USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 972 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 59 THR OG1 : rot 180:sc= 0.124 USER MOD Set 1.2: A 93 LYS NZ :NH3+ 165:sc= 1.97 (180deg=1.07) USER MOD Set 2.1: A 58 ASN : amide:sc= -2.52! C(o=-0.74!,f=-6.4!) USER MOD Set 2.2: A 63 LYS NZ :NH3+ -150:sc= 1.78 (180deg=0.986) USER MOD Set 3.1: A 54 ASN : amide:sc= 0.418 K(o=0.24,f=-0.51) USER MOD Set 3.2: A 64 TYR OH : rot 48:sc= -0.178 USER MOD Single : A 1 MET CE :methyl -128:sc= -0.0043 (180deg=-0.553) USER MOD Single : A 1 MET N :NH3+ -107:sc= 1.24 (180deg=-0.591!) USER MOD Single : A 3 LYS NZ :NH3+ -172:sc= 0.604 (180deg=0.405) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.133 F(o=-0.95,f=-0.13) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.413 F(o=-3.1!,f=-0.41) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.819 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= 0.144 (180deg=-0.432) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.334 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 35 HIS : no HD1:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 36 THR OG1 : rot -44:sc= 0.504 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= 0.924 (180deg=0.611) USER MOD Single : A 44 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 49 THR OG1 : rot -70:sc= 1.22 USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= -0.454 (180deg=-0.978) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 168:sc= 0.341 (180deg=0.277) USER MOD Single : A 86 SER OG : rot 73:sc= 1.13 USER MOD Single : A 87 SER OG : rot 67:sc= 1.25 USER MOD Single : A 90 MET CE :methyl -137:sc= -2.46 (180deg=-3.51!) USER MOD Single : A 99 MET CE :methyl -146:sc= -0.144 (180deg=-0.777) USER MOD Single : A 102 LYS NZ :NH3+ -162:sc= 0.863 (180deg=0.626) USER MOD Single : A 104 THR OG1 : rot 66:sc= -0.09 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0172 X(o=-0.017,f=-0.036) USER MOD Single : A 112 TYR OH : rot 57:sc= 0.634 USER MOD Single : A 113 LYS NZ :NH3+ -141:sc= 2.13 (180deg=0.551) USER MOD Single : A 115 THR OG1 : rot 86:sc= 0.314 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.342 -0.138 1.089 1.00 0.00 N ATOM 2 CA MET A 1 2.651 -0.186 -0.363 1.00 0.00 C ATOM 3 C MET A 1 3.816 -1.168 -0.630 1.00 0.00 C ATOM 4 O MET A 1 4.151 -1.961 0.264 1.00 0.00 O ATOM 5 CB MET A 1 2.918 1.253 -0.910 1.00 0.00 C ATOM 6 CG MET A 1 3.947 2.088 -0.131 1.00 0.00 C ATOM 7 SD MET A 1 3.408 2.504 1.546 1.00 0.00 S ATOM 8 CE MET A 1 4.711 3.606 2.108 1.00 0.00 C ATOM 0 H1 MET A 1 1.447 -0.636 1.270 1.00 0.00 H new ATOM 0 H2 MET A 1 3.108 -0.597 1.622 1.00 0.00 H new ATOM 0 H3 MET A 1 2.254 0.853 1.393 1.00 0.00 H new ATOM 0 HA MET A 1 1.790 -0.569 -0.910 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.253 1.171 -1.944 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.973 1.797 -0.923 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.886 1.537 -0.077 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.148 3.008 -0.679 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.093 3.258 3.068 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.520 3.615 1.378 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.312 4.614 2.220 1.00 0.00 H new ATOM 18 N ILE A 2 4.385 -1.151 -1.873 1.00 0.00 N ATOM 19 CA ILE A 2 5.481 -2.067 -2.296 1.00 0.00 C ATOM 20 C ILE A 2 6.655 -2.008 -1.311 1.00 0.00 C ATOM 21 O ILE A 2 7.394 -1.030 -1.291 1.00 0.00 O ATOM 22 CB ILE A 2 6.037 -1.733 -3.733 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.902 -1.782 -4.802 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.211 -2.687 -4.107 1.00 0.00 C ATOM 25 CD1 ILE A 2 5.332 -1.399 -6.210 1.00 0.00 C ATOM 0 H ILE A 2 4.095 -0.502 -2.605 1.00 0.00 H new ATOM 0 HA ILE A 2 5.040 -3.064 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 2 6.426 -0.715 -3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.488 -2.790 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.099 -1.115 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.579 -2.438 -5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.018 -2.573 -3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.859 -3.718 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.476 -1.463 -6.882 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.717 -0.379 -6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.112 -2.080 -6.550 1.00 0.00 H new ATOM 37 N LYS A 3 6.818 -3.068 -0.523 1.00 0.00 N ATOM 38 CA LYS A 3 7.778 -3.105 0.583 1.00 0.00 C ATOM 39 C LYS A 3 9.217 -3.206 0.069 1.00 0.00 C ATOM 40 O LYS A 3 9.750 -4.305 -0.113 1.00 0.00 O ATOM 41 CB LYS A 3 7.424 -4.253 1.556 1.00 0.00 C ATOM 42 CG LYS A 3 5.935 -4.255 2.003 1.00 0.00 C ATOM 43 CD LYS A 3 5.750 -4.675 3.476 1.00 0.00 C ATOM 44 CE LYS A 3 4.288 -4.601 3.943 1.00 0.00 C ATOM 45 NZ LYS A 3 3.762 -3.209 3.905 1.00 0.00 N ATOM 0 H LYS A 3 6.286 -3.931 -0.632 1.00 0.00 H new ATOM 0 HA LYS A 3 7.712 -2.167 1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.652 -5.206 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.059 -4.179 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.517 -3.259 1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.370 -4.933 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.116 -5.693 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.361 -4.033 4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.672 -5.239 3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.211 -4.990 4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.824 -3.180 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.410 -2.579 4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.684 -2.894 2.917 1.00 0.00 H new ATOM 59 N PHE A 4 9.821 -2.032 -0.197 1.00 0.00 N ATOM 60 CA PHE A 4 11.212 -1.933 -0.626 1.00 0.00 C ATOM 61 C PHE A 4 12.110 -1.977 0.616 1.00 0.00 C ATOM 62 O PHE A 4 12.317 -0.956 1.291 1.00 0.00 O ATOM 63 CB PHE A 4 11.480 -0.643 -1.458 1.00 0.00 C ATOM 64 CG PHE A 4 12.945 -0.514 -1.913 1.00 0.00 C ATOM 65 CD1 PHE A 4 13.538 -1.519 -2.685 1.00 0.00 C ATOM 66 CD2 PHE A 4 13.734 0.574 -1.532 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.864 -1.437 -3.065 1.00 0.00 C ATOM 68 CE2 PHE A 4 15.063 0.650 -1.912 1.00 0.00 C ATOM 69 CZ PHE A 4 15.627 -0.354 -2.677 1.00 0.00 C ATOM 0 H PHE A 4 9.350 -1.131 -0.118 1.00 0.00 H new ATOM 0 HA PHE A 4 11.437 -2.774 -1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.832 -0.641 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 4 11.212 0.229 -0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.950 -2.372 -2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 4 13.303 1.364 -0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 4 15.303 -2.220 -3.665 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.661 1.497 -1.610 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.664 -0.291 -2.971 1.00 0.00 H new ATOM 79 N TYR A 5 12.587 -3.177 0.946 1.00 0.00 N ATOM 80 CA TYR A 5 13.544 -3.364 2.026 1.00 0.00 C ATOM 81 C TYR A 5 14.936 -2.914 1.562 1.00 0.00 C ATOM 82 O TYR A 5 15.325 -3.127 0.402 1.00 0.00 O ATOM 83 CB TYR A 5 13.577 -4.831 2.486 1.00 0.00 C ATOM 84 CG TYR A 5 12.282 -5.314 3.164 1.00 0.00 C ATOM 85 CD1 TYR A 5 11.203 -5.762 2.409 1.00 0.00 C ATOM 86 CD2 TYR A 5 12.157 -5.356 4.555 1.00 0.00 C ATOM 87 CE1 TYR A 5 10.059 -6.234 3.004 1.00 0.00 C ATOM 88 CE2 TYR A 5 11.008 -5.820 5.156 1.00 0.00 C ATOM 89 CZ TYR A 5 9.964 -6.266 4.376 1.00 0.00 C ATOM 90 OH TYR A 5 8.819 -6.751 4.963 1.00 0.00 O ATOM 0 H TYR A 5 12.320 -4.040 0.472 1.00 0.00 H new ATOM 0 HA TYR A 5 13.235 -2.757 2.877 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.779 -5.465 1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.407 -4.963 3.180 1.00 0.00 H new ATOM 0 HD1 TYR A 5 11.266 -5.738 1.331 1.00 0.00 H new ATOM 0 HD2 TYR A 5 12.977 -5.018 5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.236 -6.579 2.396 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.926 -5.834 6.233 1.00 0.00 H new ATOM 0 HH TYR A 5 8.908 -6.708 5.938 1.00 0.00 H new ATOM 100 N GLN A 6 15.652 -2.269 2.482 1.00 0.00 N ATOM 101 CA GLN A 6 17.042 -1.833 2.307 1.00 0.00 C ATOM 102 C GLN A 6 17.628 -1.534 3.688 1.00 0.00 C ATOM 103 O GLN A 6 16.874 -1.402 4.660 1.00 0.00 O ATOM 104 CB GLN A 6 17.117 -0.599 1.342 1.00 0.00 C ATOM 105 CG GLN A 6 16.202 0.608 1.705 1.00 0.00 C ATOM 106 CD GLN A 6 16.716 1.518 2.830 1.00 0.00 C ATOM 107 OE1 GLN A 6 18.034 1.704 2.915 1.00 0.00 O flip ATOM 108 NE2 GLN A 6 15.932 2.084 3.594 1.00 0.00 N flip ATOM 0 H GLN A 6 15.272 -2.027 3.397 1.00 0.00 H new ATOM 0 HA GLN A 6 17.635 -2.620 1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.149 -0.250 1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 6 16.862 -0.933 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 6 16.058 1.213 0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 6 15.223 0.225 1.991 1.00 0.00 H new ATOM 0 HE21 GLN A 6 14.929 1.923 3.506 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.287 2.713 4.314 1.00 0.00 H new ATOM 117 N TYR A 7 18.961 -1.432 3.779 1.00 0.00 N ATOM 118 CA TYR A 7 19.641 -1.054 5.030 1.00 0.00 C ATOM 119 C TYR A 7 21.113 -0.773 4.747 1.00 0.00 C ATOM 120 O TYR A 7 21.758 -1.579 4.082 1.00 0.00 O ATOM 121 CB TYR A 7 19.512 -2.175 6.104 1.00 0.00 C ATOM 122 CG TYR A 7 19.965 -1.764 7.513 1.00 0.00 C ATOM 123 CD1 TYR A 7 19.108 -1.058 8.360 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.241 -2.068 7.990 1.00 0.00 C ATOM 125 CE1 TYR A 7 19.502 -0.674 9.623 1.00 0.00 C ATOM 126 CE2 TYR A 7 21.639 -1.685 9.254 1.00 0.00 C ATOM 127 CZ TYR A 7 20.767 -0.987 10.066 1.00 0.00 C ATOM 128 OH TYR A 7 21.160 -0.605 11.326 1.00 0.00 O ATOM 0 H TYR A 7 19.594 -1.606 2.999 1.00 0.00 H new ATOM 0 HA TYR A 7 19.164 -0.156 5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.472 -2.498 6.150 1.00 0.00 H new ATOM 0 HB3 TYR A 7 20.099 -3.036 5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.115 -0.808 8.017 1.00 0.00 H new ATOM 0 HD2 TYR A 7 21.928 -2.612 7.359 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.822 -0.130 10.262 1.00 0.00 H new ATOM 0 HE2 TYR A 7 22.630 -1.930 9.608 1.00 0.00 H new ATOM 0 HH TYR A 7 22.080 -0.903 11.486 1.00 0.00 H new ATOM 138 N LYS A 8 21.611 0.365 5.258 1.00 0.00 N ATOM 139 CA LYS A 8 23.041 0.751 5.232 1.00 0.00 C ATOM 140 C LYS A 8 23.556 0.963 3.785 1.00 0.00 C ATOM 141 O LYS A 8 23.560 0.028 2.975 1.00 0.00 O ATOM 142 CB LYS A 8 23.921 -0.293 5.978 1.00 0.00 C ATOM 143 CG LYS A 8 25.396 0.130 6.176 1.00 0.00 C ATOM 144 CD LYS A 8 26.291 -1.044 6.628 1.00 0.00 C ATOM 145 CE LYS A 8 26.398 -2.136 5.553 1.00 0.00 C ATOM 146 NZ LYS A 8 27.185 -3.303 6.022 1.00 0.00 N ATOM 0 H LYS A 8 21.021 1.062 5.712 1.00 0.00 H new ATOM 0 HA LYS A 8 23.122 1.704 5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.479 -0.489 6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.897 -1.231 5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 8 25.782 0.539 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 8 25.446 0.927 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 8 27.287 -0.670 6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 8 25.887 -1.476 7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 8 25.398 -2.464 5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 8 26.863 -1.720 4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 27.233 -4.016 5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 28.147 -2.996 6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 26.728 -3.716 6.860 1.00 0.00 H new ATOM 160 N ASN A 9 24.025 2.197 3.506 1.00 0.00 N ATOM 161 CA ASN A 9 24.491 2.646 2.179 1.00 0.00 C ATOM 162 C ASN A 9 23.286 2.783 1.233 1.00 0.00 C ATOM 163 O ASN A 9 22.683 1.784 0.803 1.00 0.00 O ATOM 164 CB ASN A 9 25.599 1.727 1.558 1.00 0.00 C ATOM 165 CG ASN A 9 26.936 1.702 2.324 1.00 0.00 C ATOM 166 OD1 ASN A 9 26.912 1.860 3.645 1.00 0.00 O flip ATOM 167 ND2 ASN A 9 27.992 1.513 1.721 1.00 0.00 N flip ATOM 0 H ASN A 9 24.091 2.926 4.216 1.00 0.00 H new ATOM 0 HA ASN A 9 24.967 3.617 2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 9 25.213 0.709 1.499 1.00 0.00 H new ATOM 0 HB3 ASN A 9 25.790 2.055 0.536 1.00 0.00 H new ATOM 0 HD21 ASN A 9 27.987 1.394 0.708 1.00 0.00 H new ATOM 0 HD22 ASN A 9 28.873 1.475 2.234 1.00 0.00 H new ATOM 174 N CYS A 10 22.952 4.034 0.896 1.00 0.00 N ATOM 175 CA CYS A 10 21.812 4.363 0.039 1.00 0.00 C ATOM 176 C CYS A 10 22.161 4.217 -1.462 1.00 0.00 C ATOM 177 O CYS A 10 21.441 4.725 -2.299 1.00 0.00 O ATOM 178 CB CYS A 10 21.338 5.801 0.368 1.00 0.00 C ATOM 179 SG CYS A 10 20.802 6.019 2.081 1.00 0.00 S ATOM 0 H CYS A 10 23.471 4.852 1.214 1.00 0.00 H new ATOM 0 HA CYS A 10 21.004 3.659 0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 10 22.150 6.498 0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.515 6.063 -0.297 1.00 0.00 H new ATOM 0 HG CYS A 10 20.426 7.250 2.265 1.00 0.00 H new ATOM 185 N THR A 11 23.239 3.475 -1.786 1.00 0.00 N ATOM 186 CA THR A 11 23.699 3.266 -3.169 1.00 0.00 C ATOM 187 C THR A 11 22.603 2.594 -4.034 1.00 0.00 C ATOM 188 O THR A 11 22.126 3.185 -5.013 1.00 0.00 O ATOM 189 CB THR A 11 25.013 2.414 -3.184 1.00 0.00 C ATOM 190 OG1 THR A 11 24.813 1.195 -2.446 1.00 0.00 O ATOM 191 CG2 THR A 11 26.206 3.177 -2.582 1.00 0.00 C ATOM 0 H THR A 11 23.816 3.003 -1.090 1.00 0.00 H new ATOM 0 HA THR A 11 23.910 4.243 -3.603 1.00 0.00 H new ATOM 0 HB THR A 11 25.244 2.194 -4.226 1.00 0.00 H new ATOM 0 HG1 THR A 11 25.637 0.665 -2.460 1.00 0.00 H new ATOM 0 HG21 THR A 11 27.095 2.547 -2.614 1.00 0.00 H new ATOM 0 HG22 THR A 11 26.385 4.085 -3.157 1.00 0.00 H new ATOM 0 HG23 THR A 11 25.985 3.440 -1.548 1.00 0.00 H new ATOM 199 N THR A 12 22.186 1.379 -3.632 1.00 0.00 N ATOM 200 CA THR A 12 21.090 0.644 -4.292 1.00 0.00 C ATOM 201 C THR A 12 19.745 1.357 -4.055 1.00 0.00 C ATOM 202 O THR A 12 18.902 1.441 -4.960 1.00 0.00 O ATOM 203 CB THR A 12 20.989 -0.827 -3.758 1.00 0.00 C ATOM 204 OG1 THR A 12 22.262 -1.478 -3.877 1.00 0.00 O ATOM 205 CG2 THR A 12 19.926 -1.643 -4.521 1.00 0.00 C ATOM 0 H THR A 12 22.598 0.880 -2.843 1.00 0.00 H new ATOM 0 HA THR A 12 21.311 0.618 -5.359 1.00 0.00 H new ATOM 0 HB THR A 12 20.690 -0.776 -2.711 1.00 0.00 H new ATOM 0 HG1 THR A 12 22.193 -2.396 -3.540 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.888 -2.656 -4.120 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.951 -1.170 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 12 20.187 -1.681 -5.579 1.00 0.00 H new ATOM 213 N CYS A 13 19.592 1.893 -2.828 1.00 0.00 N ATOM 214 CA CYS A 13 18.337 2.494 -2.354 1.00 0.00 C ATOM 215 C CYS A 13 17.915 3.692 -3.224 1.00 0.00 C ATOM 216 O CYS A 13 16.752 3.793 -3.588 1.00 0.00 O ATOM 217 CB CYS A 13 18.463 2.913 -0.874 1.00 0.00 C ATOM 218 SG CYS A 13 16.939 3.555 -0.157 1.00 0.00 S ATOM 0 H CYS A 13 20.342 1.920 -2.137 1.00 0.00 H new ATOM 0 HA CYS A 13 17.557 1.738 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 13 18.792 2.053 -0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 13 19.240 3.672 -0.788 1.00 0.00 H new ATOM 0 HG CYS A 13 17.146 3.877 1.086 1.00 0.00 H new ATOM 224 N LYS A 14 18.884 4.559 -3.591 1.00 0.00 N ATOM 225 CA LYS A 14 18.624 5.760 -4.423 1.00 0.00 C ATOM 226 C LYS A 14 18.227 5.363 -5.850 1.00 0.00 C ATOM 227 O LYS A 14 17.311 5.939 -6.407 1.00 0.00 O ATOM 228 CB LYS A 14 19.861 6.705 -4.489 1.00 0.00 C ATOM 229 CG LYS A 14 20.239 7.387 -3.155 1.00 0.00 C ATOM 230 CD LYS A 14 19.145 8.334 -2.613 1.00 0.00 C ATOM 231 CE LYS A 14 19.498 8.891 -1.221 1.00 0.00 C ATOM 232 NZ LYS A 14 18.481 9.855 -0.732 1.00 0.00 N ATOM 0 H LYS A 14 19.862 4.450 -3.323 1.00 0.00 H new ATOM 0 HA LYS A 14 17.802 6.294 -3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.718 6.131 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.668 7.479 -5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.445 6.619 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 14 21.161 7.952 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.005 9.161 -3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.197 7.799 -2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 14 19.586 8.067 -0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 14 20.471 9.381 -1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.758 10.205 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.414 10.655 -1.