1.00 0.00 C ATOM 848 SG CYS A 70 9.817 -0.704 2.629 1.00 0.00 S ATOM 0 H CYS A 70 14.047 0.333 2.163 1.00 0.00 H new ATOM 0 HA CYS A 70 11.463 1.698 2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.672 -0.394 1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 70 12.146 -1.256 2.597 1.00 0.00 H new ATOM 0 HG CYS A 70 9.275 0.405 3.035 1.00 0.00 H new ATOM 854 N ASN A 71 11.475 1.631 5.020 1.00 0.00 N ATOM 855 CA ASN A 71 11.506 1.671 6.478 1.00 0.00 C ATOM 856 C ASN A 71 10.125 1.348 7.027 1.00 0.00 C ATOM 857 O ASN A 71 9.856 0.226 7.450 1.00 0.00 O ATOM 858 CB ASN A 71 11.952 3.052 6.991 1.00 0.00 C ATOM 859 CG ASN A 71 13.293 3.509 6.438 1.00 0.00 C ATOM 860 OD1 ASN A 71 14.154 2.702 6.091 1.00 0.00 O ATOM 861 ND2 ASN A 71 13.485 4.819 6.372 1.00 0.00 N ATOM 0 H ASN A 71 10.835 2.301 4.594 1.00 0.00 H new ATOM 0 HA ASN A 71 12.227 0.930 6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.192 3.789 6.730 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.009 3.024 8.079 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.370 5.188 6.024 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.748 5.458 6.669 1.00 0.00 H new ATOM 868 N TYR A 72 9.248 2.342 6.990 1.00 0.00 N ATOM 869 CA TYR A 72 7.869 2.179 7.421 1.00 0.00 C ATOM 870 C TYR A 72 6.953 2.843 6.404 1.00 0.00 C ATOM 871 O TYR A 72 7.424 3.548 5.505 1.00 0.00 O ATOM 872 CB TYR A 72 7.636 2.814 8.797 1.00 0.00 C ATOM 873 CG TYR A 72 8.580 2.340 9.881 1.00 0.00 C ATOM 874 CD1 TYR A 72 8.413 1.101 10.488 1.00 0.00 C ATOM 875 CD2 TYR A 72 9.637 3.136 10.298 1.00 0.00 C ATOM 876 CE1 TYR A 72 9.273 0.670 11.480 1.00 0.00 C ATOM 877 CE2 TYR A 72 10.500 2.714 11.289 1.00 0.00 C ATOM 878 CZ TYR A 72 10.315 1.483 11.879 1.00 0.00 C ATOM 879 OH TYR A 72 11.178 1.064 12.870 1.00 0.00 O ATOM 0 H TYR A 72 9.473 3.281 6.661 1.00 0.00 H new ATOM 0 HA TYR A 72 7.654 1.113 7.496 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.727 3.896 8.703 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.613 2.606 9.109 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.597 0.464 10.179 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.787 4.102 9.839 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.131 -0.297 11.940 1.00 0.00 H new ATOM 0 HE2 TYR A 72 11.318 3.347 11.601 1.00 0.00 H new ATOM 0 HH TYR A 72 11.854 1.755 13.028 1.00 0.00 H new ATOM 889 N LEU A 73 5.653 2.655 6.564 1.00 0.00 N ATOM 890 CA LEU A 73 4.690 3.230 5.639 1.00 0.00 C ATOM 891 C LEU A 73 4.032 4.451 6.248 1.00 0.00 C ATOM 892 O LEU A 73 3.407 4.371 7.306 1.00 0.00 O ATOM 893 CB LEU A 73 3.612 2.216 5.243 1.00 0.00 C ATOM 894 CG LEU A 73 4.066 1.094 4.311 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.855 0.445 3.652 1.00 0.00 C ATOM 896 CD2 LEU A 73 5.039 1.620 3.266 1.00 0.00 C ATOM 0 H LEU A 73 5.242 2.111 7.322 1.00 0.00 H new ATOM 0 HA LEU A 73 5.237 3.519 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.210 1.768 6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.794 2.753 4.763 1.00 0.00 H new ATOM 0 HG LEU A 73 4.588 0.339 4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.186 -0.354 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.201 0.032 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.310 1.193 3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.349 0.804 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.552 2.394 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.914 2.040 3.762 1.00 0.00 H new ATOM 908 N LYS A 74 4.187 5.582 5.582 1.00 0.00 N ATOM 909 CA LYS A 74 3.550 6.811 6.012 1.00 0.00 C ATOM 910 C LYS A 74 2.318 7.038 5.153 1.00 0.00 C ATOM 911 O LYS A 74 2.426 7.426 3.987 1.00 0.00 