USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 934 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 46 TYR OH : rot 180:sc= 0.863 USER MOD Set 1.2: A 88 ASN : amide:sc= -3.6! C(o=-2.7!,f=-5!) USER MOD Set 2.1: A 1 LYS NZ :NH3+ -150:sc=-0.00399 (180deg=-0.925) USER MOD Set 2.2: A 5 THR OG1 : rot -142:sc= 0.847 USER MOD Set 3.1: A 3 LYS NZ :NH3+ 140:sc= -3.34! (180deg=-0.858) USER MOD Set 3.2: A 38 GLN : amide:sc= -3.55! C(o=-6.9!,f=-3.6!) USER MOD Single : A 1 LYS N :NH3+ -111:sc= 0.0993 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= -0.0745 (180deg=-0.664) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.85!) USER MOD Single : A 14 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.0052) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= 0.0995 (180deg=-0.133) USER MOD Single : A 28 SER OG : rot 87:sc= 0.666 USER MOD Single : A 29 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.052) USER MOD Single : A 31 MET CE :methyl 178:sc= 0 (180deg=-0.00978) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.016) USER MOD Single : A 39 CYS SG : rot 24:sc= 0.22 USER MOD Single : A 44 ASN : amide:sc= -5.23! C(o=-5.2!,f=-9!) USER MOD Single : A 45 ASN : amide:sc= -1.46! C(o=-1.5!,f=-3.3!) USER MOD Single : A 48 ASN : amide:sc= -3 K(o=-3,f=-1.6) USER MOD Single : A 53 THR OG1 : rot -68:sc= 1.12 USER MOD Single : A 57 SER OG : rot 180:sc= -0.859 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.47! K(o=-2.5!,f=-0.29) USER MOD Single : A 67 LYS NZ :NH3+ -111:sc= -3.46 (180deg=-6.1!) USER MOD Single : A 68 TYR OH : rot -104:sc= 0.0799 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.952 X(o=-0.95,f=-1) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -91:sc= 0.271 USER MOD Single : A 80 LYS NZ :NH3+ -111:sc= -3.67! (180deg=-4.51!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -4.02! K(o=-4!,f=-0.57) USER MOD Single : A 86 SER OG : rot 160:sc= -0.679 USER MOD Single : A 89 ASN : amide:sc= -5.59! C(o=-5.6!,f=-6.2!) USER MOD Single : A 92 ASN : amide:sc= -0.961 K(o=-0.96,f=-3.4!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -1.39! C(o=-1.4!,f=-4.4!) USER MOD Single : A 103 LYS NZ :NH3+ -155:sc= -0.0408 (180deg=-0.546) USER MOD Single : A 104 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-5.8!) USER MOD Single : A 105 GLN : amide:sc= -3.91! C(o=-3.9!,f=-3.7!) USER MOD Single : A 106 LYS NZ :NH3+ -163:sc= -0.0137 (180deg=-0.285) USER MOD Single : A 107 SER OG : rot 59:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.570 9.521 0.322 1.00 0.00 N ATOM 2 CA LYS A 1 -1.657 8.610 0.781 1.00 0.00 C ATOM 3 C LYS A 1 -2.696 8.460 -0.331 1.00 0.00 C ATOM 4 O LYS A 1 -2.734 9.233 -1.268 1.00 0.00 O ATOM 5 CB LYS A 1 -2.321 9.199 2.030 1.00 0.00 C ATOM 6 CG LYS A 1 -3.372 8.221 2.577 1.00 0.00 C ATOM 7 CD LYS A 1 -3.745 8.605 4.015 1.00 0.00 C ATOM 8 CE LYS A 1 -4.368 10.005 4.040 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.045 10.222 5.349 1.00 0.00 N ATOM 0 H1 LYS A 1 0.307 8.977 0.190 1.00 0.00 H new ATOM 0 H2 LYS A 1 -0.843 9.961 -0.580 1.00 0.00 H new ATOM 0 H3 LYS A 1 -0.414 10.262 1.035 1.00 0.00 H new ATOM 0 HA LYS A 1 -1.239 7.632 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -1.568 9.400 2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -2.791 10.152 1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.260 8.237 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -2.982 7.203 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.447 7.878 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -2.858 8.582 4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.598 10.761 3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.085 10.111 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.849 10.869 5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.389 9.312 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.371 10.636 6.024 1.00 0.00 H new ATOM 25 N VAL A 2 -3.542 7.469 -0.235 1.00 0.00 N ATOM 26 CA VAL A 2 -4.580 7.266 -1.285 1.00 0.00 C ATOM 27 C VAL A 2 -5.704 8.290 -1.086 1.00 0.00 C ATOM 28 O VAL A 2 -5.741 8.998 -0.100 1.00 0.00 O ATOM 29 CB VAL A 2 -5.126 5.835 -1.169 1.00 0.00 C ATOM 30 CG1 VAL A 2 -5.896 5.676 0.146 1.00 0.00 C ATOM 31 CG2 VAL A 2 -6.054 5.523 -2.353 1.00 0.00 C ATOM 0 H VAL A 2 -3.558 6.791 0.527 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.152 7.405 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.288 5.138 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.280 4.659 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.229 5.875 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.727 6.381 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.434 4.506 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.889 6.224 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.498 5.618 -3.286 1.00 0.00 H new ATOM 41 N LYS A 3 -6.617 8.378 -2.014 1.00 0.00 N ATOM 42 CA LYS A 3 -7.732 9.359 -1.881 1.00 0.00 C ATOM 43 C LYS A 3 -8.387 9.224 -0.504 1.00 0.00 C ATOM 44 O LYS A 3 -8.574 10.198 0.199 1.00 0.00 O ATOM 45 CB LYS A 3 -8.776 9.096 -2.969 1.00 0.00 C ATOM 46 CG LYS A 3 -8.183 9.426 -4.340 1.00 0.00 C ATOM 47 CD LYS A 3 -9.278 9.337 -5.405 1.00 0.00 C ATOM 48 CE LYS A 3 -8.701 9.735 -6.765 1.00 0.00 C ATOM 49 NZ LYS A 3 -7.454 8.960 -7.021 1.00 0.00 N ATOM 0 H LYS A 3 -6.639 7.811 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.334 10.368 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.092 8.053 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.664 9.703 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.751 10.427 -4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.375 8.733 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.675 8.323 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.108 9.993 -5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.430 9.542 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.488 10.804 -6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.424 8.671 -8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.627 9.553 -6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.440 8.115 -6.415 1.00 0.00 H new ATOM 63 N PHE A 4 -8.741 8.027 -0.108 1.00 0.00 N ATOM 64 CA PHE A 4 -9.386 7.846 1.229 1.00 0.00 C ATOM 65 C PHE A 4 -8.312 7.789 2.319 1.00 0.00 C ATOM 66 O PHE A 4 -7.150 7.550 2.053 1.00 0.00 O ATOM 67 CB PHE A 4 -10.238 6.568 1.253 1.00 0.00 C ATOM 68 CG PHE A 4 -9.516 5.414 0.598 1.00 0.00 C ATOM 69 CD1 PHE A 4 -9.442 5.358 -0.792 1.00 0.00 C ATOM 70 CD2 PHE A 4 -8.951 4.388 1.374 1.00 0.00 C ATOM 71 CE1 PHE A 4 -8.809 4.283 -1.422 1.00 0.00 C ATOM 72 CE2 PHE A 4 -8.310 3.312 0.745 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.242 3.260 -0.657 1.00 0.00 C ATOM 0 H PHE A 4 -8.612 7.172 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.042 8.695 1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.481 6.310 2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -11.182 6.748 0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.876 6.149 -1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.010 4.428 2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.758 4.243 -2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.869 2.524 1.337 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.752 2.430 -1.144 1.00 0.00 H new ATOM 83 N THR A 5 -8.696 8.028 3.547 1.00 0.00 N ATOM 84 CA THR A 5 -7.709 8.012 4.668 1.00 0.00 C ATOM 85 C THR A 5 -7.469 6.587 5.140 1.00 0.00 C ATOM 86 O THR A 5 -8.249 5.689 