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.557 9.382 -0.667 1.00 0.00 H new ATOM 246 N LYS A 15 18.932 4.365 -6.410 1.00 0.00 N ATOM 247 CA LYS A 15 18.741 3.917 -7.809 1.00 0.00 C ATOM 248 C LYS A 15 17.341 3.310 -8.020 1.00 0.00 C ATOM 249 O LYS A 15 16.617 3.684 -8.955 1.00 0.00 O ATOM 250 CB LYS A 15 19.849 2.890 -8.179 1.00 0.00 C ATOM 251 CG LYS A 15 21.314 3.412 -8.103 1.00 0.00 C ATOM 252 CD LYS A 15 21.791 4.215 -9.349 1.00 0.00 C ATOM 253 CE LYS A 15 21.176 5.618 -9.485 1.00 0.00 C ATOM 254 NZ LYS A 15 21.653 6.316 -10.710 1.00 0.00 N ATOM 0 H LYS A 15 19.651 3.843 -5.909 1.00 0.00 H new ATOM 0 HA LYS A 15 18.819 4.784 -8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.756 2.030 -7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.663 2.534 -9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.413 4.045 -7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.980 2.561 -7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.876 4.311 -9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.555 3.642 -10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.089 5.537 -9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.429 6.212 -8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.216 7.258 -10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.687 6.416 -10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.390 5.762 -11.550 1.00 0.00 H new ATOM 268 N ALA A 16 16.977 2.391 -7.115 1.00 0.00 N ATOM 269 CA ALA A 16 15.663 1.731 -7.117 1.00 0.00 C ATOM 270 C ALA A 16 14.543 2.747 -6.850 1.00 0.00 C ATOM 271 O ALA A 16 13.560 2.798 -7.591 1.00 0.00 O ATOM 272 CB ALA A 16 15.643 0.611 -6.071 1.00 0.00 C ATOM 0 H ALA A 16 17.587 2.083 -6.358 1.00 0.00 H new ATOM 0 HA ALA A 16 15.490 1.295 -8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.667 0.125 -6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.414 -0.122 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 16 15.833 1.032 -5.084 1.00 0.00 H new ATOM 278 N ALA A 17 14.747 3.588 -5.816 1.00 0.00 N ATOM 279 CA ALA A 17 13.783 4.631 -5.413 1.00 0.00 C ATOM 280 C ALA A 17 13.541 5.645 -6.536 1.00 0.00 C ATOM 281 O ALA A 17 12.421 6.095 -6.717 1.00 0.00 O ATOM 282 CB ALA A 17 14.267 5.366 -4.158 1.00 0.00 C ATOM 0 H ALA A 17 15.586 3.563 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 17 12.842 4.126 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.540 6.130 -3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.377 4.655 -3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.229 5.837 -4.360 1.00 0.00 H new ATOM 288 N LYS A 18 14.609 5.969 -7.287 1.00 0.00 N ATOM 289 CA LYS A 18 14.577 6.974 -8.369 1.00 0.00 C ATOM 290 C LYS A 18 13.875 6.421 -9.617 1.00 0.00 C ATOM 291 O LYS A 18 13.207 7.169 -10.323 1.00 0.00 O ATOM 292 CB LYS A 18 16.019 7.436 -8.724 1.00 0.00 C ATOM 293 CG LYS A 18 16.166 8.547 -9.806 1.00 0.00 C ATOM 294 CD LYS A 18 15.711 9.974 -9.350 1.00 0.00 C ATOM 295 CE LYS A 18 14.206 10.256 -9.553 1.00 0.00 C ATOM 296 NZ LYS A 18 13.795 10.113 -10.971 1.00 0.00 N ATOM 0 H LYS A 18 15.525 5.539 -7.161 1.00 0.00 H new ATOM 0 HA LYS A 18 14.009 7.833 -8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.495 7.790 -7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 18 16.580 6.563 -9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 18 17.210 8.596 -10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.586 8.259 -10.683 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.953 10.100 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.286 10.719 -9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.624 9.571 -8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.978 11.265 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.000 10.754 -11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.595 10.352 -11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.500 9.132 -11.150 1.00 0.00 H new ATOM 310 N PHE A 19 14.054 5.115 -9.883 1.00 0.00 N ATOM 311 CA PHE A 19 13.418 4.434 -11.033 1.00 0.00 C ATOM 312 C PHE A 19 11.891 4.317 -10.807 1.00 0.00 C ATOM 313 O PHE A 19 11.072 4.611 -11.702 1.00 0.00 O ATOM 314 CB PHE A 19 14.068 3.039 -11.242 1.00 0.00 C ATOM 315 CG PHE A 19 13.706 2.357 -12.569 1.00 0.00 C ATOM 316 CD1 PHE A 19 13.864 3.034 -13.777 1.00 0.00 C ATOM 317 CD2 PHE A 19 13.230 1.051 -12.608 1.00 0.00 C ATOM 318 CE1 PHE A 19 13.554 2.429 -14.980 1.00 0.00 C ATOM 319 CE2 PHE A 19 12.922 0.445 -13.811 1.00 0.00 C ATOM 320 CZ PHE A 19 13.083 1.134 -14.998 1.00 0.00 C ATOM 0 H PHE A 19 14.638 4.503 -9.314 1.00 0.00 H new ATOM 0 HA PHE A 19 13.576 5.023 -11.937 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.151 3.146 -11.187 1.00 0.00 H new ATOM 0 HB3 PHE A 19 13.770 2.387 -10.421 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.235 4.048 -13.773 1.00 0.00 H new ATOM 0 HD2 PHE A 19 13.099 0.503 -11.686 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.681 2.971 -15.906 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.554 -0.570 -13.824 1.00 0.00 H new ATOM 0 HZ PHE A 19 12.840 0.659 -15.937 1.00 0.00 H new ATOM 330 N LEU A 20 11.533 3.918 -9.578 1.00 0.00 N ATOM 331 CA LEU A 20 10.139 3.855 -9.120 1.00 0.00 C ATOM 332 C LEU A 20 9.515 5.273 -9.117 1.00 0.00 C ATOM 333 O LEU A 20 8.432 5.467 -9.650 1.00 0.00 O ATOM 334 CB LEU A 20 10.077 3.184 -7.719 1.00 0.00 C ATOM 335 CG LEU A 20 10.553 1.685 -7.681 1.00 0.00 C ATOM 336 CD1 LEU A 20 10.767 1.184 -6.234 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.566 0.761 -8.437 1.00 0.00 C ATOM 0 H LEU A 20 12.208 3.628 -8.870 1.00 0.00 H new ATOM 0 HA LEU A 20 9.552 3.244 -9.806 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.690 3.762 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.051 3.234 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 20 11.516 1.646 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.095 0.145 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.526 1.795 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.831 1.258 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.924 -0.268 -8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.581 0.823 -7.973 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.497 1.076 -9.478 1.00 0.00 H new ATOM 349 N ASP A 21 10.270 6.263 -8.589 1.00 0.00 N ATOM 350 CA ASP A 21 9.842 7.690 -8.535 1.00 0.00 C ATOM 351 C ASP A 21 9.679 8.276 -9.953 1.00 0.00 C ATOM 352 O ASP A 21 8.795 9.111 -10.187 1.00 0.00 O ATOM 353 CB ASP A 21 10.867 8.537 -7.729 1.00 0.00 C ATOM 354 CG ASP A 21 10.502 10.034 -7.611 1.00 0.00 C ATOM 355 OD1 ASP A 21 9.693 10.391 -6.725 1.00 0.00 O ATOM 356 OD2 ASP A 21 11.014 10.855 -8.412 1.00 0.00 O ATOM 0 H ASP A 21 11.193 6.101 -8.187 1.00 0.00 H new ATOM 0 HA ASP A 21 8.875 7.728 -8.033 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.959 8.118 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.845 8.450 -8.202 1.00 0.00 H new ATOM 361 N GLU A 22 10.527 7.796 -10.885 1.00 0.00 N ATOM 362 CA GLU A 22 10.503 8.187 -12.307 1.00 0.00 C ATOM 363 C GLU A 22 9.155 7.796 -12.935 1.00 0.00 C ATOM 364 O GLU A 22 8.523 8.596 -13.630 1.00 0.00 O ATOM 365 CB GLU A 22 11.691 7.516 -13.065 1.00 0.00 C ATOM 366 CG GLU A 22 11.751 7.764 -14.590 1.00 0.00 C ATOM 367 CD GLU A 22 11.922 9.246 -14.974 1.00 0.00 C ATOM 368 OE1 GLU A 22 13.074 9.733 -14.988 1.00 0.00 O ATOM 369 OE2 GLU A 22 10.910 9.922 -15.271 1.00 0.00 O ATOM 0 H GLU A 22 11.257 7.117 -10.667 1.00 0.00 H new ATOM 0 HA GLU A 22 10.616 9.268 -12.387 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.623 7.868 -12.623 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.644 6.441 -12.894 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.579 7.192 -15.009 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.837 7.383 -15.047 1.00 0.00 H new ATOM 376 N TYR A 23 8.708 6.563 -12.637 1.00 0.00 N ATOM 377 CA TYR A 23 7.413 6.038 -13.125 1.00 0.00 C ATOM 378 C TYR A 23 6.253 6.279 -12.128 1.00 0.00 C ATOM 379 O TYR A 23 5.160 5.735 -12.317 1.00 0.00 O ATOM 380 CB TYR A 23 7.571 4.541 -13.493 1.00 0.00 C ATOM 381 CG TYR A 23 8.410 4.310 -14.766 1.00 0.00 C ATOM 382 CD1 TYR A 23 9.799 4.481 -14.765 1.00 0.00 C ATOM 383 CD2 TYR A 23 7.807 3.946 -15.972 1.00 0.00 C ATOM 384 CE1 TYR A 23 10.544 4.291 -15.911 1.00 0.00 C ATOM 385 CE2 TYR A 23 8.553 3.753 -17.115 1.00 0.00 C ATOM 386 CZ TYR A 23 9.918 3.927 -17.080 1.00 0.00 C ATOM 387 OH TYR A 23 10.659 3.734 -18.222 1.00 0.00 O ATOM 0 H TYR A 23 9.227 5.904 -12.056 1.00 0.00 H new ATOM 0 HA TYR A 23 7.136 6.593 -14.021 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.037 4.016 -12.659 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.583 4.102 -13.633 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.297 4.767 -13.850 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.736 3.813 -16.010 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.615 4.428 -15.890 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.068 3.466 -18.036 1.00 0.00 H new ATOM 0 HH TYR A 23 10.065 3.479 -18.958 1.00 0.00 H new ATOM 397 N GLY A 24 6.499 7.109 -11.091 1.00 0.00 N ATOM 398 CA GLY A 24 5.455 7.542 -10.141 1.00 0.00 C ATOM 399 C GLY A 24 4.818 6.394 -9.356 1.00 0.00 C ATOM 400 O GLY A 24 3.602 6.354 -9.172 1.00 0.00 O ATOM 0 H GLY A 24 7.422 7.495 -10.891 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.889 8.253 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.675 8.071 -10.689 1.00 0.00 H new ATOM 404 N VAL A 25 5.662 5.458 -8.916 1.00 0.00 N ATOM 405 CA VAL A 25 5.247 4.229 -8.217 1.00 0.00 C ATOM 406 C VAL A 25 5.445 4.381 -6.699 1.00 0.00 C ATOM 407 O VAL A 25 6.499 4.857 -6.250 1.00 0.00 O ATOM 408 CB VAL A 25 6.058 2.997 -8.777 1.00 0.00 C ATOM 409 CG1 VAL A 25 5.773 1.697 -7.996 1.00 0.00 C ATOM 410 CG2 VAL A 25 5.763 2.805 -10.282 1.00 0.00 C ATOM 0 H VAL A 25 6.672 5.530 -9.035 1.00 0.00 H new ATOM 0 HA VAL A 25 4.186 4.055 -8.398 1.00 0.00 H new ATOM 0 HB VAL A 25 7.117 3.218 -8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.356 0.881 -8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.049 1.833 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.712 1.458 -8.063 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.328 1.952 -10.658 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.697 2.625 -10.424 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.055 3.702 -10.827 1.00 0.00 H new ATOM 420 N SER A 26 4.418 3.982 -5.924 1.00 0.00 N ATOM 421 CA SER A 26 4.448 4.046 -4.459 1.00 0.00 C ATOM 422 C SER A 26 5.200 2.830 -3.879 1.00 0.00 C ATOM 423 O SER A 26 4.700 1.697 -3.905 1.00 0.00 O ATOM 424 CB SER A 26 3.011 4.120 -3.896 1.00 0.00 C ATOM 425 OG SER A 26 2.323 5.250 -4.414 1.00 0.00 O ATOM 0 H SER A 26 3.547 3.607 -6.300 1.00 0.00 H new ATOM 0 HA SER A 26 4.981 4.949 -4.161 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.468 3.210 -4.151 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.044 4.176 -2.808 1.00 0.00 H new ATOM 0 HG SER A 26 1.415 5.277 -4.046 1.00 0.00 H new ATOM 431 N TYR A 27 6.418 3.083 -3.395 1.00 0.00 N ATOM 432 CA TYR A 27 7.256 2.085 -2.710 1.00 0.00 C ATOM 433 C TYR A 27 7.326 2.414 -1.202 1.00 0.00 C ATOM 434 O TYR A 27 6.946 3.512 -0.775 1.00 0.00 O ATOM 435 CB TYR A 27 8.672 2.038 -3.341 1.00 0.00 C ATOM 436 CG TYR A 27 9.442 3.374 -3.299 1.00 0.00 C ATOM 437 CD1 TYR A 27 9.200 4.377 -4.249 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.386 3.639 -2.305 1.00 0.00 C ATOM 439 CE1 TYR A 27 9.868 5.583 -4.204 1.00 0.00 C ATOM 440 CE2 TYR A 27 11.054 4.844 -2.261 1.00 0.00 C ATOM 441 CZ TYR A 27 10.791 5.813 -3.210 1.00 0.00 C ATOM 442 OH TYR A 27 11.459 7.018 -3.158 1.00 0.00 O ATOM 0 H TYR A 27 6.860 3.999 -3.467 1.00 0.00 H new ATOM 0 HA TYR A 27 6.810 1.098 -2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.260 1.279 -2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.582 1.719 -4.379 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.476 4.202 -5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.596 2.888 -1.558 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.668 6.343 -4.945 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.782 5.030 -1.485 1.00 0.00 H new ATOM 0 HH TYR A 27 12.074 7.018 -2.395 1.00 0.00 H new ATOM 452 N GLU A 28 7.856 1.467 -0.423 1.00 0.00 N ATOM 453 CA GLU A 28 7.885 1.515 1.045 1.00 0.00 C ATOM 454 C GLU A 28 9.335 1.284 1.504 1.00 0.00 C ATOM 455 O GLU A 28 9.749 0.132 1.646 1.00 0.00 O ATOM 456 CB GLU A 28 6.925 0.427 1.619 1.00 0.00 C ATOM 457 CG GLU A 28 6.747 0.426 3.145 1.00 0.00 C ATOM 458 CD GLU A 28 5.657 -0.557 3.617 1.00 0.00 C ATOM 459 OE1 GLU A 28 4.513 -0.489 3.100 1.00 0.00 O ATOM 460 OE2 GLU A 28 5.927 -1.388 4.509 1.00 0.00 O ATOM 0 H GLU A 28 8.288 0.625 -0.803 1.00 0.00 H new ATOM 0 HA GLU A 28 7.546 2.484 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.945 0.555 1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.294 -0.552 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.694 0.165 3.617 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.492 1.432 3.477 1.00 0.00 H new ATOM 467 N PRO A 29 10.155 2.374 1.668 1.00 0.00 N ATOM 468 