O ATOM 912 CB LYS A 74 4.520 7.996 5.875 1.00 0.00 C ATOM 913 CG LYS A 74 5.884 7.792 6.531 1.00 0.00 C ATOM 914 CD LYS A 74 5.830 7.805 8.059 1.00 0.00 C ATOM 915 CE LYS A 74 5.314 6.494 8.632 1.00 0.00 C ATOM 916 NZ LYS A 74 5.438 6.437 10.111 1.00 0.00 N ATOM 0 H LYS A 74 4.752 5.673 4.737 1.00 0.00 H new ATOM 0 HA LYS A 74 3.264 6.731 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.670 8.203 4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.053 8.880 6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.301 6.842 6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.563 8.575 6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.827 8.004 8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.188 8.621 8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.269 6.364 8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.867 5.665 8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.074 5.526 10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.438 6.534 10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.889 7.212 10.536 1.00 0.00 H new ATOM 930 N CYS A 75 1.155 6.768 5.718 1.00 0.00 N ATOM 931 CA CYS A 75 -0.092 6.870 4.979 1.00 0.00 C ATOM 932 C CYS A 75 -0.875 8.097 5.415 1.00 0.00 C ATOM 933 O CYS A 75 -0.704 8.585 6.534 1.00 0.00 O ATOM 934 CB CYS A 75 -0.945 5.629 5.218 1.00 0.00 C ATOM 935 SG CYS A 75 -0.040 4.044 5.145 1.00 0.00 S ATOM 0 H CYS A 75 1.047 6.475 6.689 1.00 0.00 H new ATOM 0 HA CYS A 75 0.149 6.955 3.919 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.419 5.715 6.196 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.745 5.608 4.477 1.00 0.00 H new ATOM 940 N THR A 76 -1.732 8.595 4.541 1.00 0.00 N ATOM 941 CA THR A 76 -2.612 9.688 4.895 1.00 0.00 C ATOM 942 C THR A 76 -3.980 9.497 4.241 1.00 0.00 C ATOM 943 O THR A 76 -4.132 8.665 3.338 1.00 0.00 O ATOM 944 CB THR A 76 -2.012 11.056 4.498 1.00 0.00 C ATOM 945 OG1 THR A 76 -2.773 12.118 5.087 1.00 0.00 O ATOM 946 CG2 THR A 76 -1.982 11.226 2.984 1.00 0.00 C ATOM 0 H THR A 76 -1.835 8.259 3.584 1.00 0.00 H new ATOM 0 HA THR A 76 -2.730 9.682 5.979 1.00 0.00 H new ATOM 0 HB THR A 76 -0.988 11.093 4.869 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.384 12.980 4.831 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.555 12.198 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.373 10.438 2.541 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.997 11.164 2.591 1.00 0.00 H new ATOM 954 N ASN A 77 -4.961 10.265 4.713 1.00 0.00 N ATOM 955 CA ASN A 77 -6.341 10.182 4.232 1.00 0.00 C ATOM 956 C ASN A 77 -6.888 8.764 4.347 1.00 0.00 C ATOM 957 O ASN A 77 -7.499 8.247 3.415 1.00 0.00 O ATOM 958 CB ASN A 77 -6.453 10.685 2.786 1.00 0.00 C ATOM 959 CG ASN A 77 -6.251 12.185 2.674 1.00 0.00 C ATOM 960 OD1 ASN A 77 -6.532 12.932 3.609 1.00 0.00 O ATOM 961 ND2 ASN A 77 -5.785 12.641 1.523 1.00 0.00 N ATOM 0 H ASN A 77 -4.822 10.965 5.442 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.946 10.828 4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.713 10.175 2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.434 10.423 2.389 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.648 13.643 1.389 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.563 11.991 0.769 1.00 0.00 H new ATOM 968 N LEU A 78 -6.654 8.140 5.500 1.00 0.00 N ATOM 969 CA LEU A 78 -7.173 6.804 5.767 1.00 0.00 C ATOM 970 C LEU A 78 -8.694 6.837 5.896 1.00 0.00 C ATOM 971 O LEU A 78 -9.264 7.801 6.416 1.00 0.00 O ATOM 972 CB LEU A 78 -6.561 6.227 7.048 1.00 0.00 C ATOM 973 CG LEU A 78 -5.041 6.049 7.036 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.574 5.445 8.350 