4.893 1.00 0.00 O ATOM 87 CB THR A 5 -8.224 8.843 5.841 1.00 0.00 C ATOM 88 OG1 THR A 5 -7.365 8.658 6.959 1.00 0.00 O ATOM 89 CG2 THR A 5 -9.637 8.399 6.207 1.00 0.00 C ATOM 0 H THR A 5 -9.656 8.235 3.822 1.00 0.00 H new ATOM 0 HA THR A 5 -6.774 8.438 4.303 1.00 0.00 H new ATOM 0 HB THR A 5 -8.241 9.896 5.560 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.898 8.635 7.781 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.000 8.995 7.044 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.296 8.538 5.350 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.626 7.346 6.489 1.00 0.00 H new ATOM 97 N GLU A 6 -6.386 6.384 5.823 1.00 0.00 N ATOM 98 CA GLU A 6 -6.055 5.026 6.336 1.00 0.00 C ATOM 99 C GLU A 6 -7.263 4.444 7.075 1.00 0.00 C ATOM 100 O GLU A 6 -7.621 3.304 6.888 1.00 0.00 O ATOM 101 CB GLU A 6 -4.868 5.119 7.296 1.00 0.00 C ATOM 102 CG GLU A 6 -3.736 5.907 6.635 1.00 0.00 C ATOM 103 CD GLU A 6 -2.472 5.803 7.491 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.054 4.689 7.761 1.00 0.00 O ATOM 105 OE2 GLU A 6 -1.944 6.838 7.860 1.00 0.00 O ATOM 0 H GLU A 6 -5.705 7.107 6.053 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.798 4.378 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.173 5.607 8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.523 4.120 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.544 5.518 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.025 6.952 6.520 1.00 0.00 H new ATOM 112 N GLU A 7 -7.898 5.221 7.910 1.00 0.00 N ATOM 113 CA GLU A 7 -9.083 4.706 8.660 1.00 0.00 C ATOM 114 C GLU A 7 -10.056 4.026 7.688 1.00 0.00 C ATOM 115 O GLU A 7 -10.681 3.029 8.008 1.00 0.00 O ATOM 116 CB GLU A 7 -9.793 5.872 9.356 1.00 0.00 C ATOM 117 CG GLU A 7 -8.932 6.384 10.513 1.00 0.00 C ATOM 118 CD GLU A 7 -7.640 6.991 9.962 1.00 0.00 C ATOM 119 OE1 GLU A 7 -7.718 8.040 9.344 1.00 0.00 O ATOM 120 OE2 GLU A 7 -6.595 6.397 10.167 1.00 0.00 O ATOM 0 H GLU A 7 -7.649 6.190 8.106 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.751 3.982 9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.977 6.676 8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.765 5.548 9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.481 7.131 11.086 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.699 5.567 11.196 1.00 0.00 H new ATOM 127 N GLU A 8 -10.183 4.544 6.497 1.00 0.00 N ATOM 128 CA GLU A 8 -11.105 3.916 5.518 1.00 0.00 C ATOM 129 C GLU A 8 -10.472 2.600 5.053 1.00 0.00 C ATOM 130 O GLU A 8 -11.135 1.589 4.945 1.00 0.00 O ATOM 131 CB GLU A 8 -11.319 4.894 4.339 1.00 0.00 C ATOM 132 CG GLU A 8 -12.728 5.509 4.394 1.00 0.00 C ATOM 133 CD GLU A 8 -12.897 6.517 3.254 1.00 0.00 C ATOM 134 OE1 GLU A 8 -13.210 6.091 2.155 1.00 0.00 O ATOM 135 OE2 GLU A 8 -12.709 7.697 3.501 1.00 0.00 O ATOM 0 H GLU A 8 -9.689 5.372 6.163 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.078 3.702 5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.570 5.685 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.183 4.368 3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.481 4.725 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.883 6.002 5.354 1.00 0.00 H new ATOM 142 N ASP A 9 -9.183 2.604 4.807 1.00 0.00 N ATOM 143 CA ASP A 9 -8.486 1.349 4.378 1.00 0.00 C ATOM 144 C ASP A 9 -8.922 0.203 5.298 1.00 0.00 C ATOM 145 O ASP A 9 -9.010 -0.946 4.900 1.00 0.00 O ATOM 146 CB ASP A 9 -6.971 1.553 4.497 1.00 0.00 C ATOM 147 CG ASP A 9 -6.237 0.371 3.872 1.00 0.00 C ATOM 148 OD1 ASP A 9 -6.246 -0.688 4.473 1.00 0.00 O ATOM 149 OD2 ASP A 9 -5.668 0.549 2.809 1.00 0.00 O ATOM 0 H ASP A 9 -8.582 3.425 4.885 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.741 1.110 3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.680 2.478 3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.690 1.653 5.545 1.00 0.00 H new ATOM 154 N LEU A 10 -9.225 0.527 6.525 1.00 0.00 N ATOM 155 CA LEU A 10 -9.685 -0.513 7.482 1.00 0.00 C ATOM 156 C LEU A 10 -11.131 -0.861 7.124 1.00 0.00 C ATOM 157 O LEU A 10 -11.547 -2.000 7.170 1.00 0.00 O ATOM 158 CB LEU A 10 -9.610 0.027 8.931 1.00 0.00 C ATOM 159 CG LEU A 10 -8.436 1.000 9.074 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.344 1.478 10.523 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.128 0.303 8.680 1.00 0.00 C ATOM 0 H LEU A 10 -9.173 1.472 6.905 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.052 -1.398 7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.542 0.530 9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.492 -0.801 9.630 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.597 1.855 8.417 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.509 2.171 10.625 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.270 1.983 10.799 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.188 0.622 11.179 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.298 1.002 8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.963 -0.556 9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.192 -0.032 7.645 1.00 0.00 H new ATOM 173 N LYS A 11 -11.897 0.125 6.750 1.00 0.00 N ATOM 174 CA LYS A 11 -13.308 -0.145 6.373 1.00 0.00 C ATOM 175 C LYS A 11 -13.325 -1.034 5.129 1.00 0.00 C ATOM 176 O LYS A 11 -14.302 -1.695 4.842 1.00 0.00 O ATOM 177 CB LYS A 11 -14.022 1.176 6.079 1.00 0.00 C ATOM 178 CG LYS A 11 -14.061 2.029 7.348 1.00 0.00 C ATOM 179 CD LYS A 11 -14.873 3.298 7.087 1.00 0.00 C ATOM 180 CE LYS A 11 -14.943 4.133 8.367 1.00 0.00 C ATOM 181 NZ LYS A 11 -15.621 3.347 9.436 1.00 0.00 N ATOM 0 H LYS A 11 -11.607 1.101 6.690 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.822 -0.650 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.504 1.712 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.035 0.983 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.506 1.462 8.166 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.048 2.290 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.413 3.878 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.878 3.037 6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.939 4.412 8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.487 5.059 8.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.001 3.995 10.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.399 2.795 9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.937 2.701 9.879 1.00 0.00 H new ATOM 195 N LEU A 12 -12.246 -1.059 4.386 1.00 0.00 N ATOM 196 CA LEU A 12 -12.204 -1.910 3.165 1.00 0.00 C ATOM 197 C LEU A 12 -12.014 -3.370 3.577 1.00 0.00 C ATOM 198 O LEU A 12 -12.749 -4.227 3.158 1.00 0.00 O ATOM 199 CB LEU A 12 -11.035 -1.467 2.258 1.00 0.00 C ATOM 200 CG LEU A 12 -11.483 -0.367 1.288 1.00 0.00 C ATOM 201 CD1 LEU A 12 -11.848 0.893 2.069 1.00 0.00 C ATOM 202 CD2 LEU A 12 -10.337 -0.053 0.328 1.00 0.00 C ATOM 0 H LEU A 12 -11.396 -0.527 4.575 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.139 -1.804 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.211 -1.103 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.661 -2.323 1.696 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.354 -0.707 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.166 1.672 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.660 0.670 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.979 1.238 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.647 0.729 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.471 0.288 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.074 -0.951 -0.231 1.00 0.00 H new ATOM 214 N GLN A 13 -11.036 -3.680 4.384 1.00 0.00 N ATOM 215 CA GLN A 13 -10.854 -5.116 4.754 1.00 0.00 C ATOM 216 C GLN A 13 -12.182 -5.679 5.296 1.00 0.00 C ATOM 217 O GLN A 13 -12.522 -6.819 5.054 1.00 0.00 O ATOM 218 CB GLN A 13 -9.706 -5.264 5.784 1.00 0.00 C ATOM 219 CG GLN A 13 -10.214 -5.088 7.222 1.00 0.00 C ATOM 220 CD GLN A 13 -9.027 -4.911 8.173 1.00 0.00 C ATOM 221 OE1 GLN A 13 -7.913 -5.270 7.846 1.00 0.00 O ATOM 222 NE2 GLN A 13 -9.220 -4.370 9.344 1.00 0.00 N ATOM 0 H GLN A 13 -10.371 -3.024 4.794 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.575 -5.691 3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.245 -6.246 5.678 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.933 -4.524 5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.872 -4.221 7.282 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.803 -5.956 7.518 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.155 -4.069 9.619 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.436 -4.248 9.985 1.00 0.00 H new ATOM 231 N GLN A 14 -12.950 -4.888 6.004 1.00 0.00 N ATOM 232 CA GLN A 14 -14.257 -5.401 6.532 1.00 0.00 C ATOM 233 C GLN A 14 -15.342 -5.336 5.452 1.00 0.00 C ATOM 234 O GLN A 14 -15.948 -6.330 5.109 1.00 0.00 O ATOM 235 CB GLN A 14 -14.721 -4.550 7.707 1.00 0.00 C ATOM 236 CG GLN A 14 -13.658 -4.549 8.813 1.00 0.00 C ATOM 237 CD GLN A 14 -14.261 -3.989 10.104 1.00 0.00 C ATOM 238 OE1 GLN A 14 -13.722 -3.073 10.692 1.00 0.00 O ATOM 239 NE2 GLN A 14 -15.365 -4.505 10.572 1.00 0.00 N ATOM 0 H GLN A 14 -12.734 -3.919 6.239 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.102 -6.434 6.845 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.911 -3.530 7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -15.662 -4.938 8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.292 -5.562 8.980 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.802 -3.947 8.508 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.818 -5.274 10.078 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.775 -4.139 11.431 1.00 0.00 H new ATOM 248 N LEU A 15 -15.609 -4.170 4.925 1.00 0.00 N ATOM 249 CA LEU A 15 -16.674 -4.050 3.887 1.00 0.00 C ATOM 250 C LEU A 15 -16.373 -5.025 2.757 1.00 0.00 C ATOM 251 O LEU A 15 -17.217 -5.788 2.333 1.00 0.00 O ATOM 252 CB LEU A 15 -16.696 -2.620 3.333 1.00 0.00 C ATOM 253 CG LEU A 15 -17.157 -1.628 4.419 1.00 0.00 C ATOM 254 CD1 LEU A 15 -16.831 -0.200 3.965 1.00 0.00 C ATOM 255 CD2 LEU A 15 -18.676 -1.752 4.665 1.00 0.00 C ATOM 0 H LEU A 15 -15.137 -3.299 5.168 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.644 -4.279 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -15.702 -2.345 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.366 -2.566 2.475 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.635 -1.857 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.154 0.507 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.756 -0.103 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.350 0.012 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -18.979 -1.043 5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.213 -1.536 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -18.910 -2.765 4.992 1.00 0.00 H new ATOM 267 N VAL A 16 -15.167 -5.010 2.280 1.00 0.00 N ATOM 268 CA VAL A 16 -14.783 -5.935 1.188 1.00 0.00 C ATOM 269 C VAL A 16 -15.070 -7.368 1.635 1.00 0.00 C ATOM 270 O VAL A 16 -15.510 -8.188 0.857 1.00 0.00 O ATOM 271 CB VAL A 16 -13.292 -5.772 0.879 1.00 0.00 C ATOM 272 CG1 VAL A 16 -12.921 -6.685 -0.292 1.00 0.00 C ATOM 273 CG2 VAL A 16 -12.981 -4.297 0.517 1.00 0.00 C ATOM 0 H VAL A 16 -14.424 -4.391 2.603 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.356 -5.710 0.288 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.707 -6.046 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.860 -6.574 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.129 -7.721 -0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.509 -6.411 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.918 -4.192 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.561 -4.007 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.245 -3.653 1.356 1.00 0.00 H new ATOM 283 N MET A 17 -14.841 -7.683 2.888 1.00 0.00 N ATOM 284 CA MET A 17 -15.128 -9.063 3.352 1.00 0.00 C ATOM 285 C MET A 17 -16.605 -9.368 3.093 1.00 0.00 C ATOM 286 O MET A 17 -16.970 -10.473 2.745 1.00 0.00 O ATOM 287 CB MET A 17 -14.832 -9.175 4.850 1.00 0.00 C ATOM 288 CG MET A 17 -14.834 -10.645 5.257 1.00 0.00 C ATOM 289 SD MET A 17 -14.752 -10.775 7.061 1.00 0.00 S ATOM 290 CE MET A 17 -14.555 -12.571 7.150 1.00 0.00 C ATOM 0 H MET A 17 -14.472 -7.048 3.596 1.00 0.00 H new ATOM 0 HA MET A 17 -14.502 -9.775 2.814 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.865 -8.725 5.076 1.00 0.00 H new ATOM 0 HB3 MET A 17 -15.580 -8.627 5.422 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.735 -11.134 4.888 1.00 0.00 H new ATOM 0 HG3 MET A 17 -13.985 -11.159 4.806 1.00 0.00 H new ATOM 0 HE1 MET A 17 -14.483 -12.878 8.193 1.00 0.00 H new ATOM 0 HE2 MET A 17 -15.416 -13.055 6.688 1.00 0.00 H new ATOM 0 HE3 MET A 17 -13.648 -12.864 6.622 1.00 0.00 H new ATOM 300 N ARG A 18 -17.459 -8.389 3.256 1.00 0.00 N ATOM 301 CA ARG A 18 -18.910 -8.626 3.015 1.00 0.00 C ATOM 302 C ARG A 18 -19.156 -8.764 1.507 1.00 0.00 C ATOM 303 O ARG A 18 -20.074 -9.435 1.079 1.00 0.00 O ATOM 304 CB ARG A 18 -19.713 -7.440 3.568 1.00 0.00 C ATOM 305 CG ARG A 18 -21.224 -7.656 3.359 1.00 0.00 C ATOM 306 CD ARG A 18 -21.702 -8.923 4.094 1.00 0.00 C ATOM 307 NE ARG A 18 -21.541 -10.105 3.200 1.00 0.00 N ATOM 308 CZ ARG A 18 -22.049 -11.258 3.543 1.00 0.00 C ATOM 309 NH1 ARG A 18 -22.698 -11.377 4.670 1.00 0.00 N ATOM 310 NH2 ARG A 18 -21.907 -12.293 2.760 1.00 0.00 N ATOM 0 H ARG A 18 -17.214 -7.442 3.544 1.00 0.00 H new ATOM 0 HA ARG A 18 -19.226 -9.541 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -19.502 -7.316 4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.401 -6.521 3.072 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -21.774 -6.789 3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -21.439 -7.745 2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -21.127 -9.064 5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -22.746 -8.815 4.387 1.00 0.00 H new ATOM 0 HE ARG A 18 -21.034 -10.013 2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -22.808 -10.569 5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -23.095 -12.278 4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -21.399 -12.201 1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -22.304 -13.194 3.028 1.00 0.00 H new ATOM 324 N TYR A 19 -18.341 -8.128 0.700 1.00 0.00 N ATOM 325 CA TYR A 19 -18.514 -8.207 -0.787 1.00 0.00 C ATOM 326 C TYR A 19 -17.535 -9.231 -1.364 1.00 0.00 C ATOM 327 O TYR A 19 -17.526 -9.499 -2.549 1.00 0.00 O ATOM 328 CB TYR A 19 -18.226 -6.832 -1.394 1.00 0.00 C ATOM 329 CG TYR A 19 -19.193 -5.823 -0.812 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.557 -5.922 -1.107 1.00 0.00 C ATOM 331 CD2 TYR A 19 -18.733 -4.799 0.030 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.461 -5.004 -0.564 1.00 0.00 C ATOM 333 CE2 TYR A 19 -19.639 -3.879 0.571 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.003 -3.982 0.276 1.00 0.00 C ATOM 335 OH TYR A 19 -21.896 -3.076 0.811 1.00 0.00 O ATOM 0 H TYR A 19 -17.557 -7.553 1.009 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.534 -8.511 -1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.199 -6.535 -1.182 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.329 -6.870 -2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -20.912 -6.709 -1.755 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.681 -4.721 0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.514 -5.083 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.285 -3.089 1.217 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.414 -2.433 1.372 1.00 0.00 H new ATOM 345 N GLY A 20 -16.706 -9.799 -0.533 1.00 0.00 N ATOM 346 CA GLY A 20 -15.716 -10.800 -1.019 1.00 0.00 C ATOM 347 C GLY A 20 -14.549 -10.066 -1.672 1.00 0.00 C ATOM 348 O GLY A 20 -13.456 -10.046 -1.150 1.00 0.00 O ATOM 0 H GLY A 20 -16.672 -9.611 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.360 -11.411 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.184 -11.476 -1.735 1.00 0.00 H new ATOM 352 N ALA A 21 -14.799 -9.460 -2.808 1.00 0.00 N ATOM 353 CA ALA A 21 -13.744 -8.693 -3.557 1.00 0.00 C ATOM 354 C ALA A 21 -14.145 -8.633 -5.042 1.00 0.00 C ATOM 355 O ALA A 21 -13.368 -8.949 -5.921 1.00 0.00 O ATOM 356 CB ALA A 21 -12.366 -9.378 -3.417 1.00 0.00 C ATOM 0 H ALA A 21 -15.713 -9.463 -3.261 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.667 -7.687 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.618 -8.806 -3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.087 -9.423 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.419 -10.389 -3.821 1.00 0.00 H new ATOM 362 N LYS A 22 -15.359 -8.239 -5.337 1.00 0.00 N ATOM 363 CA LYS A 22 -15.793 -8.179 -6.773 1.00 0.00 C ATOM 364 C LYS A 22 -16.909 -7.141 -6.986 1.00 0.00 C ATOM 365 O LYS A 22 -17.252 -6.835 -8.111 1.00 0.00 O ATOM 366 CB LYS A 22 -16.305 -9.556 -7.197 1.00 0.00 C ATOM 367 CG LYS A 22 -17.441 -9.989 -6.267 1.00 0.00 C ATOM 368 CD LYS A 22 -17.867 -11.417 -6.612 1.00 0.00 C ATOM 369 CE LYS A 22 -19.028 -11.836 -5.710 1.00 0.00 C ATOM 370 NZ LYS A 22 -18.541 -11.985 -4.309 1.00 0.00 N ATOM 0 H LYS A 22 -16.064 -7.958 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.934 -7.883 -7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.658 -9.523 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.494 -10.284 -7.161 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.115 -9.936 -5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.288 -9.311 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.166 -11.476 -7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.027 -12.100 -6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.823 -11.091 -5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.453 -12.776 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.247 -12.506 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.643 -12.509 -4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.393 -11.044 -3.891 1.00 0.00 H new ATOM 384 N ASP A 23 -17.480 -6.594 -5.933 1.00 0.00 N ATOM 385 CA ASP A 23 -18.575 -5.575 -6.089 1.00 0.00 C ATOM 386 C ASP A 23 -18.029 -4.201 -5.691 1.00 0.00 C ATOM 387 O ASP A 23 -18.629 -3.480 -4.919 1.00 0.00 O ATOM 388 CB ASP A 23 -19.749 -5.959 -5.173 1.00 0.00 C ATOM 389 CG ASP A 23 -21.023 -5.214 -5.591 1.00 0.00 C ATOM 390 OD1 ASP A 23 -21.057 -4.704 -6.698 1.00 0.00 O ATOM 391 OD2 ASP A 23 -21.945 -5.172 -4.794 1.00 0.00 O ATOM 0 H ASP A 23 -17.233 -6.811 -4.967 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.921 -5.543 -7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.918 -7.035 -5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -19.504 -5.720 -4.138 1.00 0.00 H new ATOM 396 N TRP A 24 -16.888 -3.846 -6.210 1.00 0.00 N ATOM 397 CA TRP A 24 -16.281 -2.528 -5.866 1.00 0.00 C ATOM 398 C TRP A 24 -17.180 -1.392 -6.349 1.00 0.00 C ATOM 399 O TRP A 24 -16.990 -0.246 -5.994 1.00 0.00 O ATOM 400 CB TRP A 24 -14.905 -2.425 -6.529 1.00 0.00 C ATOM 401 CG TRP A 24 -14.067 -3.555 -6.042 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.913 -4.746 -6.662 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.282 -3.619 -4.829 1.00 0.00 C ATOM 404 NE1 TRP A 24 -13.074 -5.538 -5.897 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.660 -4.883 -4.754 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.055 -2.702 -3.797 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.837 -5.226 -3.681 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.231 -3.037 -2.720 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.620 -4.297 -2.659 1.00 0.00 C ATOM 0 H TRP A 24 -16.346 -4.414 -6.861 1.00 0.00 H new ATOM 0 HA TRP A 24 -16.174 -2.448 -4.784 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -15.002 -2.464 -7.614 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -14.436 -1.472 -6.285 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -14.369 -5.032 -7.598 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.796 -6.487 -6.147 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.520 -1.728 -3.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.372 -6.200 -3.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.064 -2.321 -1.929 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.983 -4.550 -1.824 1.00 0.00 H new ATOM 420 N ILE A 25 -18.165 -1.699 -7.142 1.00 0.00 N ATOM 421 CA ILE A 25 -19.082 -0.637 -7.627 1.00 0.00 C ATOM 422 C ILE A 25 -19.976 -0.203 -6.470 1.00 0.00 C ATOM 423 O ILE A 25 -20.322 0.951 -6.335 1.00 0.00 O ATOM 424 CB ILE A 25 -19.939 -1.167 -8.785 1.00 0.00 C ATOM 425 CG1 ILE A 25 -20.520 -2.540 -8.424 1.00 0.00 C ATOM 426 CG2 ILE A 25 -19.079 -1.298 -10.045 1.00 0.00 C ATOM 427 CD1 ILE A 25 -21.462 -3.009 -9.536 1.00 0.00 C ATOM 0 H ILE A 25 -18.374 -2.640 -7.475 1.00 0.00 H new ATOM 0 HA ILE A 25 -18.505 0.213 -7.990 1.00 0.00 H new ATOM 0 HB ILE A 25 -20.755 -0.468 -8.969 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -19.715 -3.262 -8.287 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -21.059 -2.481 -7.478 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -19.690 -1.674 -10.865 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -18.674 -0.322 -10.312 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -18.259 -1.991 -9.856 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -21.873 -3.985 -9.277 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -22.275 -2.292 -9.651 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -20.910 -3.085 -10.473 1.00 0.00 H new ATOM 439 N ARG A 26 -20.347 -1.126 -5.625 1.00 0.00 N ATOM 440 CA ARG A 26 -21.216 -0.779 -4.471 1.00 0.00 C ATOM 441 C ARG A 26 -20.344 -0.131 -3.394 1.00 0.00 C ATOM 442 O ARG A 26 -20.697 0.877 -2.816 1.00 0.00 O ATOM 443 CB ARG A 26 -21.885 -2.069 -3.926 1.00 0.00 C ATOM 444 CG ARG A 26 -23.349 -2.173 -4.390 1.00 0.00 C ATOM 445 CD ARG A 26 -23.404 -2.358 -5.908 1.00 0.00 C ATOM 446 NE ARG A 26 -24.827 -2.466 -6.340 1.00 0.00 N ATOM 447 CZ ARG A 26 -25.139 -2.350 -7.602 1.00 0.00 C ATOM 448 NH1 ARG A 26 -24.206 -2.135 -8.488 1.00 0.00 N ATOM 449 NH2 ARG A 26 -26.385 -2.448 -7.977 1.00 0.00 N ATOM 0 H ARG A 26 -20.083 -2.109 -5.687 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.000 -0.085 -4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -21.329 -2.942 -4.267 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.845 -2.071 -2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -23.837 -3.012 -3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -23.894 -1.273 -4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.924 -1.516 -6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.855 -3.254 -6.197 1.00 0.00 H new ATOM 0 HE ARG A 26 -25.558 -2.631 -5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.232 -2.058 -8.195 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -24.450 -2.044 -9.474 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -27.115 -2.615 -7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.629 -2.357 -8.963 1.00 0.00 H new ATOM 463 N ILE A 27 -19.209 -0.702 -3.119 1.00 0.00 N ATOM 464 CA ILE A 27 -18.331 -0.112 -2.082 1.00 0.00 C ATOM 465 C ILE A 27 -18.002 1.330 -2.466 1.00 0.00 C ATOM 466 O ILE A 27 -17.874 2.197 -1.622 1.00 0.00 O ATOM 467 CB ILE A 27 -17.039 -0.921 -1.977 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.387 -2.374 -1.639 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.162 -0.326 -0.871 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.128 -3.247 -1.695 1.00 0.00 C ATOM 0 H ILE A 27 -18.854 -1.547 -3.566 1.00 0.00 H new ATOM 0 HA ILE A 27 -18.842 -0.129 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.498 -0.888 -2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.831 -2.427 -0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.131 -2.750 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.238 -0.899 -0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -15.926 0.711 -1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.697 -0.365 0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.389 -4.277 -1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.701 -3.207 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.398 -2.879 -0.975 1.00 0.00 H new ATOM 482 N SER A 28 -17.864 1.593 -3.735 1.00 0.00 N ATOM 483 CA SER A 28 -17.541 2.978 -4.177 1.00 0.00 C ATOM 484 C SER A 28 -18.782 3.862 -4.039 1.00 0.00 C ATOM 485 O SER A 28 -18.683 5.051 -3.819 1.00 0.00 O ATOM 486 CB SER A 28 -17.086 2.952 -5.635 1.00 0.00 C ATOM 487 OG SER A 28 -15.820 2.311 -5.719 1.00 0.00 O ATOM 0 H SER A 28 -17.961 0.909 -4.485 1.00 0.00 H new ATOM 0 HA SER A 28 -16.742 3.382 -3.556 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.816 2.422 -6.247 1.00 0.00 H new ATOM 0 HB3 SER A 28 -17.019 3.967 -6.026 1.00 0.00 H new ATOM 0 HG SER A 28 -15.948 1.344 -5.808 1.00 0.00 H new ATOM 493 N GLN A 29 -19.950 3.294 -4.165 1.00 0.00 N ATOM 494 CA GLN A 29 -21.187 4.120 -4.038 1.00 0.00 C ATOM 495 C GLN A 29 -21.258 4.698 -2.623 1.00 0.00 C ATOM 496 O GLN A 29 -21.589 5.851 -2.431 1.00 0.00 O ATOM 497 CB GLN A 29 -22.423 3.246 -4.317 1.00 0.00 C ATOM 498 CG GLN A 29 -22.596 3.047 -5.835 1.00 0.00 C ATOM 499 CD GLN A 29 -23.264 4.281 -6.453 1.00 0.00 C ATOM 500 OE1 GLN A 29 -24.474 4.379 -6.486 1.00 0.00 O ATOM 501 NE2 GLN A 29 -22.518 5.232 -6.946 1.00 0.00 N ATOM 0 H GLN A 29 -20.102 2.302 -4.349 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.164 4.936 -4.761 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.314 2.279 -3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.313 3.717 -3.900 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.625 2.877 -6.301 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -23.201 2.161 -6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -21.502 5.149 -6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -22.951 6.058 -7.359 1.00 0.00 H new ATOM 510 N LEU A 30 -20.938 3.914 -1.631 1.00 0.00 N ATOM 511 CA LEU A 30 -20.978 4.435 -0.237 1.00 0.00 C ATOM 512 C LEU A 30 -19.934 5.544 -0.098 1.00 0.00 C ATOM 513 O LEU A 30 -20.204 6.604 0.431 1.00 0.00 O ATOM 514 CB LEU A 30 -20.665 3.302 0.751 1.00 0.00 C ATOM 515 CG LEU A 30 -21.423 2.032 0.351 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.184 0.950 1.406 1.00 0.00 C ATOM 517 CD2 LEU A 30 -22.926 2.331 0.249 1.00 0.00 C ATOM 0 H LEU A 30 -20.652 2.939 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 30 -21.970 4.829 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -19.593 3.106 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.947 3.601 1.761 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.064 1.685 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.721 0.044 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.118 0.734 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -21.543 1.300 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.459 1.424 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.294 2.680 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.093 3.102 -0.504 1.00 0.00 H new ATOM 529 N MET A 31 -18.739 5.298 -0.582 1.00 0.00 N ATOM 530 CA MET A 31 -17.639 6.316 -0.505 1.00 0.00 C ATOM 531 C MET A 31 -17.239 6.736 -1.920 1.00 0.00 C ATOM 532 O MET A 31 -16.162 6.428 -2.388 1.00 0.00 O ATOM 533 CB MET A 31 -16.432 5.697 0.203 1.00 0.00 C ATOM 534 CG MET A 31 -16.759 5.499 1.685 1.00 0.00 C ATOM 535 SD MET A 31 -15.468 4.496 2.460 1.00 0.00 S ATOM 536 CE MET A 31 -16.474 3.831 3.809 1.00 0.00 C ATOM 0 H MET A 31 -18.475 4.423 -1.034 1.00 0.00 H new ATOM 0 HA MET A 31 -17.982 7.189 0.050 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.178 4.741 -0.256 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.562 6.344 0.095 1.00 0.00 H new ATOM 0 HG2 MET A 31 -16.832 6.465 2.184 1.00 0.00 H new ATOM 0 HG3 MET A 31 -17.727 5.010 1.792 1.00 0.00 H new ATOM 0 HE1 MET A 31 -15.874 3.144 4.406 1.00 0.00 H new ATOM 0 HE2 MET A 31 -16.823 4.649 4.439 1.00 0.00 H new ATOM 0 HE3 MET A 31 -17.331 3.300 3.396 1.00 0.00 H new ATOM 546 N ILE A 32 -18.099 7.439 -2.605 1.00 0.00 N ATOM 547 CA ILE A 32 -17.767 7.882 -3.991 1.00 0.00 C ATOM 548 C ILE A 32 -16.495 8.731 -3.971 1.00 0.00 C ATOM 549 O ILE A 32 -16.014 9.167 -4.998 1.00 0.00 O ATOM 550 CB ILE A 32 -18.935 8.694 -4.582 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.428 9.763 -3.582 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.096 7.749 -4.905 1.00 0.00 C ATOM 553 CD1 ILE A 32 -18.376 10.867 -3.379 1.00 0.00 C ATOM 0 H ILE A 32 -19.017 7.726 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 32 -17.600 7.004 -4.615 1.00 0.00 H new ATOM 0 HB ILE A 32 -18.584 9.192 -5.486 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -20.356 10.204 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.653 9.292 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -20.925 8.320 -5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -19.767 7.003 -5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.424 7.250 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -18.754 11.604 -2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.457 10.427 -2.991 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -18.171 11.354 -4.332 1.00 0.00 H new ATOM 565 N THR A 33 -15.940 8.967 -2.813 1.00 0.00 N ATOM 566 CA THR A 33 -14.697 9.782 -2.737 1.00 0.00 C ATOM 567 C THR A 33 -13.539 8.990 -3.343 1.00 0.00 C ATOM 568 O THR A 33 -12.409 9.435 -3.357 1.00 0.00 O ATOM 569 CB THR A 33 -14.386 10.104 -1.273 1.00 0.00 C ATOM 570 OG1 THR A 33 -14.068 8.904 -0.583 1.00 0.00 O ATOM 571 CG2 THR A 33 -15.604 10.762 -0.623 1.00 0.00 C ATOM 0 H THR A 33 -16.294 8.630 -1.918 1.00 0.00 H new ATOM 0 HA THR A 33 -14.834 10.712 -3.290 1.00 0.00 H new ATOM 0 HB THR A 33 -13.538 10.787 -1.223 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.867 9.109 0.354 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.381 10.991 0.419 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.846 11.683 -1.153 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.454 10.082 -0.671 1.00 0.00 H new ATOM 579 N ARG A 34 -13.814 