CA PRO A 29 11.566 2.251 2.092 1.00 0.00 C ATOM 469 C PRO A 29 11.674 1.912 3.598 1.00 0.00 C ATOM 470 O PRO A 29 11.598 2.794 4.466 1.00 0.00 O ATOM 471 CB PRO A 29 12.160 3.639 1.734 1.00 0.00 C ATOM 472 CG PRO A 29 11.006 4.588 1.838 1.00 0.00 C ATOM 473 CD PRO A 29 9.769 3.800 1.443 1.00 0.00 C ATOM 0 HA PRO A 29 12.104 1.438 1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.962 3.915 2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.584 3.641 0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.912 4.976 2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.147 5.446 1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.908 4.080 2.050 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.498 3.980 0.403 1.00 0.00 H new ATOM 481 N ILE A 30 11.796 0.610 3.891 1.00 0.00 N ATOM 482 CA ILE A 30 11.863 0.078 5.267 1.00 0.00 C ATOM 483 C ILE A 30 13.167 -0.700 5.480 1.00 0.00 C ATOM 484 O ILE A 30 13.726 -1.269 4.541 1.00 0.00 O ATOM 485 CB ILE A 30 10.606 -0.824 5.602 1.00 0.00 C ATOM 486 CG1 ILE A 30 10.301 -1.825 4.432 1.00 0.00 C ATOM 487 CG2 ILE A 30 9.370 0.054 5.926 1.00 0.00 C ATOM 488 CD1 ILE A 30 9.109 -2.737 4.660 1.00 0.00 C ATOM 0 H ILE A 30 11.852 -0.114 3.175 1.00 0.00 H new ATOM 0 HA ILE A 30 11.850 0.925 5.953 1.00 0.00 H new ATOM 0 HB ILE A 30 10.840 -1.414 6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.132 -1.253 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.184 -2.442 4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.518 -0.587 6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.588 0.686 6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.134 0.681 5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.980 -3.390 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.279 -3.342 5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.211 -2.135 4.796 1.00 0.00 H new ATOM 500 N ASP A 31 13.637 -0.702 6.733 1.00 0.00 N ATOM 501 CA ASP A 31 14.906 -1.333 7.126 1.00 0.00 C ATOM 502 C ASP A 31 14.742 -2.857 7.172 1.00 0.00 C ATOM 503 O ASP A 31 13.865 -3.347 7.880 1.00 0.00 O ATOM 504 CB ASP A 31 15.361 -0.812 8.508 1.00 0.00 C ATOM 505 CG ASP A 31 15.489 0.722 8.570 1.00 0.00 C ATOM 506 OD1 ASP A 31 14.440 1.407 8.617 1.00 0.00 O ATOM 507 OD2 ASP A 31 16.622 1.243 8.555 1.00 0.00 O ATOM 0 H ASP A 31 13.144 -0.262 7.510 1.00 0.00 H new ATOM 0 HA ASP A 31 15.665 -1.077 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.649 -1.141 9.265 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.322 -1.260 8.759 1.00 0.00 H new ATOM 512 N ILE A 32 15.594 -3.592 6.428 1.00 0.00 N ATOM 513 CA ILE A 32 15.517 -5.071 6.344 1.00 0.00 C ATOM 514 C ILE A 32 15.728 -5.744 7.721 1.00 0.00 C ATOM 515 O ILE A 32 15.080 -6.738 8.023 1.00 0.00 O ATOM 516 CB ILE A 32 16.555 -5.659 5.307 1.00 0.00 C ATOM 517 CG1 ILE A 32 16.343 -7.198 5.047 1.00 0.00 C ATOM 518 CG2 ILE A 32 18.006 -5.391 5.758 1.00 0.00 C ATOM 519 CD1 ILE A 32 15.095 -7.562 4.269 1.00 0.00 C ATOM 0 H ILE A 32 16.348 -3.186 5.873 1.00 0.00 H new ATOM 0 HA ILE A 32 14.509 -5.298 5.997 1.00 0.00 H new ATOM 0 HB ILE A 32 16.376 -5.140 4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.210 -7.581 4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.313 -7.710 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.697 -5.807 5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 32 18.169 -4.316 5.841 1.00 0.00 H new ATOM 0 HG23 ILE A 32 18.178 -5.860 6.727 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.046 -8.644 4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.215 -7.218 4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.126 -7.086 3.289 1.00 0.00 H new ATOM 531 N VAL A 33 16.638 -5.186 8.548 1.00 0.00 N ATOM 532 CA VAL A 33 17.058 -5.821 9.822 1.00 0.00 C ATOM 533 C VAL A 33 16.318 -5.212 11.024 1.00 0.00 C ATOM 534 O VAL A 33 15.960 -5.931 11.959 1.00 0.00 O ATOM 535 CB VAL A 33 18.620 -5.750 10.025 1.00 0.00 C ATOM 536 CG1 VAL A 33 19.113 -4.317 10.279 1.00 0.00 C ATOM 537 CG2 VAL A 33 19.105 -6.717 11.136 1.00 0.00 C ATOM 0 H VAL A 33 17.098 -4.296 8.358 1.00 0.00 H new ATOM 0 HA VAL A 33 16.784 -6.874 9.759 1.00 0.00 H new ATOM 0 HB VAL A 33 19.065 -6.079 9.086 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.195 -4.323 10.412 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.856 -3.687 9.427 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.639 -3.923 11.178 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.187 -6.636 11.242 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.627 -6.456 12.080 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.843 -7.740 10.868 1.00 0.00 H new ATOM 547 N GLN A 34 16.068 -3.889 10.982 1.00 0.00 N ATOM 548 CA GLN A 34 15.360 -3.184 12.072 1.00 0.00 C ATOM 549 C GLN A 34 13.859 -3.532 12.027 1.00 0.00 C ATOM 550 O GLN A 34 13.176 -3.572 13.052 1.00 0.00 O ATOM 551 CB GLN A 34 15.560 -1.651 11.952 1.00 0.00 C ATOM 552 CG GLN A 34 14.991 -0.835 13.130 1.00 0.00 C ATOM 553 CD GLN A 34 15.001 0.681 12.905 1.00 0.00 C ATOM 554 OE1 GLN A 34 14.859 1.163 11.781 1.00 0.00 O ATOM 555 NE2 GLN A 34 15.176 1.438 13.976 1.00 0.00 N ATOM 0 H GLN A 34 16.345 -3.286 10.207 1.00 0.00 H new ATOM 0 HA GLN A 34 15.774 -3.508 13.027 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.626 -1.443 11.864 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.091 -1.308 11.030 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.967 -1.156 13.319 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.567 -1.062 14.027 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.291 1.006 14.893 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.196 2.454 13.885 1.00 0.00 H new ATOM 564 N HIS A 35 13.362 -3.771 10.803 1.00 0.00 N ATOM 565 CA HIS A 35 11.966 -4.143 10.551 1.00 0.00 C ATOM 566 C HIS A 35 11.948 -5.435 9.713 1.00 0.00 C ATOM 567 O HIS A 35 11.534 -5.441 8.546 1.00 0.00 O ATOM 568 CB HIS A 35 11.219 -2.971 9.840 1.00 0.00 C ATOM 569 CG HIS A 35 11.295 -1.649 10.571 1.00 0.00 C ATOM 570 ND1 HIS A 35 10.500 -1.335 11.656 1.00 0.00 N ATOM 571 CD2 HIS A 35 12.105 -0.577 10.391 1.00 0.00 C ATOM 572 CE1 HIS A 35 10.821 -0.139 12.107 1.00 0.00 C ATOM 573 NE2 HIS A 35 11.791 0.342 11.355 1.00 0.00 N ATOM 0 H HIS A 35 13.925 -3.710 9.955 1.00 0.00 H new ATOM 0 HA HIS A 35 11.443 -4.330 11.489 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.635 -2.844 8.840 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.171 -3.245 9.717 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.860 -0.468 9.627 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.367 0.362 12.949 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.236 1.252 11.473 1.00 0.00 H new ATOM 582 N THR A 36 12.475 -6.522 10.306 1.00 0.00 N ATOM 583 CA THR A 36 12.490 -7.849 9.669 1.00 0.00 C ATOM 584 C THR A 36 11.101 -8.501 9.808 1.00 0.00 C ATOM 585 O THR A 36 10.561 -8.546 10.930 1.00 0.00 O ATOM 586 CB THR A 36 13.573 -8.789 10.312 1.00 0.00 C ATOM 587 OG1 THR A 36 14.789 -8.063 10.481 1.00 0.00 O ATOM 588 CG2 THR A 36 13.863 -10.029 9.439 1.00 0.00 C ATOM 0 H THR A 36 12.899 -6.505 11.233 1.00 0.00 H new ATOM 0 HA THR A 36 12.741 -7.714 8.617 1.00 0.00 H new ATOM 0 HB THR A 36 13.180 -9.129 11.270 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.969 -7.534 9.676 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.617 -10.648 9.925 1.00 0.00 H new ATOM 0 HG22 THR A 36 12.947 -10.606 9.311 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.229 -9.709 8.463 1.00 0.00 H new ATOM 596 N PRO A 37 10.482 -8.985 8.688 1.00 0.00 N ATOM 597 CA PRO A 37 9.230 -9.755 8.764 1.00 0.00 C ATOM 598 C PRO A 37 9.464 -11.131 9.440 1.00 0.00 C ATOM 599 O PRO A 37 10.557 -11.703 9.344 1.00 0.00 O ATOM 600 CB PRO A 37 8.788 -9.880 7.279 1.00 0.00 C ATOM 601 CG PRO A 37 10.047 -9.732 6.482 1.00 0.00 C ATOM 602 CD PRO A 37 10.941 -8.808 7.280 1.00 0.00 C ATOM 0 HA PRO A 37 8.463 -9.279 9.375 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.312 -10.842 7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.063 -9.109 7.017 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.526 -10.699 6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.838 -9.317 5.496 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.992 -9.074 7.167 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.837 -7.773 6.954 1.00 0.00 H new ATOM 610 N THR A 38 8.440 -11.628 10.151 1.00 0.00 N ATOM 611 CA THR A 38 8.511 -12.905 10.890 1.00 0.00 C ATOM 612 C THR A 38 8.382 -14.118 9.942 1.00 0.00 C ATOM 613 O THR A 38 8.251 -13.957 8.722 1.00 0.00 O ATOM 614 CB THR A 38 7.415 -12.954 12.011 1.00 0.00 C ATOM 615 OG1 THR A 38 6.122 -12.692 11.446 1.00 0.00 O ATOM 616 CG2 THR A 38 7.698 -11.941 13.137 1.00 0.00 C ATOM 0 H THR A 38 7.538 -11.158 10.232 1.00 0.00 H new ATOM 0 HA THR A 38 9.492 -12.962 11.362 1.00 0.00 H new ATOM 0 HB THR A 38 7.436 -13.954 12.444 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.443 -12.726 12.152 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.915 -12.008 13.892 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.662 -12.164 13.593 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.717 -10.933 12.723 1.00 0.00 H new ATOM 624 N ILE A 39 8.414 -15.330 10.531 1.00 0.00 N ATOM 625 CA ILE A 39 8.437 -16.610 9.792 1.00 0.00 C ATOM 626 C ILE A 39 7.152 -16.779 8.963 1.00 0.00 C ATOM 627 O ILE A 39 7.191 -17.234 7.813 1.00 0.00 O ATOM 628 CB ILE A 39 8.587 -17.822 10.789 1.00 0.00 C ATOM 629 CG1 ILE A 39 9.738 -17.549 11.822 1.00 0.00 C ATOM 630 CG2 ILE A 39 8.831 -19.145 10.019 1.00 0.00 C ATOM 631 CD1 ILE A 39 9.767 -18.499 13.004 1.00 0.00 C ATOM 0 H ILE A 39 8.425 -15.450 11.544 1.00 0.00 H new ATOM 0 HA ILE A 39 9.294 -16.596 9.119 1.00 0.00 H new ATOM 0 HB ILE A 39 7.654 -17.927 11.342 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.695 -17.607 11.303 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.639 -16.530 12.195 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.931 -19.966 10.729 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.989 -19.340 9.355 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.745 -19.060 9.431 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.594 -18.234 13.663 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.828 -18.426 13.553 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.900 -19.520 12.647 1.00 0.00 H new ATOM 643 N ASN A 40 6.025 -16.375 9.579 1.00 0.00 N ATOM 644 CA ASN A 40 4.692 -16.400 8.949 1.00 0.00 C ATOM 645 C ASN A 40 4.656 -15.468 7.730 1.00 0.00 C ATOM 646 O ASN A 40 4.183 -15.847 6.660 1.00 0.00 O ATOM 647 CB ASN A 40 3.587 -15.966 9.952 1.00 0.00 C ATOM 648 CG ASN A 40 3.508 -16.821 11.216 1.00 0.00 C ATOM 649 OD1 ASN A 40 3.924 -17.974 11.236 1.00 0.00 O ATOM 650 ND2 ASN A 40 2.951 -16.264 12.280 1.00 0.00 N ATOM 0 H ASN A 40 6.014 -16.019 10.535 1.00 0.00 H new ATOM 0 HA ASN A 40 4.500 -17.425 8.633 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.762 -14.929 10.240 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.622 -15.998 9.446 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.859 -16.796 13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.614 -15.302 12.235 1.00 0.00 H new ATOM 657 N GLU A 41 5.193 -14.252 7.920 1.00 0.00 N ATOM 658 CA GLU A 41 5.248 -13.208 6.884 1.00 0.00 C ATOM 659 C GLU A 41 6.057 -13.682 5.657 1.00 0.00 C ATOM 660 O GLU A 41 5.619 -13.512 4.514 1.00 0.00 O ATOM 661 CB GLU A 41 5.881 -11.926 7.475 1.00 0.00 C ATOM 662 CG GLU A 41 5.123 -11.291 8.658 1.00 0.00 C ATOM 663 CD GLU A 41 3.796 -10.637 8.251 1.00 0.00 C ATOM 664 OE1 GLU A 41 3.825 -9.527 7.684 1.00 0.00 O ATOM 665 OE2 GLU A 41 2.724 -11.224 8.483 1.00 0.00 O ATOM 0 H GLU A 41 5.606 -13.963 8.807 1.00 0.00 H new ATOM 0 HA GLU A 41 4.231 -12.995 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.895 -12.160 7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.964 -11.184 6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.927 -12.058 9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.760 -10.541 9.128 1.00 0.00 H new ATOM 672 N PHE A 42 7.229 -14.301 5.925 1.00 0.00 N ATOM 673 CA PHE A 42 8.104 -14.849 4.874 1.00 0.00 C ATOM 674 C PHE A 42 7.390 -15.966 4.086 1.00 0.00 C ATOM 675 O PHE A 42 7.261 -15.865 2.870 1.00 0.00 O ATOM 676 CB PHE A 42 9.466 -15.356 5.449 1.00 0.00 C ATOM 677 CG PHE A 42 10.565 -14.287 5.517 1.00 0.00 C ATOM 678 CD1 PHE A 42 11.160 -13.809 4.344 1.00 0.00 C ATOM 679 CD2 PHE A 42 11.005 -13.768 6.730 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.159 -12.852 4.391 1.00 0.00 C ATOM 681 CE2 PHE A 42 12.006 -12.814 6.775 1.00 0.00 C ATOM 682 CZ PHE A 42 12.580 -12.354 5.606 1.00 0.00 C ATOM 0 H PHE A 42 7.589 -14.432 6.870 1.00 0.00 H new ATOM 0 HA PHE A 42 8.328 -14.033 4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.298 -15.751 6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.820 -16.184 4.835 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.835 -14.192 3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.559 -14.115 7.650 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.609 -12.495 3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.339 -12.428 7.727 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.357 -11.605 5.643 1.00 0.00 H new ATOM 692 N LYS A 43 6.893 -17.009 4.776 1.00 0.00 N ATOM 693 CA LYS A 43 6.246 -18.162 4.095 1.00 0.00 C ATOM 694 C LYS A 43 4.994 -17.733 3.298 1.00 0.00 C ATOM 695 O LYS A 43 4.665 -18.358 2.282 1.00 0.00 O ATOM 696 CB LYS A 43 5.913 -19.312 5.082 1.00 0.00 C ATOM 697 CG LYS A 43 4.938 -18.960 6.218 1.00 0.00 C ATOM 698 CD LYS A 43 4.671 -20.146 7.175 1.00 0.00 C ATOM 699 CE LYS A 43 5.931 -20.597 7.933 1.00 0.00 C ATOM 700 NZ LYS A 43 5.685 -21.808 8.753 1.00 0.00 N ATOM 0 H LYS A 43 6.923 -17.084 5.793 1.00 0.00 H new ATOM 0 HA LYS A 43 6.974 -18.547 3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.494 -20.143 4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.844 -19.666 5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.341 -18.123 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.993 -18.627 5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.903 -19.861 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.276 -20.986 6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.730 -20.799 7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.276 -19.788 8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.589 -22.281 8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.230 -21.535 9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.063 -22.459 8.233 1.00 0.00 H new ATOM 714 N THR A 44 4.331 -16.643 3.740 1.00 0.00 N ATOM 715 CA THR A 44 3.205 -16.053 2.998 1.00 0.00 C ATOM 716 C THR A 44 3.693 -15.440 1.675 1.00 0.00 C ATOM 717 O THR