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.616 5.175 5.870 1.00 0.00 C ATOM 0 H LEU A 78 -6.108 8.540 6.263 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.899 6.165 4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.825 6.879 7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.020 5.258 7.244 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.577 7.028 6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.491 5.323 8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.850 6.105 9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.046 4.473 8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.532 5.060 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.086 4.195 5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.924 5.641 4.934 1.00 0.00 H new ATOM 987 N ALA A 79 -9.346 5.779 5.435 1.00 0.00 N ATOM 988 CA ALA A 79 -10.799 5.709 5.467 1.00 0.00 C ATOM 989 C ALA A 79 -11.279 4.886 6.659 1.00 0.00 C ATOM 990 O ALA A 79 -11.959 3.870 6.495 1.00 0.00 O ATOM 991 CB ALA A 79 -11.337 5.144 4.158 1.00 0.00 C ATOM 0 H ALA A 79 -8.892 4.958 5.035 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.187 6.721 5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.425 5.099 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.033 5.787 3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.939 4.141 4.003 1.00 0.00 H new ATOM 997 N ALA A 80 -10.891 5.330 7.855 1.00 0.00 N ATOM 998 CA ALA A 80 -11.325 4.729 9.119 1.00 0.00 C ATOM 999 C ALA A 80 -10.849 3.285 9.262 1.00 0.00 C ATOM 1000 O ALA A 80 -9.785 3.028 9.827 1.00 0.00 O ATOM 1001 CB ALA A 80 -12.839 4.817 9.272 1.00 0.00 C ATOM 0 H ALA A 80 -10.261 6.123 7.976 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.862 5.303 9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.136 4.364 10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.146 5.863 9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.319 4.287 8.449 1.00 0.00 H new ATOM 1007 N GLY A 81 -11.632 2.350 8.737 1.00 0.00 N ATOM 1008 CA GLY A 81 -11.280 0.951 8.830 1.00 0.00 C ATOM 1009 C GLY A 81 -10.207 0.578 7.830 1.00 0.00 C ATOM 1010 O GLY A 81 -9.485 -0.402 8.015 1.00 0.00 O ATOM 0 H GLY A 81 -12.507 2.540 8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.931 0.730 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.166 0.340 8.658 1.00 0.00 H new ATOM 1014 N PHE A 82 -10.102 1.369 6.770 1.00 0.00 N ATOM 1015 CA PHE A 82 -9.106 1.131 5.740 1.00 0.00 C ATOM 1016 C PHE A 82 -7.783 1.792 6.113 1.00 0.00 C ATOM 1017 O PHE A 82 -7.679 3.020 6.167 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.591 1.656 4.389 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.813 0.955 3.867 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -10.694 -0.182 3.084 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -12.079 1.440 4.149 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -11.816 -0.825 2.595 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -13.205 0.805 3.663 1.00 0.00 C ATOM 1024 CZ PHE A 82 -13.074 -0.330 2.885 1.00 0.00 C ATOM 0 H PHE A 82 -10.696 2.181 6.603 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.951 0.055 5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.806 2.721 4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.787 1.554 3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.713 -0.571 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.187 2.326 4.757 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.710 -1.712 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.186 1.195 3.890 1.00 0.00 H new ATOM 0 HZ PHE A 82 -13.953 -0.829 2.504 1.00 0.00 H new ATOM 1034 N SER A 83 -6.789 0.966 