7.812 -3.846 1.00 0.00 N ATOM 580 CA ARG A 34 -12.731 6.979 -4.456 1.00 0.00 C ATOM 581 C ARG A 34 -13.339 6.102 -5.554 1.00 0.00 C ATOM 582 O ARG A 34 -14.441 5.609 -5.424 1.00 0.00 O ATOM 583 CB ARG A 34 -12.096 6.109 -3.360 1.00 0.00 C ATOM 584 CG ARG A 34 -13.073 4.999 -2.919 1.00 0.00 C ATOM 585 CD ARG A 34 -12.684 4.468 -1.532 1.00 0.00 C ATOM 586 NE ARG A 34 -13.736 3.520 -1.056 1.00 0.00 N ATOM 587 CZ ARG A 34 -13.889 3.289 0.222 1.00 0.00 C ATOM 588 NH1 ARG A 34 -13.114 3.880 1.091 1.00 0.00 N ATOM 589 NH2 ARG A 34 -14.815 2.467 0.630 1.00 0.00 N ATOM 0 H ARG A 34 -14.743 7.391 -3.861 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.961 7.613 -4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.173 5.663 -3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.830 6.729 -2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.090 5.389 -2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.061 4.185 -3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.719 3.964 -1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.578 5.295 -0.830 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.338 3.050 -1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.388 4.523 0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.234 3.699 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.420 2.004 -0.048 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.934 2.287 1.627 1.00 0.00 H new ATOM 603 N ASN A 35 -12.641 5.918 -6.645 1.00 0.00 N ATOM 604 CA ASN A 35 -13.199 5.088 -7.754 1.00 0.00 C ATOM 605 C ASN A 35 -12.996 3.594 -7.450 1.00 0.00 C ATOM 606 O ASN A 35 -12.039 3.224 -6.802 1.00 0.00 O ATOM 607 CB ASN A 35 -12.479 5.443 -9.058 1.00 0.00 C ATOM 608 CG ASN A 35 -12.436 6.964 -9.219 1.00 0.00 C ATOM 609 OD1 ASN A 35 -11.446 7.512 -9.661 1.00 0.00 O ATOM 610 ND2 ASN A 35 -13.477 7.674 -8.878 1.00 0.00 N ATOM 0 H ASN A 35 -11.713 6.305 -6.816 1.00 0.00 H new ATOM 0 HA ASN A 35 -14.266 5.289 -7.851 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.467 5.039 -9.049 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.995 4.991 -9.905 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.459 8.688 -8.983 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.308 7.214 -8.507 1.00 0.00 H new ATOM 617 N PRO A 36 -13.871 2.725 -7.922 1.00 0.00 N ATOM 618 CA PRO A 36 -13.728 1.260 -7.686 1.00 0.00 C ATOM 619 C PRO A 36 -12.278 0.799 -7.877 1.00 0.00 C ATOM 620 O PRO A 36 -11.783 -0.058 -7.172 1.00 0.00 O ATOM 621 CB PRO A 36 -14.638 0.641 -8.758 1.00 0.00 C ATOM 622 CG PRO A 36 -15.726 1.648 -8.959 1.00 0.00 C ATOM 623 CD PRO A 36 -15.083 3.026 -8.719 1.00 0.00 C ATOM 0 HA PRO A 36 -13.995 0.971 -6.670 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.092 0.458 -9.683 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.041 -0.317 -8.430 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.138 1.580 -9.966 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.549 1.476 -8.265 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.830 3.517 -9.659 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -15.758 3.693 -8.182 1.00 0.00 H new ATOM 631 N ARG A 37 -11.605 1.368 -8.838 1.00 0.00 N ATOM 632 CA ARG A 37 -10.192 0.981 -9.104 1.00 0.00 C ATOM 633 C ARG A 37 -9.295 1.451 -7.956 1.00 0.00 C ATOM 634 O ARG A 37 -8.251 0.885 -7.702 1.00 0.00 O ATOM 635 CB ARG A 37 -9.727 1.634 -10.407 1.00 0.00 C ATOM 636 CG ARG A 37 -10.497 1.033 -11.584 1.00 0.00 C ATOM 637 CD ARG A 37 -10.014 1.670 -12.888 1.00 0.00 C ATOM 638 NE ARG A 37 -10.750 1.069 -14.037 1.00 0.00 N ATOM 639 CZ ARG A 37 -10.549 1.515 -15.247 1.00 0.00 C ATOM 640 NH1 ARG A 37 -9.703 2.488 -15.453 1.00 0.00 N ATOM 641 NH2 ARG A 37 -11.195 0.989 -16.252 1.00 0.00 N ATOM 0 H ARG A 37 -11.977 2.090 -9.455 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.128 -0.104 -9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.890 2.711 -10.364 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.657 1.479 -10.542 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.348 -0.046 -11.617 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.566 1.203 -11.458 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -10.177 2.747 -12.861 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.942 1.513 -13.007 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.411 0.309 -13.877 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.199 2.900 -14.668 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.546 2.836 -16.399 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.857 0.230 -16.092 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.038 1.337 -17.198 1.00 0.00 H new ATOM 655 N GLN A 38 -9.680 2.494 -7.274 1.00 0.00 N ATOM 656 CA GLN A 38 -8.833 3.012 -6.162 1.00 0.00 C ATOM 657 C GLN A 38 -8.895 2.082 -4.948 1.00 0.00 C ATOM 658 O GLN A 38 -7.900 1.857 -4.288 1.00 0.00 O ATOM 659 CB GLN A 38 -9.326 4.403 -5.755 1.00 0.00 C ATOM 660 CG GLN A 38 -9.086 5.393 -6.900 1.00 0.00 C ATOM 661 CD GLN A 38 -7.592 5.709 -7.008 1.00 0.00 C ATOM 662 OE1 GLN A 38 -6.799 5.228 -6.224 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.176 6.504 -7.954 1.00 0.00 N ATOM 0 H GLN A 38 -10.544 3.010 -7.438 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.801 3.064 -6.509 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.388 4.366 -5.510 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.804 4.736 -4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.447 4.972 -7.838 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.649 6.310 -6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.843 6.907 -8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.183 6.723 -8.036 1.00 0.00 H new ATOM 672 N CYS A 39 -10.044 1.541 -4.628 1.00 0.00 N ATOM 673 CA CYS A 39 -10.136 0.646 -3.449 1.00 0.00 C ATOM 674 C CYS A 39 -9.773 -0.781 -3.874 1.00 0.00 C ATOM 675 O CYS A 39 -9.384 -1.598 -3.066 1.00 0.00 O ATOM 676 CB CYS A 39 -11.563 0.724 -2.913 1.00 0.00 C ATOM 677 SG CYS A 39 -12.722 0.799 -4.302 1.00 0.00 S ATOM 0 H CYS A 39 -10.917 1.684 -5.135 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.443 0.947 -2.663 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.778 -0.145 -2.292 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.678 1.604 -2.281 1.00 0.00 H new ATOM 0 HG CYS A 39 -12.166 0.285 -5.359 1.00 0.00 H new ATOM 683 N ARG A 40 -9.867 -1.076 -5.140 1.00 0.00 N ATOM 684 CA ARG A 40 -9.490 -2.438 -5.617 1.00 0.00 C ATOM 685 C ARG A 40 -7.971 -2.550 -5.538 1.00 0.00 C ATOM 686 O ARG A 40 -7.424 -3.594 -5.259 1.00 0.00 O ATOM 687 CB ARG A 40 -9.958 -2.612 -7.068 1.00 0.00 C ATOM 688 CG ARG A 40 -9.374 -3.891 -7.700 1.00 0.00 C ATOM 689 CD ARG A 40 -9.753 -5.118 -6.869 1.00 0.00 C ATOM 690 NE ARG A 40 -9.523 -6.350 -7.673 1.00 0.00 N ATOM 691 CZ ARG A 40 -9.709 -7.526 -7.136 1.00 0.00 C ATOM 692 NH1 ARG A 40 -10.097 -7.623 -5.894 1.00 0.00 N ATOM 693 NH2 ARG A 40 -9.506 -8.605 -7.843 1.00 0.00 N ATOM 0 H ARG A 40 -10.188 -0.435 -5.865 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.956 -3.211 -5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.047 -2.655 -7.098 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.657 -1.744 -7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.747 -4.004 -8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.289 -3.809 -7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.159 -5.150 -5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.799 -5.058 -6.567 