A 44 3.219 -15.831 0.608 1.00 0.00 O ATOM 718 CB THR A 44 2.454 -14.962 3.828 1.00 0.00 C ATOM 719 OG1 THR A 44 2.009 -15.526 5.070 1.00 0.00 O ATOM 720 CG2 THR A 44 1.232 -14.390 3.071 1.00 0.00 C ATOM 0 H THR A 44 4.559 -16.157 4.607 1.00 0.00 H new ATOM 0 HA THR A 44 2.504 -16.863 2.795 1.00 0.00 H new ATOM 0 HB THR A 44 3.155 -14.146 4.003 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.760 -15.566 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.743 -13.636 3.687 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.563 -13.936 2.137 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.529 -15.194 2.855 1.00 0.00 H new ATOM 728 N ILE A 45 4.674 -14.505 1.751 1.00 0.00 N ATOM 729 CA ILE A 45 5.151 -13.757 0.563 1.00 0.00 C ATOM 730 C ILE A 45 5.784 -14.709 -0.475 1.00 0.00 C ATOM 731 O ILE A 45 5.674 -14.483 -1.660 1.00 0.00 O ATOM 732 CB ILE A 45 6.161 -12.586 0.912 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.532 -13.121 1.460 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.510 -11.572 1.892 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.559 -12.056 1.825 1.00 0.00 C ATOM 0 H ILE A 45 5.147 -14.253 2.619 1.00 0.00 H new ATOM 0 HA ILE A 45 4.264 -13.289 0.136 1.00 0.00 H new ATOM 0 HB ILE A 45 6.385 -12.064 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.337 -13.729 2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.970 -13.780 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.221 -10.777 2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.619 -11.143 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.233 -12.084 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.466 -12.536 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.795 -11.460 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.152 -11.409 2.602 1.00 0.00 H new ATOM 747 N ILE A 46 6.400 -15.795 0.001 1.00 0.00 N ATOM 748 CA ILE A 46 7.055 -16.809 -0.854 1.00 0.00 C ATOM 749 C ILE A 46 6.010 -17.721 -1.522 1.00 0.00 C ATOM 750 O ILE A 46 6.173 -18.105 -2.679 1.00 0.00 O ATOM 751 CB ILE A 46 8.095 -17.628 -0.001 1.00 0.00 C ATOM 752 CG1 ILE A 46 9.248 -16.678 0.469 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.666 -18.844 -0.768 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.965 -17.132 1.713 1.00 0.00 C ATOM 0 H ILE A 46 6.463 -16.004 0.997 1.00 0.00 H new ATOM 0 HA ILE A 46 7.595 -16.309 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 46 7.571 -18.029 0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.974 -16.582 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.834 -15.685 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.377 -19.373 -0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.853 -19.517 -1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.171 -18.500 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.746 -16.415 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.255 -17.200 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.413 -18.110 1.538 1.00 0.00 H new ATOM 766 N ALA A 47 4.936 -18.053 -0.785 1.00 0.00 N ATOM 767 CA ALA A 47 3.803 -18.833 -1.329 1.00 0.00 C ATOM 768 C ALA A 47 2.993 -18.014 -2.355 1.00 0.00 C ATOM 769 O ALA A 47 2.467 -18.563 -3.324 1.00 0.00 O ATOM 770 CB ALA A 47 2.898 -19.305 -0.185 1.00 0.00 C ATOM 0 H ALA A 47 4.826 -17.793 0.195 1.00 0.00 H new ATOM 0 HA ALA A 47 4.207 -19.702 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.066 -19.879 -0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.471 -19.932 0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.513 -18.440 0.355 1.00 0.00 H new ATOM 776 N ASN A 48 2.920 -16.693 -2.132 1.00 0.00 N ATOM 777 CA ASN A 48 2.120 -15.771 -2.958 1.00 0.00 C ATOM 778 C ASN A 48 2.859 -15.407 -4.256 1.00 0.00 C ATOM 779 O ASN A 48 2.287 -15.489 -5.347 1.00 0.00 O ATOM 780 CB ASN A 48 1.767 -14.490 -2.146 1.00 0.00 C ATOM 781 CG ASN A 48 0.690 -14.689 -1.057 1.00 0.00 C ATOM 782 OD1 ASN A 48 0.605 -15.874 -0.460 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 -0.057 -13.760 -0.745 1.00 0.00 N flip ATOM 0 H ASN A 48 3.416 -16.230 -1.370 1.00 0.00 H new ATOM 0 HA ASN A 48 1.194 -16.275 -3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.675 -14.114 -1.675 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.425 -13.721 -2.838 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.025 -12.859 -1.216 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.758 -13.892 -0.016 1.00 0.00 H new ATOM 790 N THR A 49 4.133 -15.003 -4.127 1.00 0.00 N ATOM 791 CA THR A 49 4.966 -14.588 -5.271 1.00 0.00 C ATOM 792 C THR A 49 5.484 -15.816 -6.033 1.00 0.00 C ATOM 793 O THR A 49 5.591 -15.800 -7.264 1.00 0.00 O ATOM 794 CB THR A 49 6.185 -13.723 -4.806 1.00 0.00 C ATOM 795 OG1 THR A 49 7.065 -14.516 -3.987 1.00 0.00 O ATOM 796 CG2 THR A 49 5.743 -12.480 -4.011 1.00 0.00 C ATOM 0 H THR A 49 4.615 -14.954 -3.229 1.00 0.00 H new ATOM 0 HA THR A 49 4.338 -13.986 -5.928 1.00 0.00 H new ATOM 0 HB THR A 49 6.703 -13.385 -5.704 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.632 -14.704 -3.128 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.622 -11.910 -3.709 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.103 -11.857 -4.636 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.191 -12.792 -3.125 1.00 0.00 H new ATOM 804 N GLY A 50 5.788 -16.878 -5.274 1.00 0.00 N ATOM 805 CA GLY A 50 6.424 -18.077 -5.809 1.00 0.00 C ATOM 806 C GLY A 50 7.932 -17.921 -5.935 1.00 0.00 C ATOM 807 O GLY A 50 8.552 -18.542 -6.804 1.00 0.00 O ATOM 0 H GLY A 50 5.598 -16.924 -4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.201 -18.924 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.001 -18.305 -6.788 1.00 0.00 H new ATOM 811 N VAL A 51 8.539 -17.088 -5.057 1.00 0.00 N ATOM 812 CA VAL A 51 9.983 -16.790 -5.120 1.00 0.00 C ATOM 813 C VAL A 51 10.786 -17.923 -4.462 1.00 0.00 C ATOM 814 O VAL A 51 10.270 -18.643 -3.598 1.00 0.00 O ATOM 815 CB VAL A 51 10.332 -15.404 -4.442 1.00 0.00 C ATOM 816 CG1 VAL A 51 10.107 -15.415 -2.911 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.768 -14.925 -4.787 1.00 0.00 C ATOM 0 H VAL A 51 8.049 -16.613 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 51 10.258 -16.716 -6.172 1.00 0.00 H new ATOM 0 HB VAL A 51 9.632 -14.684 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.362 -14.439 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.061 -15.636 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.739 -16.178 -2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.960 -13.970 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.491 -15.663 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.862 -14.806 -5.866 1.00 0.00 H new ATOM 827 N GLU A 52 12.032 -18.096 -4.913 1.00 0.00 N ATOM 828 CA GLU A 52 12.987 -19.015 -4.301 1.00 0.00 C ATOM 829 C GLU A 52 13.386 -18.470 -2.913 1.00 0.00 C ATOM 830 O GLU A 52 13.906 -17.354 -2.799 1.00 0.00 O ATOM 831 CB GLU A 52 14.226 -19.170 -5.219 1.00 0.00 C ATOM 832 CG GLU A 52 15.346 -20.090 -4.686 1.00 0.00 C ATOM 833 CD GLU A 52 16.645 -19.981 -5.501 1.00 0.00 C ATOM 834 OE1 GLU A 52 16.597 -20.177 -6.731 1.00 0.00 O ATOM 835 OE2 GLU A 52 17.706 -19.655 -4.925 1.00 0.00 O ATOM 0 H GLU A 52 12.406 -17.596 -5.720 1.00 0.00 H new ATOM 0 HA GLU A 52 12.537 -20.000 -4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.894 -19.554 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.648 -18.181 -5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.553 -19.838 -3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.999 -21.123 -4.701 1.00 0.00 H new ATOM 842 N ILE A 53 13.106 -19.268 -1.875 1.00 0.00 N ATOM 843 CA ILE A 53 13.376 -18.914 -0.466 1.00 0.00 C ATOM 844 C ILE A 53 14.910 -18.765 -0.246 1.00 0.00 C ATOM 845 O ILE A 53 15.360 -17.933 0.550 1.00 0.00 O ATOM 846 CB ILE A 53 12.713 -20.006 0.483 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.594 -19.559 1.987 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.409 -21.378 0.354 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.854 -19.596 2.825 1.00 0.00 C ATOM 0 H ILE A 53 12.681 -20.189 -1.986 1.00 0.00 H new ATOM 0 HA ILE A 53 12.929 -17.952 -0.216 1.00 0.00 H new ATOM 0 HB ILE A 53 11.689 -20.112 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.206 -18.541 2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.850 -20.193 2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.926 -22.095 1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.334 -21.729 -0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.460 -21.280 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.627 -19.263 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.241 -20.615 2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.603 -18.937 2.386 1.00 0.00 H new ATOM 861 N ASN A 54 15.691 -19.538 -1.024 1.00 0.00 N ATOM 862 CA ASN A 54 17.158 -19.572 -0.927 1.00 0.00 C ATOM 863 C ASN A 54 17.792 -18.254 -1.433 1.00 0.00 C ATOM 864 O ASN A 54 18.736 -17.761 -0.811 1.00 0.00 O ATOM 865 CB ASN A 54 17.709 -20.792 -1.705 1.00 0.00 C ATOM 866 CG ASN A 54 19.239 -20.906 -1.681 1.00 0.00 C ATOM 867 OD1 ASN A 54 19.815 -21.550 -0.805 1.00 0.00 O ATOM 868 ND2 ASN A 54 19.900 -20.287 -2.649 1.00 0.00 N ATOM 0 H ASN A 54 15.317 -20.159 -1.741 1.00 0.00 H new ATOM 0 HA ASN A 54 17.430 -19.674 0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 54 17.280 -21.702 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.375 -20.731 -2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 54 20.918 -20.336 -2.683 1.00 0.00 H new ATOM 0 HD22 ASN A 54 19.390 -19.762 -3.359 1.00 0.00 H new ATOM 875 N LYS A 55 17.270 -17.675 -2.549 1.00 0.00 N ATOM 876 CA LYS A 55 17.825 -16.408 -3.107 1.00 0.00 C ATOM 877 C LYS A 55 17.422 -15.185 -2.263 1.00 0.00 C ATOM 878 O LYS A 55 17.865 -14.067 -2.550 1.00 0.00 O ATOM 879 CB LYS A 55 17.438 -16.169 -4.597 1.00 0.00 C ATOM 880 CG LYS A 55 15.939 -15.905 -4.870 1.00 0.00 C ATOM 881 CD LYS A 55 15.667 -15.266 -6.262 1.00 0.00 C ATOM 882 CE LYS A 55 16.316 -16.018 -7.453 1.00 0.00 C ATOM 883 NZ LYS A 55 15.818 -17.410 -7.604 1.00 0.00 N ATOM 0 H LYS A 55 16.481 -18.056 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 55 18.907 -16.529 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 55 18.011 -15.320 -4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.745 -17.039 -5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.393 -16.846 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.546 -15.248 -4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.590 -15.219 -6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 55 16.033 -14.239 -6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.121 -15.467 -8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.397 -16.038 -7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.962 -17.726 -8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.339 -18.037 -6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.804 -17.443 -7.375 1.00 0.00 H new ATOM 897 N LEU A 56 16.573 -15.387 -1.236 1.00 0.00 N ATOM 898 CA LEU A 56 16.286 -14.332 -0.255 1.00 0.00 C ATOM 899 C LEU A 56 17.501 -14.121 0.664 1.00 0.00 C ATOM 900 O LEU A 56 17.708 -13.026 1.148 1.00 0.00 O ATOM 901 CB LEU A 56 15.031 -14.642 0.593 1.00 0.00 C ATOM 902 CG LEU A 56 13.689 -14.817 -0.180 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.501 -14.867 0.797 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.480 -13.720 -1.239 1.00 0.00 C ATOM 0 H LEU A 56 16.080 -16.264 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 56 16.083 -13.419 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.219 -15.555 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.904 -13.838 1.318 1.00 0.00 H new ATOM 0 HG LEU A 56 13.745 -15.767 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.574 -14.990 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.626 -15.708 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.460 -13.939 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.532 -13.884 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.466 -12.744 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.294 -13.754 -1.963 1.00 0.00 H new ATOM 916 N PHE A 57 18.301 -15.188 0.875 1.00 0.00 N ATOM 917 CA PHE A 57 19.557 -15.121 1.659 1.00 0.00 C ATOM 918 C PHE A 57 20.596 -14.188 1.004 1.00 0.00 C ATOM 919 O PHE A 57 20.494 -13.859 -0.181 1.00 0.00 O ATOM 920 CB PHE A 57 20.179 -16.531 1.850 1.00 0.00 C ATOM 921 CG PHE A 57 19.487 -17.416 2.891 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.373 -18.188 2.557 1.00 0.00 C ATOM 923 CD2 PHE A 57 19.959 -17.476 4.207 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.759 -18.990 3.500 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.344 -18.281 5.148 1.00 0.00 C ATOM 926 CZ PHE A 57 18.245 -19.037 4.795 1.00 0.00 C ATOM 0 H PHE A 57 18.097 -16.118 0.509 1.00 0.00 H new ATOM 0 HA PHE A 57 19.291 -14.712 2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.166 -17.049 0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.225 -16.413 2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.986 -18.158 1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.817 -16.885 4.492 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.898 -19.581 3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.723 -18.318 6.158 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.764 -19.666 5.530 1.00 0.00 H new ATOM 936 N ASN A 58 21.598 -13.781 1.809 1.00 0.00 N ATOM 937 CA ASN A 58 22.778 -12.997 1.367 1.00 0.00 C ATOM 938 C ASN A 58 23.771 -13.891 0.570 1.00 0.00 C ATOM 939 O ASN A 58 24.950 -14.021 0.908 1.00 0.00 O ATOM 940 CB ASN A 58 23.447 -12.313 2.607 1.00 0.00 C ATOM 941 CG ASN A 58 24.070 -13.264 3.668 1.00 0.00 C ATOM 942 OD1 ASN A 58 25.076 -12.922 4.282 1.00 0.00 O ATOM 943 ND2 ASN A 58 23.487 -14.442 3.906 1.00 0.00 N ATOM 0 H ASN A 58 21.613 -13.991 2.807 1.00 0.00 H new ATOM 0 HA ASN A 58 22.458 -12.209 0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 58 24.228 -11.643 2.248 1.00 0.00 H new ATOM 0 HB3 ASN A 58 22.698 -11.694 3.101 1.00 0.00 H new ATOM 0 HD21 ASN A 58 23.878 -15.072 4.607 1.00 0.00 H new ATOM 0 HD22 ASN A 58 22.651 -14.712 3.387 1.00 0.00 H new ATOM 950 N THR A 59 23.268 -14.442 -0.544 1.00 0.00 N ATOM 951 CA THR A 59 23.938 -15.490 -1.339 1.00 0.00 C ATOM 952 C THR A 59 25.141 -14.965 -2.154 1.00 0.00 C ATOM 953 O THR A 59 25.875 -15.766 -2.748 1.00 0.00 O ATOM 954 CB THR A 59 22.895 -16.175 -2.289 1.00 0.00 C ATOM 955 OG1 THR A 59 22.162 -15.169 -3.020 1.00 0.00 O ATOM 956 CG2 THR A 59 21.903 -17.066 -1.516 1.00 0.00 C ATOM 0 H THR A 59 22.364 -14.168 -0.929 1.00 0.00 H new ATOM 0 HA THR A 59 24.341 -16.217 -0.634 1.00 0.00 H new ATOM 0 HB THR A 59 23.452 -16.811 -2.977 