6.392 1.00 0.00 N ATOM 1035 CA SER A 83 -5.453 1.438 6.720 1.00 0.00 C ATOM 1036 C SER A 83 -4.437 0.573 5.991 1.00 0.00 C ATOM 1037 O SER A 83 -4.796 -0.453 5.435 1.00 0.00 O ATOM 1038 CB SER A 83 -5.227 1.355 8.229 1.00 0.00 C ATOM 1039 OG SER A 83 -6.281 1.986 8.940 1.00 0.00 O ATOM 0 H SER A 83 -6.884 -0.050 6.398 1.00 0.00 H new ATOM 0 HA SER A 83 -5.341 2.477 6.410 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.154 0.310 8.532 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.278 1.827 8.484 1.00 0.00 H new ATOM 0 HG SER A 83 -6.113 1.917 9.903 1.00 0.00 H new ATOM 1045 N ALA A 84 -3.181 0.972 5.984 1.00 0.00 N ATOM 1046 CA ALA A 84 -2.159 0.197 5.296 1.00 0.00 C ATOM 1047 C ALA A 84 -1.331 -0.586 6.306 1.00 0.00 C ATOM 1048 O ALA A 84 -1.416 -0.341 7.512 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.274 1.106 4.457 1.00 0.00 C ATOM 0 H ALA A 84 -2.842 1.819 6.441 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.645 -0.511 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.516 0.509 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.883 1.624 3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.788 1.837 5.103 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.536 -1.525 5.815 1.00 0.00 N ATOM 1056 CA GLY A 85 0.208 -2.393 6.701 1.00 0.00 C ATOM 1057 C GLY A 85 1.664 -2.540 6.308 1.00 0.00 C ATOM 1058 O GLY A 85 2.452 -1.612 6.454 1.00 0.00 O ATOM 0 H GLY A 85 -0.394 -1.701 4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.150 -2.001 7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.260 -3.377 6.712 1.00 0.00 H new ATOM 1062 N THR A 86 2.014 -3.713 5.801 1.00 0.00 N ATOM 1063 CA THR A 86 3.399 -4.036 5.485 1.00 0.00 C ATOM 1064 C THR A 86 3.572 -4.242 3.977 1.00 0.00 C ATOM 1065 O THR A 86 2.682 -3.911 3.192 1.00 0.00 O ATOM 1066 CB THR A 86 3.839 -5.309 6.258 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.241 -5.558 6.083 1.00 0.00 O ATOM 1068 CG2 THR A 86 3.047 -6.526 5.802 1.00 0.00 C ATOM 0 H THR A 86 1.353 -4.463 5.598 1.00 0.00 H new ATOM 0 HA THR A 86 4.030 -3.202 5.792 1.00 0.00 H new ATOM 0 HB THR A 86 3.640 -5.133 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.495 -6.363 6.580 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.375 -7.403 6.359 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.985 -6.358 5.982 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.213 -6.690 4.737 1.00 0.00 H new ATOM 1076 N SER A 87 4.726 -4.758 3.580 1.00 0.00 N ATOM 1077 CA SER A 87 4.996 -5.072 2.188 1.00 0.00 C ATOM 1078 C SER A 87 5.663 -6.440 2.095 1.00 0.00 C ATOM 1079 O SER A 87 6.465 -6.805 2.958 1.00 0.00 O ATOM 1080 CB SER A 87 5.888 -3.995 1.571 1.00 0.00 C ATOM 1081 OG SER A 87 5.308 -2.711 1.728 1.00 0.00 O ATOM 0 H SER A 87 5.498 -4.970 4.212 1.00 0.00 H new ATOM 0 HA SER A 87 4.058 -5.099 1.633 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.870 -4.016 2.043 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.039 -4.204 0.512 1.00 0.00 H new ATOM 0 HG SER A 87 5.895 -2.036 1.328 1.00 0.00 H new ATOM 1087 N THR A 88 5.331 -7.193 1.058 1.00 0.00 N ATOM 1088 CA THR A 88 5.770 -8.576 0.938 1.00 0.00 C ATOM 1089 C THR A 88 6.168 -8.922 -0.493 1.00 0.00 C ATOM 1090 O THR A 88 6.774 -8.105 -1.180 1.00 0.00 O ATOM 1091 CB THR A 88 4.651 -9.509 1.402 1.00 0.00 C ATOM 1092 OG1 THR A 88 3.413 -9.077 0.842 1.00 0.00 O ATOM 1093 CG2 THR A 88 4.544 -9.509 2.915 1.00 0.00 C ATOM 0 H THR A 88 4.755 -6.867 0.282 1.00 0.00 H new ATOM 0 HA THR A 88 6.650 -8.705 1.568 1.00 0.00 H new ATOM 0 HB THR A 88 4.880 -10.521 1.068 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.825 -9.850 0.712 