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.220 -6.275 -8.644 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.255 -6.780 -5.342 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.242 -8.542 -5.475 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.202 -8.529 -8.814 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.651 -9.524 -7.424 1.00 0.00 H new ATOM 707 N GLU A 41 -7.284 -1.469 -5.774 1.00 0.00 N ATOM 708 CA GLU A 41 -5.802 -1.502 -5.704 1.00 0.00 C ATOM 709 C GLU A 41 -5.396 -1.724 -4.249 1.00 0.00 C ATOM 710 O GLU A 41 -4.318 -2.199 -3.956 1.00 0.00 O ATOM 711 CB GLU A 41 -5.227 -0.172 -6.210 1.00 0.00 C ATOM 712 CG GLU A 41 -5.301 -0.122 -7.741 1.00 0.00 C ATOM 713 CD GLU A 41 -4.268 -1.081 -8.338 1.00 0.00 C ATOM 714 OE1 GLU A 41 -3.467 -1.607 -7.583 1.00 0.00 O ATOM 715 OE2 GLU A 41 -4.296 -1.274 -9.543 1.00 0.00 O ATOM 0 H GLU A 41 -7.688 -0.563 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.414 -2.307 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.784 0.662 -5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.193 -0.065 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.302 -0.395 -8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.114 0.893 -8.091 1.00 0.00 H new ATOM 722 N ARG A 42 -6.260 -1.379 -3.336 1.00 0.00 N ATOM 723 CA ARG A 42 -5.934 -1.563 -1.892 1.00 0.00 C ATOM 724 C ARG A 42 -5.923 -3.059 -1.560 1.00 0.00 C ATOM 725 O ARG A 42 -4.953 -3.592 -1.062 1.00 0.00 O ATOM 726 CB ARG A 42 -7.013 -0.850 -1.057 1.00 0.00 C ATOM 727 CG ARG A 42 -6.649 -0.828 0.456 1.00 0.00 C ATOM 728 CD ARG A 42 -7.354 -1.975 1.205 1.00 0.00 C ATOM 729 NE ARG A 42 -6.777 -2.117 2.571 1.00 0.00 N ATOM 730 CZ ARG A 42 -7.347 -2.910 3.439 1.00 0.00 C ATOM 731 NH1 ARG A 42 -8.430 -3.561 3.116 1.00 0.00 N ATOM 732 NH2 ARG A 42 -6.833 -3.051 4.631 1.00 0.00 N ATOM 0 H ARG A 42 -7.178 -0.977 -3.526 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.953 -1.144 -1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.135 0.172 -1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.970 -1.353 -1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.569 -0.919 0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.939 0.129 0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.423 -1.775 1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.238 -2.908 0.653 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.939 -1.596 2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.833 -3.451 2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.874 -4.180 3.794 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.986 -2.542 4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.278 -3.670 5.308 1.00 0.00 H new ATOM 746 N TRP A 43 -7.006 -3.730 -1.823 1.00 0.00 N ATOM 747 CA TRP A 43 -7.105 -5.192 -1.516 1.00 0.00 C ATOM 748 C TRP A 43 -5.840 -5.929 -1.987 1.00 0.00 C ATOM 749 O TRP A 43 -5.228 -6.640 -1.220 1.00 0.00 O ATOM 750 CB TRP A 43 -8.425 -5.730 -2.159 1.00 0.00 C ATOM 751 CG TRP A 43 -8.226 -6.879 -3.106 1.00 0.00 C ATOM 752 CD1 TRP A 43 -7.670 -6.782 -4.332 1.00 0.00 C ATOM 753 CD2 TRP A 43 -8.621 -8.272 -2.947 1.00 0.00 C ATOM 754 NE1 TRP A 43 -7.680 -8.028 -4.931 1.00 0.00 N ATOM 755 CE2 TRP A 43 -8.255 -8.980 -4.118 1.00 0.00 C ATOM 756 CE3 TRP A 43 -9.245 -8.985 -1.908 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -8.504 -10.347 -4.253 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -9.497 -10.361 -2.041 1.00 0.00 C ATOM 759 CH2 TRP A 43 -9.127 -11.040 -3.211 1.00 0.00 C ATOM 0 H TRP A 43 -7.843 -3.326 -2.244 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.157 -5.370 -0.442 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.102 -6.042 -1.364 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.914 -4.915 -2.692 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.280 -5.877 -4.774 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.307 -8.219 -5.861 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.532 -8.472 -1.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -8.217 -10.865 -5.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.978 -10.899 -1.238 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.323 -12.098 -3.307 1.00 0.00 H new ATOM 770 N ASN A 44 -5.431 -5.766 -3.209 1.00 0.00 N ATOM 771 CA ASN A 44 -4.200 -6.479 -3.664 1.00 0.00 C ATOM 772 C ASN A 44 -2.973 -5.901 -2.950 1.00 0.00 C ATOM 773 O ASN A 44 -1.957 -6.556 -2.826 1.00 0.00 O ATOM 774 CB ASN A 44 -4.026 -6.302 -5.176 1.00 0.00 C ATOM 775 CG ASN A 44 -5.178 -6.980 -5.921 1.00 0.00 C ATOM 776 OD1 ASN A 44 -5.387 -8.169 -5.787 1.00 0.00 O ATOM 777 ND2 ASN A 44 -5.939 -6.266 -6.709 1.00 0.00 N ATOM 0 H ASN A 44 -5.885 -5.179 -3.909 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.298 -7.539 -3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.996 -5.241 -5.425 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.075 -6.731 -5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.709 -6.707 -7.212 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.763 -5.268 -6.821 1.00 0.00 H new ATOM 784 N ASN A 45 -3.057 -4.674 -2.493 1.00 0.00 N ATOM 785 CA ASN A 45 -1.894 -4.027 -1.796 1.00 0.00 C ATOM 786 C ASN A 45 -2.155 -3.944 -0.290 1.00 0.00 C ATOM 787 O ASN A 45 -1.517 -3.183 0.410 1.00 0.00 O ATOM 788 CB ASN A 45 -1.710 -2.610 -2.347 1.00 0.00 C ATOM 789 CG ASN A 45 -1.287 -2.683 -3.816 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.307 -3.321 -4.146 1.00 0.00 O ATOM 791 ND2 ASN A 45 -1.989 -2.053 -4.717 1.00 0.00 N ATOM 0 H ASN A 45 -3.887 -4.087 -2.573 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.998 -4.623 -1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.640 -2.049 -2.253 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.956 -2.078 -1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.715 -2.096 -5.699 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.812 -1.517 -4.440 1.00 0.00 H new ATOM 798 N TYR A 46 -3.082 -4.713 0.225 1.00 0.00 N ATOM 799 CA TYR A 46 -3.364 -4.660 1.697 1.00 0.00 C ATOM 800 C TYR A 46 -3.810 -6.047 2.184 1.00 0.00 C ATOM 801 O TYR A 46 -3.187 -6.623 3.056 1.00 0.00 O ATOM 802 CB TYR A 46 -4.451 -3.592 1.963 1.00 0.00 C ATOM 803 CG TYR A 46 -4.141 -2.821 3.240 1.00 0.00 C ATOM 804 CD1 TYR A 46 -4.120 -3.491 4.467 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.875 -1.443 3.193 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.838 -2.793 5.646 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.592 -0.745 4.373 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.575 -1.420 5.600 1.00 0.00 C ATOM 809 OH TYR A 46 -3.296 -0.730 6.762 1.00 0.00 O ATOM 0 H TYR A 46 -3.653 -5.372 -0.304 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.465 -4.383 2.247 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.506 -2.903 1.120 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.426 -4.071 2.048 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.322 -4.551 4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.889 -0.922 2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.823 -3.314 6.592 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.387 0.315 4.337 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.136 0.214 6.552 1.00 0.00 H new ATOM 819 N ILE A 47 -4.863 -6.603 1.626 1.00 0.00 N ATOM 820 CA ILE A 47 -5.311 -7.968 2.066 1.00 0.00 C ATOM 821 C ILE A 47 -5.865 -8.754 0.865 1.00 0.00 C ATOM 822 O ILE A 47 -6.850 -8.396 0.253 1.00 0.00 O ATOM 823 CB ILE A 47 -6.355 -7.873 3.232 