1.00 0.00 H new ATOM 0 HG1 THR A 59 21.513 -15.603 -3.613 1.00 0.00 H new ATOM 0 HG21 THR A 59 21.200 -17.519 -2.215 1.00 0.00 H new ATOM 0 HG22 THR A 59 22.450 -17.850 -0.992 1.00 0.00 H new ATOM 0 HG23 THR A 59 21.356 -16.460 -0.794 1.00 0.00 H new ATOM 964 N HIS A 60 25.328 -13.626 -2.182 1.00 0.00 N ATOM 965 CA HIS A 60 26.505 -12.984 -2.801 1.00 0.00 C ATOM 966 C HIS A 60 27.698 -13.096 -1.828 1.00 0.00 C ATOM 967 O HIS A 60 28.060 -12.126 -1.145 1.00 0.00 O ATOM 968 CB HIS A 60 26.175 -11.499 -3.155 1.00 0.00 C ATOM 969 CG HIS A 60 27.276 -10.747 -3.884 1.00 0.00 C ATOM 970 ND1 HIS A 60 27.418 -10.764 -5.255 1.00 0.00 N ATOM 971 CD2 HIS A 60 28.277 -9.946 -3.423 1.00 0.00 C ATOM 972 CE1 HIS A 60 28.448 -10.018 -5.602 1.00 0.00 C ATOM 973 NE2 HIS A 60 28.989 -9.511 -4.509 1.00 0.00 N ATOM 0 H HIS A 60 24.667 -12.963 -1.776 1.00 0.00 H new ATOM 0 HA HIS A 60 26.771 -13.485 -3.731 1.00 0.00 H new ATOM 0 HB2 HIS A 60 25.276 -11.480 -3.770 1.00 0.00 H new ATOM 0 HB3 HIS A 60 25.942 -10.966 -2.233 1.00 0.00 H new ATOM 0 HD2 HIS A 60 28.473 -9.699 -2.390 1.00 0.00 H new ATOM 0 HE1 HIS A 60 28.792 -9.849 -6.612 1.00 0.00 H new ATOM 0 HE2 HIS A 60 29.803 -8.897 -4.479 1.00 0.00 H new ATOM 982 N GLY A 61 28.266 -14.317 -1.755 1.00 0.00 N ATOM 983 CA GLY A 61 29.332 -14.652 -0.807 1.00 0.00 C ATOM 984 C GLY A 61 28.916 -14.384 0.641 1.00 0.00 C ATOM 985 O GLY A 61 28.059 -15.100 1.177 1.00 0.00 O ATOM 0 H GLY A 61 27.993 -15.095 -2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 61 29.600 -15.703 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 61 30.223 -14.069 -1.042 1.00 0.00 H new ATOM 989 N ALA A 62 29.559 -13.365 1.261 1.00 0.00 N ATOM 990 CA ALA A 62 29.122 -12.759 2.540 1.00 0.00 C ATOM 991 C ALA A 62 29.030 -13.795 3.690 1.00 0.00 C ATOM 992 O ALA A 62 29.786 -14.776 3.712 1.00 0.00 O ATOM 993 CB ALA A 62 27.785 -12.014 2.303 1.00 0.00 C ATOM 0 H ALA A 62 30.404 -12.937 0.882 1.00 0.00 H new ATOM 0 HA ALA A 62 29.875 -12.043 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 62 27.450 -11.562 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 62 27.930 -11.235 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 62 27.033 -12.720 1.951 1.00 0.00 H new ATOM 999 N LYS A 63 28.105 -13.555 4.648 1.00 0.00 N ATOM 1000 CA LYS A 63 27.868 -14.451 5.793 1.00 0.00 C ATOM 1001 C LYS A 63 27.327 -15.825 5.353 1.00 0.00 C ATOM 1002 O LYS A 63 27.419 -16.784 6.098 1.00 0.00 O ATOM 1003 CB LYS A 63 26.888 -13.805 6.791 1.00 0.00 C ATOM 1004 CG LYS A 63 27.285 -12.387 7.259 1.00 0.00 C ATOM 1005 CD LYS A 63 26.195 -11.731 8.137 1.00 0.00 C ATOM 1006 CE LYS A 63 24.843 -11.633 7.421 1.00 0.00 C ATOM 1007 NZ LYS A 63 24.915 -10.805 6.184 1.00 0.00 N ATOM 0 H LYS A 63 27.503 -12.732 4.644 1.00 0.00 H new ATOM 0 HA LYS A 63 28.832 -14.609 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.901 -13.758 6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.802 -14.451 7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.217 -12.440 7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.473 -11.759 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.076 -12.308 9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.521 -10.733 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.497 -12.634 7.165 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.106 -11.204 8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.996 -10.348 6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.649 -10.077 6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.150 -11.412 5.373 1.00 0.00 H new ATOM 1021 N TYR A 64 26.762 -15.915 4.142 1.00 0.00 N ATOM 1022 CA TYR A 64 26.218 -17.181 3.606 1.00 0.00 C ATOM 1023 C TYR A 64 27.312 -18.286 3.529 1.00 0.00 C ATOM 1024 O TYR A 64 27.019 -19.477 3.697 1.00 0.00 O ATOM 1025 CB TYR A 64 25.582 -16.933 2.217 1.00 0.00 C ATOM 1026 CG TYR A 64 24.741 -18.101 1.690 1.00 0.00 C ATOM 1027 CD1 TYR A 64 23.411 -18.246 2.075 1.00 0.00 C ATOM 1028 CD2 TYR A 64 25.274 -19.065 0.826 1.00 0.00 C ATOM 1029 CE1 TYR A 64 22.648 -19.299 1.629 1.00 0.00 C ATOM 1030 CE2 TYR A 64 24.507 -20.123 0.374 1.00 0.00 C ATOM 1031 CZ TYR A 64 23.196 -20.234 0.780 1.00 0.00 C ATOM 1032 OH TYR A 64 22.429 -21.289 0.347 1.00 0.00 O ATOM 0 H TYR A 64 26.667 -15.123 3.507 1.00 0.00 H new ATOM 0 HA TYR A 64 25.447 -17.539 4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 64 24.954 -16.044 2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.375 -16.719 1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 64 22.970 -17.516 2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.302 -18.981 0.507 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.619 -19.393 1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 64 24.933 -20.857 -0.293 1.00 0.00 H new ATOM 0 HH TYR A 64 21.565 -20.955 0.026 1.00 0.00 H new ATOM 1042 N ARG A 65 28.576 -17.863 3.314 1.00 0.00 N ATOM 1043 CA ARG A 65 29.736 -18.783 3.209 1.00 0.00 C ATOM 1044 C ARG A 65 30.653 -18.649 4.435 1.00 0.00 C ATOM 1045 O ARG A 65 31.418 -19.567 4.741 1.00 0.00 O ATOM 1046 CB ARG A 65 30.509 -18.559 1.865 1.00 0.00 C ATOM 1047 CG ARG A 65 31.018 -17.115 1.576 1.00 0.00 C ATOM 1048 CD ARG A 65 32.322 -16.725 2.305 1.00 0.00 C ATOM 1049 NE ARG A 65 32.717 -15.328 2.024 1.00 0.00 N ATOM 1050 CZ ARG A 65 33.367 -14.512 2.878 1.00 0.00 C ATOM 1051 NH1 ARG A 65 33.658 -14.906 4.117 1.00 0.00 N ATOM 1052 NH2 ARG A 65 33.699 -13.287 2.497 1.00 0.00 N ATOM 0 H ARG A 65 28.824 -16.879 3.208 1.00 0.00 H new ATOM 0 HA ARG A 65 29.364 -19.808 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.368 -19.230 1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 65 29.857 -18.859 1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 65 31.174 -17.009 0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 65 30.237 -16.408 1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 65 32.190 -16.855 3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 65 33.124 -17.397 1.999 1.00 0.00 H new ATOM 0 HE ARG A 65 32.478 -14.950 1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 65 33.388 -15.838 4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 65 34.150 -14.276 4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 65 33.463 -12.963 1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 65 34.191 -12.668 3.142 1.00 0.00 H new ATOM 1066 N GLU A 66 30.581 -17.485 5.115 1.00 0.00 N ATOM 1067 CA GLU A 66 31.335 -17.227 6.358 1.00 0.00 C ATOM 1068 C GLU A 66 30.810 -18.127 7.489 1.00 0.00 C ATOM 1069 O GLU A 66 31.581 -18.745 8.226 1.00 0.00 O ATOM 1070 CB GLU A 66 31.227 -15.729 6.752 1.00 0.00 C ATOM 1071 CG GLU A 66 32.030 -15.321 8.007 1.00 0.00 C ATOM 1072 CD GLU A 66 33.539 -15.605 7.889 1.00 0.00 C ATOM 1073 OE1 GLU A 66 34.221 -14.900 7.118 1.00 0.00 O ATOM 1074 OE2 GLU A 66 34.044 -16.547 8.540 1.00 0.00 O ATOM 0 H GLU A 66 30.000 -16.701 4.818 1.00 0.00 H new ATOM 0 HA GLU A 66 32.386 -17.461 6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.565 -15.123 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 66 30.177 -15.488 6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.882 -14.257 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 66 31.634 -15.854 8.871 1.00 0.00 H new ATOM 1081 N LEU A 67 29.476 -18.184 7.598 1.00 0.00 N ATOM 1082 CA LEU A 67 28.776 -19.082 8.532 1.00 0.00 C ATOM 1083 C LEU A 67 28.695 -20.503 7.942 1.00 0.00 C ATOM 1084 O LEU A 67 28.433 -21.467 8.668 1.00 0.00 O ATOM 1085 CB LEU A 67 27.348 -18.544 8.820 1.00 0.00 C ATOM 1086 CG LEU A 67 27.248 -17.026 9.167 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.788 -16.601 9.435 1.00 0.00 C ATOM 1088 CD2 LEU A 67 28.175 -16.644 10.336 1.00 0.00 C ATOM 0 H LEU A 67 28.847 -17.607 7.039 1.00 0.00 H new ATOM 0 HA LEU A 67 29.335 -19.120 9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.725 -18.739 7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.926 -19.114 9.647 1.00 0.00 H new ATOM 0 HG LEU A 67 27.592 -16.473 8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.756 -15.538 9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.185 -16.792 8.547 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.391 -17.173 10.274 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.076 -15.579 10.546 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.898 -17.216 11.222 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.208 -16.866 10.069 1.00 0.00 H new ATOM 1100 N ASP A 68 28.904 -20.585 6.601 1.00 0.00 N ATOM 1101 CA ASP A 68 28.862 -21.835 5.814 1.00 0.00 C ATOM 1102 C ASP A 68 27.442 -22.428 5.875 1.00 0.00 C ATOM 1103 O ASP A 68 27.243 -23.635 6.056 1.00 0.00 O ATOM 1104 CB ASP A 68 29.984 -22.817 6.300 1.00 0.00 C ATOM 1105 CG ASP A 68 30.151 -24.077 5.425 1.00 0.00 C ATOM 1106 OD1 ASP A 68 30.657 -23.957 4.289 1.00 0.00 O ATOM 1107 OD2 ASP A 68 29.785 -25.185 5.867 1.00 0.00 O ATOM 0 H ASP A 68 29.110 -19.765 6.031 1.00 0.00 H new ATOM 0 HA ASP A 68 29.074 -21.638 4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 68 30.932 -22.280 6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 68 29.762 -23.126 7.322 1.00 0.00 H new ATOM 1112 N LEU A 69 26.448 -21.524 5.700 1.00 0.00 N ATOM 1113 CA LEU A 69 25.020 -21.856 5.815 1.00 0.00 C ATOM 1114 C LEU A 69 24.609 -22.988 4.879 1.00 0.00 C ATOM 1115 O LEU A 69 23.847 -23.838 5.285 1.00 0.00 O ATOM 1116 CB LEU A 69 24.114 -20.628 5.538 1.00 0.00 C ATOM 1117 CG LEU A 69 24.264 -19.423 6.509 1.00 0.00 C ATOM 1118 CD1 LEU A 69 23.340 -18.261 6.093 1.00 0.00 C ATOM 1119 CD2 LEU A 69 23.986 -19.849 7.970 1.00 0.00 C ATOM 0 H LEU A 69 26.621 -20.544 5.475 1.00 0.00 H new ATOM 0 HA LEU A 69 24.881 -22.182 6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.314 -20.277 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 69 23.075 -20.958 5.561 1.00 0.00 H new ATOM 0 HG LEU A 69 25.295 -19.074 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.464 -17.431 6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.599 -17.933 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.303 -18.597 6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 69 24.098 -18.987 8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.970 -20.236 8.049 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.694 -20.624 8.264 1.00 0.00 H new ATOM 1131 N LYS A 70 25.144 -23.001 3.647 1.00 0.00 N ATOM 1132 CA LYS A 70 24.709 -23.932 2.579 1.00 0.00 C ATOM 1133 C LYS A 70 24.676 -25.409 3.052 1.00 0.00 C ATOM 1134 O LYS A 70 23.720 -26.149 2.764 1.00 0.00 O ATOM 1135 CB LYS A 70 25.633 -23.790 1.342 1.00 0.00 C ATOM 1136 CG LYS A 70 25.138 -24.555 0.086 1.00 0.00 C ATOM 1137 CD LYS A 70 23.725 -24.107 -0.341 1.00 0.00 C ATOM 1138 CE LYS A 70 23.208 -24.806 -1.601 1.00 0.00 C ATOM 1139 NZ LYS A 70 21.848 -24.320 -1.967 1.00 0.00 N ATOM 0 H LYS A 70 25.890 -22.369 3.358 1.00 0.00 H new ATOM 0 HA LYS A 70 23.688 -23.659 2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.730 -22.733 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.628 -24.149 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 70 25.835 -24.392 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 70 25.133 -25.625 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.031 -24.296 0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 70 23.732 -23.030 -0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.896 -24.627 -2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.180 -25.883 -1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.523 -24.811 -2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.189 -24.513 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.882 -23.296 -2.146 1.00 0.00 H new ATOM 1153 N ASN A 71 25.710 -25.788 3.824 1.00 0.00 N ATOM 1154 CA ASN A 71 25.862 -27.149 4.362 1.00 0.00 C ATOM 1155 C ASN A 71 24.744 -27.492 5.367 1.00 0.00 C ATOM 1156 O ASN A 71 24.256 -28.629 5.384 1.00 0.00 O ATOM 1157 CB ASN A 71 27.251 -27.315 5.024 1.00 0.00 C ATOM 1158 CG ASN A 71 27.528 -28.730 5.564 1.00 0.00 C ATOM 1159 OD1 ASN A 71 28.160 -28.889 6.608 1.00 0.00 O ATOM 1160 ND2 ASN A 71 27.106 -29.766 4.837 1.00 0.00 N ATOM 0 H ASN A 71 26.465 -25.157 4.092 1.00 0.00 H new ATOM 0 HA ASN A 71 25.781 -27.845 3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 71 28.021 -27.059 4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 71 27.338 -26.602 5.844 1.00 0.00 H new ATOM 0 HD21 ASN A 71 27.305 -30.718 5.143 1.00 0.00 H new ATOM 0 HD22 ASN A 71 26.584 -29.606 3.976 1.00 0.00 H new ATOM 1167 N LYS A 72 24.341 -26.517 6.207 1.00 0.00 N ATOM 1168 CA LYS A 72 23.233 -26.731 7.151 1.00 0.00 C ATOM 1169 C LYS A 72 21.875 -26.605 6.426 1.00 0.00 C ATOM 1170 O LYS A 72 20.949 -27.317 6.777 1.00 0.00 O ATOM 1171 CB LYS A 72 23.300 -25.784 8.392 1.00 0.00 C ATOM 1172 CG LYS A 72 22.941 -24.309 8.135 1.00 0.00 C ATOM 1173 CD LYS A 72 22.946 -23.453 9.425 1.00 0.00 C ATOM 1174 CE LYS A 72 21.761 -23.759 10.350 1.00 0.00 C ATOM 1175 NZ LYS A 72 21.795 -22.982 11.623 1.00 0.00 N ATOM 0 H LYS A 72 24.761 -25.588 6.249 1.00 0.00 H new ATOM 0 HA LYS A 72 23.334 -27.745 7.537 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.629 -26.173 9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 72 24.309 -25.826 8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.650 -23.887 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.955 -24.256 7.674 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.876 -23.626 9.966 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.926 -22.397 9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.832 -23.542 9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.755 -24.824 10.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.970 -23.232 12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.667 -23.207 12.