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.742 -10.179 3.223 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.486 -9.848 3.346 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.327 -8.499 3.264 1.00 0.00 H new ATOM 1101 N ASP A 89 5.870 -10.162 -0.895 1.00 0.00 N ATOM 1102 CA ASP A 89 6.055 -10.653 -2.271 1.00 0.00 C ATOM 1103 C ASP A 89 7.471 -10.445 -2.807 1.00 0.00 C ATOM 1104 O ASP A 89 8.281 -11.367 -2.795 1.00 0.00 O ATOM 1105 CB ASP A 89 5.033 -10.017 -3.217 1.00 0.00 C ATOM 1106 CG ASP A 89 5.204 -10.481 -4.652 1.00 0.00 C ATOM 1107 OD1 ASP A 89 4.883 -11.652 -4.946 1.00 0.00 O ATOM 1108 OD2 ASP A 89 5.663 -9.674 -5.490 1.00 0.00 O ATOM 0 H ASP A 89 5.487 -10.867 -0.265 1.00 0.00 H new ATOM 0 HA ASP A 89 5.893 -11.730 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.027 -10.261 -2.877 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.129 -8.932 -3.175 1.00 0.00 H new ATOM 1113 N VAL A 90 7.772 -9.237 -3.258 1.00 0.00 N ATOM 1114 CA VAL A 90 9.058 -8.954 -3.868 1.00 0.00 C ATOM 1115 C VAL A 90 10.186 -8.973 -2.837 1.00 0.00 C ATOM 1116 O VAL A 90 11.245 -9.556 -3.072 1.00 0.00 O ATOM 1117 CB VAL A 90 9.053 -7.611 -4.629 1.00 0.00 C ATOM 1118 CG1 VAL A 90 8.361 -7.771 -5.966 1.00 0.00 C ATOM 1119 CG2 VAL A 90 8.367 -6.523 -3.821 1.00 0.00 C ATOM 0 H VAL A 90 7.141 -8.437 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 90 9.240 -9.749 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 90 10.089 -7.314 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.364 -6.817 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.888 -8.517 -6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.332 -8.095 -5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.380 -5.589 -4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.335 -6.813 -3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.893 -6.385 -2.877 1.00 0.00 H new ATOM 1129 N LEU A 91 9.958 -8.340 -1.693 1.00 0.00 N ATOM 1130 CA LEU A 91 10.969 -8.294 -0.643 1.00 0.00 C ATOM 1131 C LEU A 91 10.831 -9.478 0.314 1.00 0.00 C ATOM 1132 O LEU A 91 11.827 -10.034 0.771 1.00 0.00 O ATOM 1133 CB LEU A 91 10.901 -6.972 0.136 1.00 0.00 C ATOM 1134 CG LEU A 91 9.535 -6.623 0.729 1.00 0.00 C ATOM 1135 CD1 LEU A 91 9.705 -5.823 2.009 1.00 0.00 C ATOM 1136 CD2 LEU A 91 8.705 -5.831 -0.266 1.00 0.00 C ATOM 0 H LEU A 91 9.089 -7.855 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 91 11.943 -8.358 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 91 11.629 -7.011 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.206 -6.164 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 91 9.015 -7.554 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.725 -5.582 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.268 -6.411 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.245 -4.901 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.737 -5.593 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 91 9.225 -4.907 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.556 -6.423 -1.169 1.00 0.00 H new ATOM 1148 N SER A 92 9.599 -9.865 0.607 1.00 0.00 N ATOM 1149 CA SER A 92 9.352 -10.913 1.588 1.00 0.00 C ATOM 1150 C SER A 92 9.322 -12.284 0.923 1.00 0.00 C ATOM 1151 O SER A 92 10.080 -13.175 1.306 1.00 0.00 O ATOM 1152 CB SER A 92 8.032 -10.638 2.310 1.00 0.00 C ATOM 1153 OG SER A 92 7.829 -11.529 3.390 1.00 0.00 O ATOM 0 H SER A 92 8.758 -9.472 0.183 1.00 0.00 H new ATOM 0 HA SER A 92 10.164 -10.913 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.026 -9.612 2.679 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.206 -10.728 1.604 1.00 0.00 H new ATOM 0 HG SER A 92 6.914 -11.431 3.728 1.00 0.00 H new