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.772 -21.964 11.409 1.00 0.00 H new ATOM 1189 N LEU A 73 21.788 -25.753 5.375 1.00 0.00 N ATOM 1190 CA LEU A 73 20.506 -25.451 4.687 1.00 0.00 C ATOM 1191 C LEU A 73 19.967 -26.678 3.949 1.00 0.00 C ATOM 1192 O LEU A 73 18.762 -26.963 3.998 1.00 0.00 O ATOM 1193 CB LEU A 73 20.616 -24.242 3.703 1.00 0.00 C ATOM 1194 CG LEU A 73 21.020 -22.863 4.329 1.00 0.00 C ATOM 1195 CD1 LEU A 73 20.737 -21.680 3.379 1.00 0.00 C ATOM 1196 CD2 LEU A 73 20.370 -22.643 5.703 1.00 0.00 C ATOM 0 H LEU A 73 22.592 -25.261 4.984 1.00 0.00 H new ATOM 0 HA LEU A 73 19.804 -25.171 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.346 -24.494 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.655 -24.121 3.203 1.00 0.00 H new ATOM 0 HG LEU A 73 22.099 -22.900 4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.034 -20.748 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.304 -21.810 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.672 -21.645 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.677 -21.675 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.285 -22.665 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.686 -23.432 6.385 1.00 0.00 H new ATOM 1208 N GLN A 74 20.878 -27.398 3.284 1.00 0.00 N ATOM 1209 CA GLN A 74 20.534 -28.616 2.527 1.00 0.00 C ATOM 1210 C GLN A 74 20.040 -29.759 3.452 1.00 0.00 C ATOM 1211 O GLN A 74 19.275 -30.624 3.009 1.00 0.00 O ATOM 1212 CB GLN A 74 21.752 -29.083 1.684 1.00 0.00 C ATOM 1213 CG GLN A 74 22.999 -29.431 2.513 1.00 0.00 C ATOM 1214 CD GLN A 74 24.207 -29.816 1.666 1.00 0.00 C ATOM 1215 OE1 GLN A 74 25.007 -28.960 1.280 1.00 0.00 O ATOM 1216 NE2 GLN A 74 24.345 -31.100 1.365 1.00 0.00 N ATOM 0 H GLN A 74 21.869 -27.158 3.253 1.00 0.00 H new ATOM 0 HA GLN A 74 19.710 -28.366 1.859 1.00 0.00 H new ATOM 0 HB2 GLN A 74 21.462 -29.957 1.101 1.00 0.00 H new ATOM 0 HB3 GLN A 74 22.010 -28.298 0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 74 23.261 -28.576 3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 74 22.760 -30.255 3.185 1.00 0.00 H new ATOM 0 HE21 GLN A 74 23.663 -31.779 1.702 1.00 0.00 H new ATOM 0 HE22 GLN A 74 25.133 -31.409 0.796 1.00 0.00 H new ATOM 1225 N THR A 75 20.461 -29.751 4.738 1.00 0.00 N ATOM 1226 CA THR A 75 20.100 -30.820 5.692 1.00 0.00 C ATOM 1227 C THR A 75 18.890 -30.427 6.569 1.00 0.00 C ATOM 1228 O THR A 75 18.188 -31.313 7.072 1.00 0.00 O ATOM 1229 CB THR A 75 21.325 -31.261 6.572 1.00 0.00 C ATOM 1230 OG1 THR A 75 21.019 -32.458 7.307 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.793 -30.184 7.563 1.00 0.00 C ATOM 0 H THR A 75 21.049 -29.018 5.136 1.00 0.00 H new ATOM 0 HA THR A 75 19.802 -31.683 5.096 1.00 0.00 H new ATOM 0 HB THR A 75 22.138 -31.437 5.867 1.00 0.00 H new ATOM 0 HG1 THR A 75 21.794 -32.717 7.847 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.641 -30.560 8.135 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.092 -29.291 7.015 1.00 0.00 H new ATOM 0 HG23 THR A 75 20.978 -29.936 8.243 1.00 0.00 H new ATOM 1239 N LEU A 76 18.635 -29.109 6.762 1.00 0.00 N ATOM 1240 CA LEU A 76 17.435 -28.642 7.501 1.00 0.00 C ATOM 1241 C LEU A 76 16.237 -28.438 6.543 1.00 0.00 C ATOM 1242 O LEU A 76 16.383 -28.540 5.317 1.00 0.00 O ATOM 1243 CB LEU A 76 17.743 -27.368 8.377 1.00 0.00 C ATOM 1244 CG LEU A 76 18.332 -26.078 7.688 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.349 -25.369 6.758 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.879 -25.082 8.728 1.00 0.00 C ATOM 0 H LEU A 76 19.236 -28.359 6.421 1.00 0.00 H new ATOM 0 HA LEU A 76 17.148 -29.425 8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.816 -27.080 8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.441 -27.669 9.158 1.00 0.00 H new ATOM 0 HG LEU A 76 19.150 -26.440 7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 76 17.828 -24.492 6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.046 -26.049 5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.471 -25.059 7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.277 -24.205 8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 76 18.075 -24.778 9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.672 -25.557 9.305 1.00 0.00 H new ATOM 1258 N SER A 77 15.059 -28.153 7.124 1.00 0.00 N ATOM 1259 CA SER A 77 13.813 -27.929 6.373 1.00 0.00 C ATOM 1260 C SER A 77 13.702 -26.462 5.922 1.00 0.00 C ATOM 1261 O SER A 77 14.319 -25.579 6.522 1.00 0.00 O ATOM 1262 CB SER A 77 12.610 -28.318 7.263 1.00 0.00 C ATOM 1263 OG SER A 77 12.711 -29.667 7.696 1.00 0.00 O ATOM 0 H SER A 77 14.945 -28.071 8.134 1.00 0.00 H new ATOM 0 HA SER A 77 13.817 -28.550 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.565 -27.657 8.129 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.682 -28.179 6.708 1.00 0.00 H new ATOM 0 HG SER A 77 11.940 -29.889 8.259 1.00 0.00 H new ATOM 1269 N ASP A 78 12.890 -26.210 4.881 1.00 0.00 N ATOM 1270 CA ASP A 78 12.659 -24.848 4.339 1.00 0.00 C ATOM 1271 C ASP A 78 12.079 -23.903 5.407 1.00 0.00 C ATOM 1272 O ASP A 78 12.313 -22.695 5.355 1.00 0.00 O ATOM 1273 CB ASP A 78 11.727 -24.905 3.101 1.00 0.00 C ATOM 1274 CG ASP A 78 12.304 -25.768 1.968 1.00 0.00 C ATOM 1275 OD1 ASP A 78 12.148 -27.003 2.016 1.00 0.00 O ATOM 1276 OD2 ASP A 78 12.948 -25.217 1.046 1.00 0.00 O ATOM 0 H ASP A 78 12.374 -26.939 4.388 1.00 0.00 H new ATOM 0 HA ASP A 78 13.625 -24.447 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.757 -25.303 3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.556 -23.894 2.732 1.00 0.00 H new ATOM 1281 N ASP A 79 11.351 -24.483 6.379 1.00 0.00 N ATOM 1282 CA ASP A 79 10.800 -23.745 7.535 1.00 0.00 C ATOM 1283 C ASP A 79 11.922 -23.156 8.418 1.00 0.00 C ATOM 1284 O ASP A 79 11.793 -22.046 8.932 1.00 0.00 O ATOM 1285 CB ASP A 79 9.866 -24.658 8.371 1.00 0.00 C ATOM 1286 CG ASP A 79 9.137 -23.911 9.512 1.00 0.00 C ATOM 1287 OD1 ASP A 79 8.272 -23.058 9.212 1.00 0.00 O ATOM 1288 OD2 ASP A 79 9.413 -24.180 10.702 1.00 0.00 O ATOM 0 H ASP A 79 11.127 -25.478 6.387 1.00 0.00 H new ATOM 0 HA ASP A 79 10.214 -22.912 7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.125 -25.109 7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.452 -25.473 8.796 1.00 0.00 H new ATOM 1293 N GLU A 80 13.028 -23.902 8.551 1.00 0.00 N ATOM 1294 CA GLU A 80 14.199 -23.486 9.355 1.00 0.00 C ATOM 1295 C GLU A 80 15.043 -22.423 8.613 1.00 0.00 C ATOM 1296 O GLU A 80 15.696 -21.584 9.247 1.00 0.00 O ATOM 1297 CB GLU A 80 15.035 -24.737 9.730 1.00 0.00 C ATOM 1298 CG GLU A 80 14.239 -25.779 10.548 1.00 0.00 C ATOM 1299 CD GLU A 80 15.030 -27.054 10.859 1.00 0.00 C ATOM 1300 OE1 GLU A 80 15.889 -27.029 11.769 1.00 0.00 O ATOM 1301 OE2 GLU A 80 14.807 -28.090 10.193 1.00 0.00 O ATOM 0 H GLU A 80 13.141 -24.813 8.106 1.00 0.00 H new ATOM 0 HA GLU A 80 13.853 -23.014 10.275 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.404 -25.206 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.908 -24.424 10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.918 -25.324 11.485 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.337 -26.047 9.998 1.00 0.00 H new ATOM 1308 N LYS A 81 15.005 -22.451 7.259 1.00 0.00 N ATOM 1309 CA LYS A 81 15.586 -21.370 6.421 1.00 0.00 C ATOM 1310 C LYS A 81 14.781 -20.061 6.600 1.00 0.00 C ATOM 1311 O LYS A 81 15.363 -18.970 6.687 1.00 0.00 O ATOM 1312 CB LYS A 81 15.630 -21.766 4.917 1.00 0.00 C ATOM 1313 CG LYS A 81 16.714 -22.795 4.536 1.00 0.00 C ATOM 1314 CD LYS A 81 16.846 -23.026 3.009 1.00 0.00 C ATOM 1315 CE LYS A 81 15.543 -23.531 2.375 1.00 0.00 C ATOM 1316 NZ LYS A 81 15.739 -24.036 0.991 1.00 0.00 N ATOM 0 H LYS A 81 14.580 -23.208 6.723 1.00 0.00 H new ATOM 0 HA LYS A 81 16.612 -21.212 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.657 -22.168 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.785 -20.864 4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.674 -22.460 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.486 -23.745 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 81 17.142 -22.094 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 81 17.641 -23.748 2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.127 -24.327 2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.812 -22.722 2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.887 -24.547 0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.912 -23.235 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.555 -24.680 0.969 1.00 0.00 H new ATOM 1330 N LEU A 82 13.437 -20.205 6.657 1.00 0.00 N ATOM 1331 CA LEU A 82 12.508 -19.094 6.958 1.00 0.00 C ATOM 1332 C LEU A 82 12.859 -18.447 8.310 1.00 0.00 C ATOM 1333 O LEU A 82 12.941 -17.224 8.412 1.00 0.00 O ATOM 1334 CB LEU A 82 11.043 -19.608 6.999 1.00 0.00 C ATOM 1335 CG LEU A 82 10.435 -20.084 5.644 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.115 -20.850 5.857 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.221 -18.899 4.696 1.00 0.00 C ATOM 0 H LEU A 82 12.967 -21.096 6.495 1.00 0.00 H new ATOM 0 HA LEU A 82 12.606 -18.349 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.992 -20.436 7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.413 -18.812 7.395 1.00 0.00 H new ATOM 0 HG LEU A 82 11.149 -20.769 5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.719 -21.167 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.299 -21.726 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.392 -20.200 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.796 -19.256 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.538 -18.184 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.177 -18.413 4.500 1.00 0.00 H new ATOM 1349 N GLU A 83 13.094 -19.310 9.317 1.00 0.00 N ATOM 1350 CA GLU A 83 13.471 -18.899 10.680 1.00 0.00 C ATOM 1351 C GLU A 83 14.780 -18.085 10.691 1.00 0.00 C ATOM 1352 O GLU A 83 14.854 -17.062 11.359 1.00 0.00 O ATOM 1353 CB GLU A 83 13.599 -20.141 11.601 1.00 0.00 C ATOM 1354 CG GLU A 83 12.275 -20.882 11.860 1.00 0.00 C ATOM 1355 CD GLU A 83 12.415 -22.060 12.834 1.00 0.00 C ATOM 1356 OE1 GLU A 83 12.391 -21.835 14.069 1.00 0.00 O ATOM 1357 OE2 GLU A 83 12.546 -23.212 12.383 1.00 0.00 O ATOM 0 H GLU A 83 13.026 -20.322 9.204 1.00 0.00 H new ATOM 0 HA GLU A 83 12.680 -18.253 11.060 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.309 -20.837 11.155 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.018 -19.827 12.557 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.545 -20.177 12.257 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.881 -21.249 10.912 1.00 0.00 H new ATOM 1364 N LEU A 84 15.794 -18.550 9.938 1.00 0.00 N ATOM 1365 CA LEU A 84 17.091 -17.844 9.785 1.00 0.00 C ATOM 1366 C LEU A 84 16.900 -16.410 9.245 1.00 0.00 C ATOM 1367 O LEU A 84 17.410 -15.436 9.834 1.00 0.00 O ATOM 1368 CB LEU A 84 18.025 -18.663 8.852 1.00 0.00 C ATOM 1369 CG LEU A 84 18.622 -19.965 9.478 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.110 -20.943 8.398 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.768 -19.633 10.463 1.00 0.00 C ATOM 0 H LEU A 84 15.743 -19.425 9.416 1.00 0.00 H new ATOM 0 HA LEU A 84 17.551 -17.758 10.769 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.468 -18.933 7.955 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.848 -18.022 8.535 1.00 0.00 H new ATOM 0 HG LEU A 84 17.820 -20.453 10.032 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.518 -21.835 8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.274 -21.223 7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 84 19.884 -20.465 7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.165 -20.557 10.884 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.561 -19.105 9.934 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.386 -19.003 11.266 1.00 0.00 H new ATOM 1383 N LEU A 85 16.125 -16.300 8.152 1.00 0.00 N ATOM 1384 CA LEU A 85 15.807 -15.001 7.525 1.00 0.00 C ATOM 1385 C LEU A 85 15.038 -14.077 8.499 1.00 0.00 C ATOM 1386 O LEU A 85 15.249 -12.860 8.517 1.00 0.00 O ATOM 1387 CB LEU A 85 14.957 -15.210 6.242 1.00 0.00 C ATOM 1388 CG LEU A 85 15.626 -16.009 5.084 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.631 -16.244 3.925 1.00 0.00 C ATOM 1390 CD2 LEU A 85 16.907 -15.303 4.579 1.00 0.00 C ATOM 0 H LEU A 85 15.704 -17.100 7.680 1.00 0.00 H new ATOM 0 HA LEU A 85 16.753 -14.526 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.037 -15.723 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.672 -14.230 5.859 1.00 0.00 H new ATOM 0 HG LEU A 85 15.918 -16.981 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.124 -16.804 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.774 -16.810 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.292 -15.284 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.349 -15.886 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.654 -14.308 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.622 -15.216 5.398 1.00 0.00 H new ATOM 1402 N SER A 86 14.148 -14.688 9.299 1.00 0.00 N ATOM 1403 CA SER A 86 13.299 -13.976 10.263 1.00 0.00 C ATOM 1404 C SER A 86 14.082 -13.567 11.522 1.00 0.00 C ATOM 1405 O SER A 86 13.683 -12.631 12.214 1.00 0.00 O ATOM 1406 CB SER A 86 12.110 -14.868 10.654 1.00 0.00 C ATOM 1407 OG SER A 86 11.368 -15.252 9.511 1.00 0.00 O ATOM 0 H SER A 86 13.998 -15.697 9.293 1.00 0.00 H new ATOM 0 HA SER A 86 12.941 -13.063 9.787 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.472 -15.756 11.173 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.463 -14.334 11.350 1.00 0.00 H new ATOM 0 HG SER A 86 11.875 -15.916 9.000 1.00 0.00 H new ATOM 1413 N SER A 87 15.183 -14.287 11.819 1.00 0.00 N ATOM 1414 CA SER A 87 16.045 -13.996 12.976 1.00 0.00 C ATOM 1415 C SER A 87 16.922 -12.768 12.688 1.00 0.00 C ATOM 1416 O SER A 87 17.042 -11.867 13.530 1.00 0.00 O ATOM 1417 CB SER A 87 16.924 -15.216 13.326 1.00 0.00 C ATOM 1418 OG SER A 87 16.133 -16.344 13.662 1.00 0.00 O ATOM 0 H SER A 87 15.496 -15.083 11.264 1.00 0.00 H new ATOM 0 HA SER A 87 15.408 -13.779 13.834 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.566 -15.459 12.479 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.579 -14.967 14.161 1.00 0.00 H new ATOM 0 HG SER A 87 15.645 -16.649 12.869 1.00 0.00 H new ATOM 1424 N ASP A 88 17.527 -12.742 11.482 1.00 0.00 N ATOM 1425 CA ASP A 88 18.401 -11.637 11.041 1.00 0.00 C ATOM 1426 C ASP A 88 18.004 -11.183 9.634 1.00 0.00 C ATOM 1427 O ASP A 88 18.046 -11.975 8.683 1.00 0.00 O ATOM 1428 CB ASP A 88 19.906 -12.052 11.045 1.00 0.00 C ATOM 1429 CG ASP A 88 20.445 -12.413 12.442 1.00 0.00 C ATOM 1430 OD1 ASP A 88 20.212 -13.551 12.905 1.00 0.00 O ATOM 1431 OD2 ASP A 88 21.096 -11.560 13.093 1.00 0.00 O ATOM 0 H ASP A 88 17.423 -13.484 10.790 1.00 0.00 H new ATOM 0 HA ASP A 88 18.272 -10.817 11.747 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.040 -12.907 10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.500 -11.235 10.636 1.00 0.00 H new ATOM 1436 N GLY A 89 17.638 -9.893 9.509 1.00 0.00 N ATOM 1437 CA GLY A 89 17.472 -9.251 8.203 1.00 0.00 C ATOM 1438 C GLY A 89 18.800 -9.089 7.463 1.00 0.00 C ATOM 1439 O GLY A 89 18.823 -8.795 6.272 1.00 0.00 O ATOM 0 H GLY A 89 17.453 -9.279 10.302 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.789 -9.843 7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.012 -8.272 8.338 1.00 0.00 H new ATOM 1443 N MET A 90 19.912 -9.253 8.205 1.00 0.00 N ATOM 1444 CA MET A 90 21.262 -9.325 7.635 1.00 0.00 C ATOM 1445 C MET A 90 21.440 -10.624 6.827 1.00 0.00 C ATOM 1446 O MET A 90 22.134 -10.631 5.803 1.00 0.00 O ATOM 1447 CB MET A 90 22.324 -9.227 8.762 1.00 0.00 C ATOM 1448 CG MET A 90 22.403 -7.875 9.497 1.00 0.00 C ATOM 1449 SD MET A 90 22.992 -6.501 8.466 1.00 0.00 S ATOM 1450 CE MET A 90 21.492 -5.863 7.716 1.00 0.00 C ATOM 0 H MET A 90 19.894 -9.339 9.221 1.00 0.00 H new ATOM 0 HA MET A 90 21.400 -8.484 6.956 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.119 -10.006 9.496 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.302 -9.443 8.332 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.415 -7.626 9.884 1.00 0.00 H new ATOM 0 HG3 MET A 90 23.065 -7.979 10.356 1.00 0.00 H new ATOM 0 HE1 MET A 90 21.673 -5.653 6.662 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.696 -6.603 7.807 1.00 0.00 H new ATOM 0 HE3 MET A 90 21.194 -4.945 8.223 1.00 0.00 H new ATOM 1460 N LEU A 91 20.812 -11.722 7.308 1.00 0.00 N ATOM 1461 CA LEU A 91 20.816 -13.022 6.605 1.00 0.00 C ATOM 1462 C LEU A 91 20.021 -12.959 5.298 1.00 0.00 C ATOM 1463 O LEU A 91 20.261 -13.752 4.393 1.00 0.00 O ATOM 1464 CB LEU A 91 20.293 -14.160 7.531 1.00 0.00 C ATOM 1465 CG LEU A 91 21.320 -14.678 8.585 1.00 0.00 C ATOM 1466 CD1 LEU A 91 20.712 -15.771 9.489 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.598 -15.192 7.885 1.00 0.00 C ATOM 0 H LEU A 91 20.293 -11.731 8.186 1.00 0.00 H new ATOM 0 HA LEU A 91 21.849 -13.251 6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.407 -13.803 8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 91 19.979 -14.998 6.909 1.00 0.00 H new ATOM 0 HG LEU A 91 21.587 -13.839 9.228 1.00 0.00 H new ATOM 0 HD11 LEU A 91 21.459 -16.105 10.209 1.00 0.00 H new ATOM 0 HD12 LEU A 91 19.851 -15.366 10.021 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.396 -16.615 8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.304 -15.550 8.634 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.340 -16.008 7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.052 -14.381 7.316 1.00 0.00 H new ATOM 1479 N VAL A 92 19.080 -12.007 5.226 1.00 0.00 N ATOM 1480 CA VAL A 92 18.371 -11.660 3.981 1.00 0.00 C ATOM 1481 C VAL A 92 19.238 -10.649 3.192 1.00 0.00 C ATOM 1482 O VAL A 92 20.014 -9.895 3.802 1.00 0.00 O ATOM 1483 CB VAL A 92 16.943 -11.025 4.273 1.00 0.00 C ATOM 1484 CG1 VAL A 92 16.033 -11.033 3.018 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.240 -11.715 5.461 1.00 0.00 C ATOM 0 H VAL A 92 18.787 -11.453 6.031 1.00 0.00 H new ATOM 0 HA VAL A 92 18.212 -12.570 3.403 1.00 0.00 H new ATOM 0 HB VAL A 92 17.119 -9.985 4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 92 15.068 -10.590 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.505 -10.456 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.885 -12.059 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.268 -11.251 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.104 -12.773 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.851 -11.608 6.357 1.00 0.00 H new ATOM 1495 N LYS A 93 19.141 -10.649 1.848 1.00 0.00 N ATOM 1496 CA LYS A 93 19.722 -9.576 1.032 1.00 0.00 C ATOM 1497 C LYS A 93 18.958 -8.282 1.328 1.00 0.00 C ATOM 1498 O LYS A 93 17.736 -8.220 1.139 1.00 0.00 O ATOM 1499 CB LYS A 93 19.715 -9.896 -0.502 1.00 0.00 C ATOM 1500 CG LYS A 93 20.990 -10.614 -1.011 1.00 0.00 C ATOM 1501 CD LYS A 93 21.094 -10.645 -2.559 1.00 0.00 C ATOM 1502 CE LYS A 93 20.055 -11.560 -3.227 1.00 0.00 C ATOM 1503 NZ LYS A 93 20.305 -12.992 -2.926 1.00 0.00 N ATOM 0 H LYS A 93 18.668 -11.377 1.312 1.00 0.00 H new ATOM 0 HA LYS A 93 20.773 -9.470 1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.848 -10.517 -0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.592 -8.965 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.869 -10.114 -0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.000 -11.636 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.974 -9.632 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 93 22.093 -10.977 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.057 -11.286 -2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.076 -11.407 -4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.462 -13.550 -3.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.116 -13.327 -3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.512 -13.103 -1.913 1.00 0.00 H new ATOM 1517 N ARG A 94 19.705 -7.283 1.830 1.00 0.00 N ATOM 1518 CA ARG A 94 19.164 -5.973 2.224 1.00 0.00 C ATOM 1519 C ARG A 94 18.365 -5.322 1.068 1.00 0.00 C ATOM 1520 O ARG A 94 17.228 -4.928 1.303 1.00 0.00 O ATOM 1521 CB ARG A 94 20.285 -5.025 2.750 1.00 0.00 C ATOM 1522 CG ARG A 94 21.187 -5.659 3.830 1.00 0.00 C ATOM 1523 CD ARG A 94 22.228 -4.682 4.398 1.00 0.00 C ATOM 1524 NE ARG A 94 23.091 -4.091 3.360 1.00 0.00 N ATOM 1525 CZ ARG A 94 24.398 -4.332 3.205 1.00 0.00 C ATOM 1526 NH1 ARG A 94 25.036 -5.191 3.993 1.00 0.00 N ATOM 1527 NH2 ARG A 94 25.079 -3.687 2.272 1.00 0.00 N ATOM 0 H ARG A 94 20.711 -7.365 1.975 1.00 0.00 H new ATOM 0 HA ARG A 94 18.470 -6.141 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 94 20.906 -4.712 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 94 19.824 -4.125 3.158 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.563 -6.029 4.644 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.701 -6.521 3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 94 21.714 -3.883 4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 94 22.850 -5.205 5.125 1.00 0.00 H new ATOM 0 HE ARG A 94 22.655 -3.443 2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 94 24.529 -5.679 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 94 26.033 -5.362 3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 94 24.608 -3.009 1.674 1.00 0.00 H new ATOM 0 HH22 ARG A 94 26.075 -3.868 2.151 1.00 0.00 H new ATOM 1541 N PRO A 95 18.917 -5.226 -0.208 1.00 0.00 N ATOM 1542 CA PRO A 95 18.102 -4.801 -1.365 1.00 0.00 C ATOM 1543 C PRO A 95 17.076 -5.890 -1.760 1.00 0.00 C ATOM 1544 O PRO A 95 17.429 -6.938 -2.321 1.00 0.00 O ATOM 1545 CB PRO A 95 19.150 -4.551 -2.477 1.00 0.00 C ATOM 1546 CG PRO A 95 20.293 -5.452 -2.130 1.00 0.00 C ATOM 1547 CD PRO A 95 20.337 -5.485 -0.621 1.00 0.00 C ATOM 0 HA PRO A 95 17.499 -3.916 -1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.746 -4.785 -3.462 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.462 -3.507 -2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 95 20.144 -6.451 -2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 95 21.229 -5.075 -2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.690 -6.449 -0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 95 21.012 -4.726 -0.225 1.00 0.00 H new ATOM 1555 N LEU A 96 15.820 -5.641 -1.390 1.00 0.00 N ATOM 1556 CA LEU A 96 14.666 -6.492 -1.728 1.00 0.00 C ATOM 1557 C LEU A 96 13.431 -5.589 -1.861 1.00 0.00 C ATOM 1558 O LEU A 96 13.374 -4.522 -1.261 1.00 0.00 O ATOM 1559 CB LEU A 96 14.488 -7.616 -0.637 1.00 0.00 C ATOM 1560 CG LEU A 96 13.232 -8.577 -0.748 1.00 0.00 C ATOM 1561 CD1 LEU A 96 13.535 -10.002 -0.204 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.991 -8.019 -0.024 1.00 0.00 C ATOM 0 H LEU A 96 15.565 -4.825 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 96 14.818 -7.007 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 96 15.384 -8.237 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.450 -7.130 0.338 1.00 0.00 H new ATOM 0 HG LEU A 96 13.014 -8.639 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.646 -10.625 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.351 -10.444 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.821 -9.938 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.161 -8.718 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.216 -7.885 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.716 -7.059 -0.461 1.00 0.00 H new ATOM 1574 N ALA A 97 12.468 -6.004 -2.684 1.00 0.00 N ATOM 1575 CA ALA A 97 11.180 -5.328 -2.831 1.00 0.00 C ATOM 1576 C ALA A 97 10.111 -6.399 -3.012 1.00 0.00 C ATOM 1577 O ALA A 97 10.167 -7.144 -3.980 1.00 0.00 O ATOM 1578 CB ALA A 97 11.214 -4.348 -4.014 1.00 0.00 C ATOM 0 H ALA A 97 12.562 -6.830 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 97 10.953 -4.735 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.246 -3.855 -4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.988 -3.599 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.432 -4.893 -4.932 1.00 0.00 H new ATOM 1584 N VAL A 98 9.175 -6.519 -2.053 1.00 0.00 N ATOM 1585 CA VAL A 98 8.101 -7.538 -2.104 1.00 0.00 C ATOM 1586 C VAL A 98 6.721 -6.871 -1.964 1.00 0.00 C ATOM 1587 O VAL A 98 6.577 -5.852 -1.283 1.00 0.00 O ATOM 1588 CB VAL A 98 8.299 -8.663 -1.010 1.00 0.00 C ATOM 1589 CG1 VAL A 98 8.139 -8.125 0.435 1.00 0.00 C ATOM 1590 CG2 VAL A 98 7.365 -9.876 -1.272 1.00 0.00 C ATOM 0 H VAL A 98 9.138 -5.921 -1.227 1.00 0.00 H new ATOM 0 HA VAL A 98 8.156 -8.026 -3.077 1.00 0.00 H new ATOM 0 HB VAL A 98 9.329 -9.007 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.285 -8.939 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.880 -7.347 0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.139 -7.710 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.525 -10.632 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.326 -9.547 -1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.587 -10.302 -2.251 1.00 0.00 H new ATOM 1600 N MET A 99 5.728 -7.458 -2.638 1.00 0.00 N ATOM 1601 CA MET A 99 4.343 -6.966 -2.672 1.00 0.00 C ATOM 1602 C MET A 99 3.388 -8.169 -2.920 1.00 0.00 C ATOM 1603 O MET A 99 3.846 -9.325 -2.944 1.00 0.00 O ATOM 1604 CB MET A 99 4.250 -5.867 -3.783 1.00 0.00 C ATOM 1605 CG MET A 99 3.049 -4.891 -3.689 1.00 0.00 C ATOM 1606 SD MET A 99 1.712 -5.312 -4.830 1.00 0.00 S ATOM 1607 CE MET A 99 2.498 -5.037 -6.421 1.00 0.00 C ATOM 0 H MET A 99 5.865 -8.306 -3.188 1.00 0.00 H new ATOM 0 HA MET A 99 4.043 -6.513 -1.727 1.00 0.00 H new ATOM 0 HB2 MET A 99 5.169 -5.281 -3.761 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.211 -6.364 -4.752 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.664 -4.893 -2.669 1.00 0.00 H new ATOM 0 HG3 MET A 99 3.393 -3.878 -3.898 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.760 -4.664 -7.132 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.298 -4.305 -6.310 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.914 -5.975 -6.788 1.00 0.00 H new ATOM 1617 N GLY A 100 2.078 -7.891 -3.098 1.00 0.00 N ATOM 1618 CA GLY A 100 1.090 -8.915 -3.454 1.00 0.00 C ATOM 1619 C GLY A 100 1.443 -9.649 -4.748 1.00 0.00 C ATOM 1620 O GLY A 100 1.453 -9.032 -5.813 1.00 0.00 O ATOM 0 H GLY A 100 1.685 -6.955 -2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.012 -9.637 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.111 -8.448 -3.561 1.00 0.00 H new ATOM 1624 N ASP A 101 1.809 -10.946 -4.608 1.00 0.00 N ATOM 1625 CA ASP A 101 2.215 -11.882 -5.697 1.00 0.00 C ATOM 1626 C ASP A 101 3.372 -11.361 -6.597 1.00 0.00 C ATOM 1627 O ASP A 101 3.647 -11.939 -7.656 1.00 0.00 O ATOM 1628 CB ASP A 101 0.994 -12.396 -6.545 1.00 0.00 C ATOM 1629 CG ASP A 101 0.338 -11.361 -7.485 1.00 0.00 C ATOM 1630 OD1 ASP A 101 0.805 -11.192 -8.632 1.00 0.00 O ATOM 1631 OD2 ASP A 101 -0.675 -10.739 -7.099 1.00 0.00 O ATOM 0 H ASP A 101 1.832 -11.394 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 101 2.628 -12.743 -5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.325 -13.244 -7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.233 -12.769 -5.860 1.00 0.00 H new ATOM 1636 N LYS A 102 4.099 -10.320 -6.127 1.00 0.00 N ATOM 1637 CA LYS A 102 5.201 -9.670 -6.881 1.00 0.00 C ATOM 1638 C LYS A 102 6.441 -9.516 -5.982 1.00 0.00 C ATOM 1639 O LYS A 102 6.292 -9.269 -4.788 1.00 0.00 O ATOM 1640 CB LYS A 102 4.751 -8.273 -7.380 1.00 0.00 C ATOM 1641 CG LYS A 102 3.587 -8.258 -8.391 1.00 0.00 C ATOM 1642 CD LYS A 102 3.876 -9.095 -9.658 1.00 0.00 C ATOM 1643 CE LYS A 102 2.875 -8.817 -10.787 1.00 0.00 C ATOM 1644 NZ LYS A 102 1.458 -8.928 -10.346 1.00 0.00 N ATOM 0 H LYS A 102 3.938 -9.904 -5.210 1.00 0.00 H new ATOM 0 HA LYS A 102 5.453 -10.296 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.462 -7.676 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.609 -7.779 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.688 -8.640 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.379 -7.228 -8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.885 -8.879 -10.010 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.847 -10.155 -9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.050 -7.816 -11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.052 -9.517 -11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.843 -9.035 -11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.351 -9.757 -9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.188 -8.070 -9.825 1.00 0.00 H new ATOM 1658 N ILE A 103 7.661 -9.653 -6.560 1.00 0.00 N ATOM 1659 CA ILE A 103 8.932 -9.495 -5.802 1.00 0.00 C ATOM 1660 C ILE A 103 10.146 -9.321 -6.759 1.00 0.00 C ATOM 1661 O ILE A 103 10.134 -9.820 -7.891 1.00 0.00 O ATOM 1662 CB ILE A 103 9.180 -10.718 -4.824 1.00 0.00 C ATOM 1663 CG1 ILE A 103 10.385 -10.458 -3.847 1.00 0.00 C ATOM 1664 CG2 ILE A 103 9.374 -12.036 -5.618 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.578 -11.506 -2.758 1.00 0.00 C ATOM 0 H ILE A 103 7.793 -9.872 -7.547 1.00 0.00 H new ATOM 0 HA ILE A 103 8.834 -8.590 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 103 8.287 -10.823 -4.207 1.00 0.00 H new ATOM 0 HG12 ILE A 103 11.301 -10.396 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.244 -9.487 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.542 -12.858 -4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.482 -12.239 -6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.235 -11.939 -6.280 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.433 -11.234 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.683 -11.556 -2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.756 -12.479 -3.217 1.00 0.00 H new ATOM 1677 N THR A 104 11.177 -8.585 -6.287 1.00 0.00 N ATOM 1678 CA THR A 104 12.474 -8.399 -6.977 1.00 0.00 C ATOM 1679 C THR A 104 13.614 -8.412 -5.928 1.00 0.00 C ATOM 1680 O THR A 104 13.471 -7.811 -4.854 1.00 0.00 O ATOM 1681 CB THR A 104 12.525 -7.042 -7.771 1.00 0.00 C ATOM 1682 OG1 THR A 104 12.170 -5.950 -6.904 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.596 -7.034 -9.000 1.00 0.00 C ATOM 0 H THR A 104 11.130 -8.092 -5.395 1.00 0.00 H new ATOM 0 HA THR A 104 12.594 -9.214 -7.691 1.00 0.00 H new ATOM 0 HB THR A 104 13.548 -6.928 -8.130 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.853 -5.849 -6.208 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.673 -6.073 -9.508 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.890 -7.831 -9.684 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.567 -7.193 -8.679 1.00 0.00 H new ATOM 1691 N LEU A 105 14.733 -9.108 -6.234 1.00 0.00 N ATOM 1692 CA LEU A 105 15.936 -9.160 -5.352 1.00 0.00 C ATOM 1693 C LEU A 105 17.102 -8.387 -5.986 1.00 0.00 C ATOM 1694 O LEU A 105 17.440 -8.616 -7.152 1.00 0.00 O ATOM 1695 CB LEU A 105 16.365 -10.638 -5.045 1.00 0.00 C ATOM 1696 CG LEU A 105 15.774 -11.269 -3.748 1.00 0.00 C ATOM 1697 CD1 LEU A 105 16.303 -10.549 -2.486 1.00 0.00 C ATOM 1698 CD2 LEU A 105 14.231 -11.291 -3.790 1.00 0.00 C ATOM 0 H LEU A 105 14.834 -9.649 -7.093 1.00 0.00 H new ATOM 0 HA LEU A 105 15.671 -8.688 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 105 16.077 -11.261 -5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 105 17.452 -10.673 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 105 16.111 -12.304 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.874 -11.011 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 105 17.389 -10.631 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 105 16.019 -9.497 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.848 -11.737 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.855 -10.272 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.899 -11.880 -4.645 1.00 0.00 H new ATOM 1710 N GLY A 106 17.724 -7.506 -5.183 1.00 0.00 N ATOM 1711 CA GLY A 106 18.825 -6.652 -5.636 1.00 0.00 C ATOM 1712 C GLY A 106 18.377 -5.552 -6.591 1.00 0.00 C ATOM 1713 O GLY A 106 17.171 -5.399 -6.852 1.00 0.00 O ATOM 0 H GLY A 106 17.474 -7.370 -4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.305 -6.198 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.576 -7.269 -6.129 1.00 0.00 H new ATOM 1717 N PHE A 107 19.342 -4.763 -7.106 1.00 0.00 N ATOM 1718 CA PHE A 107 19.057 -3.772 -8.153 1.00 0.00 C ATOM 1719 C PHE A 107 18.913 -4.503 -9.498 1.00 0.00 C ATOM 1720 O PHE A 107 19.900 -4.852 -10.150 1.00 0.00 O ATOM 1721 CB PHE A 107 20.140 -2.657 -8.236 1.00 0.00 C ATOM 1722 CG PHE A 107 19.828 -1.583 -9.293 1.00 0.00 C ATOM 1723 CD1 PHE A 107 18.713 -0.752 -9.155 1.00 0.00 C ATOM 1724 CD2 PHE A 107 20.628 -1.420 -10.422 1.00 0.00 C ATOM 1725 CE1 PHE A 107 18.414 0.203 -10.113 1.00 0.00 C ATOM 1726 CE2 PHE A 107 20.330 -0.461 -11.373 1.00 0.00 C ATOM 1727 CZ PHE A 107 19.224 0.349 -11.219 1.00 0.00 C ATOM 0 H PHE A 107 20.319 -4.795 -6.813 1.00 0.00 H new ATOM 0 HA PHE A 107 18.126 -3.265 -7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 107 20.236 -2.180 -7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 107 21.104 -3.112 -8.464 1.00 0.00 H new ATOM 0 HD1 PHE A 107 18.075 -0.856 -8.289 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.494 -2.052 -10.557 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.546 0.834 -9.993 1.00 0.00 H new ATOM 0 HE2 PHE A 107 20.965 -0.346 -12.239 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.993 1.096 -11.964 1.00 0.00 H new ATOM 1737 N LYS A 108 17.665 -4.801 -9.854 1.00 0.00 N ATOM 1738 CA LYS A 108 17.309 -5.413 -11.139 1.00 0.00 C ATOM 1739 C LYS A 108 16.342 -4.474 -11.853 1.00 0.00 C ATOM 1740 O LYS A 108 15.134 -4.595 -11.685 1.00 0.00 O ATOM 1741 CB LYS A 108 16.655 -6.805 -10.922 1.00 0.00 C ATOM 1742 CG LYS A 108 17.555 -7.874 -10.274 1.00 0.00 C ATOM 1743 CD LYS A 108 18.707 -8.313 -11.201 1.00 0.00 C ATOM 1744 CE LYS A 108 19.540 -9.461 -10.609 1.00 0.00 C ATOM 1745 NZ LYS A 108 20.562 -9.962 -11.570 1.00 0.00 N ATOM 0 H LYS A 108 16.860 -4.623 -9.253 1.00 0.00 H new ATOM 0 HA LYS A 108 18.204 -5.563 -11.742 1.00 0.00 H new ATOM 0 HB2 LYS A 108 15.770 -6.677 -10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 108 16.314 -7.180 -11.887 1.00 0.00 H new ATOM 0 HG2 LYS A 108 17.969 -7.482 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 108 16.952 -8.743 -10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 108 18.296 -8.625 -12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 108 19.357 -7.460 -11.395 1.00 0.00 H new ATOM 0 HE2 LYS A 108 20.034 -9.119 -9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 108 18.879 -10.279 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 21.102 -10.735 -11.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 20.090 -10.313 -12.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 21.209 -9.188 -11.823 1.00 0.00 H new ATOM 1759 N GLU A 109 16.888 -3.517 -12.617 1.00 0.00 N ATOM 1760 CA GLU A 109 16.091 -2.497 -13.327 1.00 0.00 C ATOM 1761 C GLU A 109 15.163 -3.153 -14.382 1.00 0.00 C ATOM 1762 O GLU A 109 14.021 -2.714 -14.594 1.00 0.00 O ATOM 1763 CB GLU A 109 17.038 -1.448 -13.965 1.00 0.00 C ATOM 1764 CG GLU A 109 16.326 -0.214 -14.539 1.00 0.00 C ATOM 1765 CD GLU A 109 17.257 0.846 -15.139 1.00 0.00 C ATOM 1766 OE1 GLU A 109 17.613 0.724 -16.331 1.00 0.00 O ATOM 1767 OE2 GLU A 109 17.629 1.810 -14.430 1.00 0.00 O ATOM 0 H GLU A 109 17.893 -3.425 -12.762 1.00 0.00 H new ATOM 0 HA GLU A 109 15.446 -1.986 -12.613 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.756 -1.121 -13.213 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.607 -1.927 -14.762 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.627 -0.541 -15.309 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.735 0.248 -13.748 1.00 0.00 H new ATOM 1774 N ASP A 110 15.665 -4.243 -14.988 1.00 0.00 N ATOM 1775 CA ASP A 110 14.905 -5.079 -15.937 1.00 0.00 C ATOM 1776 C ASP A 110 13.709 -5.756 -15.235 1.00 0.00 C ATOM 1777 O ASP A 110 12.590 -5.752 -15.753 1.00 0.00 O ATOM 1778 CB ASP A 110 15.839 -6.148 -16.561 1.00 0.00 C ATOM 1779 CG ASP A 110 15.125 -7.111 -17.528 1.00 0.00 C ATOM 1780 OD1 ASP A 110 14.773 -6.689 -18.649 1.00 0.00 O ATOM 1781 OD2 ASP A 110 14.900 -8.286 -17.165 1.00 0.00 O ATOM 0 H ASP A 110 16.618 -4.572 -14.832 1.00 0.00 H new ATOM 0 HA ASP A 110 14.515 -4.440 -16.729 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.646 -5.645 -17.094 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.299 -6.727 -15.760 1.00 0.00 H new ATOM 1786 N GLN A 111 13.958 -6.334 -14.049 1.00 0.00 N ATOM 1787 CA GLN A 111 12.904 -6.959 -13.239 1.00 0.00 C ATOM 1788 C GLN A 111 11.988 -5.909 -12.584 1.00 0.00 C ATOM 1789 O GLN A 111 10.866 -6.226 -12.238 1.00 0.00 O ATOM 1790 CB GLN A 111 13.523 -7.903 -12.189 1.00 0.00 C ATOM 1791 CG GLN A 111 14.283 -9.095 -12.799 1.00 0.00 C ATOM 1792 CD GLN A 111 13.361 -10.102 -13.491 1.00 0.00 C ATOM 1793 OE1 GLN A 111 13.068 -9.984 -14.681 1.00 0.00 O ATOM 1794 NE2 GLN A 111 12.887 -11.089 -12.742 1.00 0.00 N ATOM 0 H GLN A 111 14.886 -6.381 -13.629 1.00 0.00 H new ATOM 0 HA GLN A 111 12.276 -7.552 -13.904 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.205 -7.333 -11.558 1.00 0.00 H new ATOM 0 HB3 GLN A 111 12.732 -8.281 -11.542 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.012 -8.724 -13.519 1.00 0.00 H new ATOM 0 HG3 GLN A 111 14.842 -9.603 -12.013 1.00 0.00 H new ATOM 0 HE21 GLN A 111 13.151 -11.156 -11.759 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.258 -11.781 -13.149 1.00 0.00 H new ATOM 1803 N TYR A 112 12.462 -4.657 -12.439 1.00 0.00 N ATOM 1804 CA TYR A 112 11.632 -3.554 -11.916 1.00 0.00 C ATOM 1805 C TYR A 112 10.572 -3.164 -12.956 1.00 0.00 C ATOM 1806 O TYR A 112 9.415 -2.929 -12.606 1.00 0.00 O ATOM 1807 CB TYR A 112 12.477 -2.308 -11.512 1.00 0.00 C ATOM 1808 CG TYR A 112 13.393 -2.462 -10.278 1.00 0.00 C ATOM 1809 CD1 TYR A 112 13.172 -3.440 -9.298 1.00 0.00 C ATOM 1810 CD2 TYR A 112 14.480 -1.604 -10.090 1.00 0.00 C ATOM 1811 CE1 TYR A 112 13.998 -3.548 -8.191 1.00 0.00 C ATOM 1812 CE2 TYR A 112 15.302 -1.717 -8.988 1.00 0.00 C ATOM 1813 CZ TYR A 112 15.061 -2.686 -8.045 1.00 0.00 C ATOM 1814 OH TYR A 112 15.885 -2.782 -6.944 1.00 0.00 O ATOM 0 H TYR A 112 13.416 -4.384 -12.677 1.00 0.00 H new ATOM 0 HA TYR A 112 11.146 -3.913 -11.009 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.097 -2.027 -12.363 1.00 0.00 H new ATOM 0 HB3 TYR A 112 11.794 -1.479 -11.327 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.342 -4.122 -9.408 1.00 0.00 H new ATOM 0 HD2 TYR A 112 14.681 -0.836 -10.823 1.00 0.00 H new ATOM 0 HE1 TYR A 112 13.808 -4.306 -7.445 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.137 -1.042 -8.867 1.00 0.00 H new ATOM 0 HH TYR A 112 16.258 -3.687 -6.892 1.00 0.00 H new ATOM 1824 N LYS A 113 10.968 -3.116 -14.248 1.00 0.00 N ATOM 1825 CA LYS A 113 10.024 -2.814 -15.344 1.00 0.00 C ATOM 1826 C LYS A 113 9.115 -4.023 -15.637 1.00 0.00 C ATOM 1827 O LYS A 113 7.980 -3.860 -16.098 1.00 0.00 O ATOM 1828 CB LYS A 113 10.776 -2.292 -16.616 1.00 0.00 C ATOM 1829 CG LYS A 113 11.587 -3.322 -17.458 1.00 0.00 C ATOM 1830 CD LYS A 113 10.746 -4.033 -18.555 1.00 0.00 C ATOM 1831 CE LYS A 113 11.552 -5.053 -19.384 1.00 0.00 C ATOM 1832 NZ LYS A 113 11.964 -6.243 -18.594 1.00 0.00 N ATOM 0 H LYS A 113 11.927 -3.281 -14.554 1.00 0.00 H new ATOM 0 HA LYS A 113 9.370 -2.003 -15.022 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.040 -1.829 -17.273 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.461 -1.505 -16.300 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.426 -2.811 -17.930 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.006 -4.074 -16.790 1.00 0.00 H new ATOM 0 HD2 LYS A 113 9.906 -4.543 -18.084 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.328 -3.282 -19.225 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.952 -5.377 -20.234 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.440 -4.566 -19.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.927 -6.525 -18.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.946 -6.010 -17.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.308 -7.028 -18.781 1.00 0.00 H new ATOM 1846 N GLU A 114 9.637 -5.230 -15.352 1.00 0.00 N ATOM 1847 CA GLU A 114 8.920 -6.494 -15.586 1.00 0.00 C ATOM 1848 C GLU A 114 7.844 -6.741 -14.499 1.00 0.00 C ATOM 1849 O GLU A 114 6.741 -7.212 -14.797 1.00 0.00 O ATOM 1850 CB GLU A 114 9.947 -7.662 -15.611 1.00 0.00 C ATOM 1851 CG GLU A 114 9.444 -8.971 -16.253 1.00 0.00 C ATOM 1852 CD GLU A 114 9.086 -8.811 -17.743 1.00 0.00 C ATOM 1853 OE1 GLU A 114 9.995 -8.499 -18.548 1.00 0.00 O ATOM 1854 OE2 GLU A 114 7.903 -8.989 -18.115 1.00 0.00 O ATOM 0 H GLU A 114 10.567 -5.355 -14.953 1.00 0.00 H new ATOM 0 HA GLU A 114 8.406 -6.435 -16.545 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.835 -7.331 -16.149 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.255 -7.874 -14.587 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.211 -9.738 -16.150 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.567 -9.322 -15.710 1.00 0.00 H new ATOM 1861 N THR A 115 8.185 -6.411 -13.238 1.00 0.00 N ATOM 1862 CA THR A 115 7.371 -6.765 -12.050 1.00 0.00 C ATOM 1863 C THR A 115 6.522 -5.575 -11.543 1.00 0.00 C ATOM 1864 O THR A 115 5.335 -5.749 -11.234 1.00 0.00 O ATOM 1865 CB THR A 115 8.305 -7.299 -10.907 1.00 0.00 C ATOM 1866 OG1 THR A 115 9.091 -8.392 -11.409 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.540 -7.763 -9.658 1.00 0.00 C ATOM 0 H THR A 115 9.032 -5.891 -13.010 1.00 0.00 H new ATOM 0 HA THR A 115 6.673 -7.547 -12.349 1.00 0.00 H new ATOM 0 HB THR A 115 8.936 -6.464 -10.601 1.00 0.00 H new ATOM 0 HG1 THR A 115 9.895 -8.043 -11.847 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.248 -8.119 -8.909 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.969 -6.929 -9.250 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.859 -8.571 -9.927 1.00 0.00 H new ATOM 1875 N TRP A 116 7.128 -4.373 -11.446 1.00 0.00 N ATOM 1876 CA TRP A 116 6.481 -3.194 -10.806 1.00 0.00 C ATOM 1877 C TRP A 116 5.823 -2.263 -11.835 1.00 0.00 C ATOM 1878 O TRP A 116 4.700 -1.788 -11.624 1.00 0.00 O ATOM 1879 CB TRP A 116 7.506 -2.385 -9.960 1.00 0.00 C ATOM 1880 CG TRP A 116 8.304 -3.225 -8.987 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.661 -3.296 -8.885 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.790 -4.121 -7.988 1.00 0.00 C ATOM 1883 NE1 TRP A 116 10.019 -4.177 -7.901 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.889 -4.694 -7.340 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.505 -4.492 -7.585 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.747 -5.613 -6.314 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.368 -5.402 -6.567 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.483 -5.957 -5.940 1.00 0.00 C ATOM 0 H TRP A 116 8.066 -4.187 -11.801 1.00 0.00 H new ATOM 0 HA TRP A 116 5.701 -3.587 -10.154 1.00 0.00 H new ATOM 0 HB2 TRP A 116 8.195 -1.876 -10.634 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.974 -1.613 -9.405 1.00 0.00 H new ATOM 0 HD1 TRP A 116 10.355 -2.736 -9.494 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.975 -4.409 -7.631 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.635 -4.070 -8.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.610 -6.043 -5.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.379 -5.694 -6.246 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.342 -6.673 -5.143 1.00 0.00 H new ATOM 1899 N LEU A 117 6.539 -1.990 -12.943 1.00 0.00 N ATOM 1900 CA LEU A 117 6.110 -0.983 -13.945 1.00 0.00 C ATOM 1901 C LEU A 117 5.216 -1.624 -15.026 1.00 0.00 C ATOM 1902 O LEU A 117 4.812 -2.781 -14.879 1.00 0.00 O ATOM 1903 CB LEU A 117 7.346 -0.305 -14.590 1.00 0.00 C ATOM 1904 CG LEU A 117 8.488 0.155 -13.628 1.00 0.00 C ATOM 1905 CD1 LEU A 117 9.587 0.884 -14.408 1.00 0.00 C ATOM 1906 CD2 LEU A 117 7.968 1.008 -12.460 1.00 0.00 C ATOM 0 H LEU A 117 7.420 -2.452 -13.171 1.00 0.00 H new ATOM 0 HA LEU A 117 5.522 -0.221 -13.433 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.773 -0.999 -15.314 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.002 0.566 -15.147 1.00 0.00 H new ATOM 0 HG LEU A 117 8.917 -0.743 -13.183 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.374 1.197 -13.722 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.006 0.214 -15.159 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.164 1.760 -14.899 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.803 1.300 -11.823 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.480 1.901 -12.851 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.252 0.429 -11.877 1.00 0.00 H new ATOM 1918 N ALA A 118 4.918 -0.836 -16.092 1.00 0.00 N ATOM 1919 CA ALA A 118 4.036 -1.221 -17.213 1.00 0.00 C ATOM 1920 C ALA A 118 2.550 -1.237 -16.747 1.00 0.00 C ATOM 1921 O ALA A 118 2.066 -2.282 -16.255 1.00 0.00 O ATOM 1922 CB ALA A 118 4.469 -2.549 -17.884 1.00 0.00 C ATOM 1923 OXT ALA A 118 1.890 -0.176 -16.837 1.00 0.00 O ATOM 0 H ALA A 118 5.296 0.106 -16.193 1.00 0.00 H new ATOM 0 HA ALA A 118 4.133 -0.465 -17.992 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.786 -2.784 -18.701 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.481 -2.446 -18.275 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.445 -3.353 -17.149 1.00 0.00 H new TER 1929 ALA A 118