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.822 -7.747 2.743 1.00 0.00 C ATOM 825 CG2 ILE A 47 -6.045 -6.663 4.115 1.00 0.00 C ATOM 826 CD1 ILE A 47 -8.042 -6.477 1.897 1.00 0.00 C ATOM 0 H ILE A 47 -5.427 -6.176 0.892 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.450 -8.510 2.456 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.266 -8.807 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.084 -8.625 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.491 -7.730 3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.775 -6.605 4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.045 -6.767 4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.093 -5.754 3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.083 -6.429 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.806 -5.596 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.393 -6.506 1.022 1.00 0.00 H new ATOM 838 N ASN A 48 -5.215 -9.835 0.534 1.00 0.00 N ATOM 839 CA ASN A 48 -5.666 -10.690 -0.600 1.00 0.00 C ATOM 840 C ASN A 48 -4.814 -11.975 -0.637 1.00 0.00 C ATOM 841 O ASN A 48 -5.344 -13.061 -0.757 1.00 0.00 O ATOM 842 CB ASN A 48 -5.577 -9.889 -1.935 1.00 0.00 C ATOM 843 CG ASN A 48 -4.631 -10.547 -2.958 1.00 0.00 C ATOM 844 OD1 ASN A 48 -4.932 -11.594 -3.495 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.495 -9.969 -3.245 1.00 0.00 N ATOM 0 H ASN A 48 -4.376 -10.168 1.010 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.708 -10.980 -0.464 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.573 -9.802 -2.370 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.232 -8.877 -1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.861 -10.397 -3.920 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.242 -9.090 -2.794 1.00 0.00 H new ATOM 852 N PRO A 49 -3.505 -11.861 -0.556 1.00 0.00 N ATOM 853 CA PRO A 49 -2.586 -13.021 -0.604 1.00 0.00 C ATOM 854 C PRO A 49 -2.053 -13.415 0.783 1.00 0.00 C ATOM 855 O PRO A 49 -1.352 -14.395 0.924 1.00 0.00 O ATOM 856 CB PRO A 49 -1.457 -12.468 -1.486 1.00 0.00 C ATOM 857 CG PRO A 49 -1.409 -10.979 -1.178 1.00 0.00 C ATOM 858 CD PRO A 49 -2.714 -10.631 -0.415 1.00 0.00 C ATOM 0 HA PRO A 49 -3.059 -13.931 -0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.506 -12.949 -1.257 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.658 -12.646 -2.542 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.534 -10.738 -0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.333 -10.397 -2.097 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.521 -10.391 0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.221 -9.770 -0.851 1.00 0.00 H new ATOM 866 N ALA A 50 -2.356 -12.646 1.799 1.00 0.00 N ATOM 867 CA ALA A 50 -1.841 -12.966 3.165 1.00 0.00 C ATOM 868 C ALA A 50 -0.341 -12.662 3.182 1.00 0.00 C ATOM 869 O ALA A 50 0.486 -13.516 3.434 1.00 0.00 O ATOM 870 CB ALA A 50 -2.109 -14.449 3.503 1.00 0.00 C ATOM 0 H ALA A 50 -2.938 -11.810 1.741 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.349 -12.364 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.729 -14.669 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.182 -14.641 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.606 -15.085 2.775 1.00 0.00 H new ATOM 876 N LEU A 51 0.003 -11.437 2.891 1.00 0.00 N ATOM 877 CA LEU A 51 1.440 -11.026 2.854 1.00 0.00 C ATOM 878 C LEU A 51 1.871 -10.539 4.241 1.00 0.00 C ATOM 879 O LEU A 51 2.741 -9.701 4.375 1.00 0.00 O ATOM 880 CB LEU A 51 1.629 -9.906 1.800 1.00 0.00 C ATOM 881 CG LEU A 51 0.389 -8.997 1.734 1.00 0.00 C ATOM 882 CD1 LEU A 51 0.136 -8.346 3.099 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.620 -7.908 0.683 1.00 0.00 C ATOM 0 H LEU A 51 -0.659 -10.692 2.674 1.00 0.00 H new ATOM 0 HA LEU A 51 2.061 -11.878 2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.508 -9.311 2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.812 -10.350 0.821 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.481 -9.596 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.744 -7.705 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.030 -9.121 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.002 -7.748 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.255 -7.261 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.493 -7.316 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.787 -8.371 -0.290 1.00 0.00 H new ATOM 895 N ARG A 52 1.279 -11.066 5.276 1.00 0.00 N ATOM 896 CA ARG A 52 1.669 -10.641 6.648 1.00 0.00 C ATOM 897 C ARG A 52 3.168 -10.889 6.842 1.00 0.00 C ATOM 898 O ARG A 52 3.742 -10.527 7.849 1.00 0.00 O ATOM 899 CB ARG A 52 0.878 -11.449 7.679 1.00 0.00 C ATOM 900 CG ARG A 52 -0.620 -11.287 7.413 1.00 0.00 C ATOM 901 CD ARG A 52 -1.413 -11.963 8.533 1.00 0.00 C ATOM 902 NE ARG A 52 -1.217 -11.211 9.804 1.00 0.00 N ATOM 903 CZ ARG A 52 -1.792 -10.051 9.973 1.00 0.00 C ATOM 904 NH1 ARG A 52 -2.540 -9.549 9.028 1.00 0.00 N ATOM 905 NH2 ARG A 52 -1.619 -9.392 11.086 1.00 0.00 N ATOM 0 H ARG A 52 0.543 -11.771 5.231 1.00 0.00 H new ATOM 0 HA ARG A 52 1.452 -9.581 6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.156 -12.501 7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.118 -11.108 8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.878 -10.229 7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.879 -11.729 6.451 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.472 -11.994 8.276 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.084 -12.995 8.654 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.633 -11.603 10.543 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.675 -10.063 8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.989 -8.643 9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.034 -9.783 11.825 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.068 -8.486 11.217 1.00 0.00 H new ATOM 919 N THR A 53 3.805 -11.509 5.880 1.00 0.00 N ATOM 920 CA THR A 53 5.269 -11.788 5.999 1.00 0.00 C ATOM 921 C THR A 53 5.881 -11.913 4.600 1.00 0.00 C ATOM 922 O THR A 53 6.320 -12.973 4.199 1.00 0.00 O ATOM 923 CB THR A 53 5.477 -13.097 6.766 1.00 0.00 C ATOM 924 OG1 THR A 53 6.801 -13.563 6.551 1.00 0.00 O ATOM 925 CG2 THR A 53 4.479 -14.144 6.270 1.00 0.00 C ATOM 0 H THR A 53 3.373 -11.835 5.015 1.00 0.00 H new ATOM 0 HA THR A 53 5.753 -10.971 6.535 1.00 0.00 H new ATOM 0 HB THR A 53 5.320 -12.925 7.831 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.900 -13.847 5.618 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.627 -15.076 6.816 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.463 -13.785 6.434 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.634 -14.319 5.205 1.00 0.00 H new ATOM 933 N ASP A 54 5.914 -10.830 3.859 1.00 0.00 N ATOM 934 CA ASP A 54 6.497 -10.849 2.476 1.00 0.00 C ATOM 935 C ASP A 54 7.495 -9.697 2.343 1.00 0.00 C ATOM 936 O ASP A 54 7.254 -8.745 1.627 1.00 0.00 O ATOM 937 CB ASP A 54 5.373 -10.659 1.454 1.00 0.00 C ATOM 938 CG ASP A 54 4.458 -11.885 1.467 1.00 0.00 C ATOM 939 OD1 ASP A 54 4.355 -12.513 2.509 1.00 0.00 O ATOM 940 OD2 ASP A 54 3.875 -12.177 0.436 1.00 0.00 O ATOM 0 H ASP A 54 5.557 -9.922 4.157 1.00 0.00 H new ATOM 0 HA ASP A 54 6.999 -11.800 2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.800 -9.762 1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.793 -10.516 0.458 1.00 0.00 H new ATOM 945 N PRO A 55 8.604 -9.769 3.036 1.00 0.00 N ATOM 946 CA PRO A 55 9.642 -8.698 3.002 1.00 0.00 C ATOM 947 C PRO A 55 10.498 -8.756 1.736 1.00 0.00 C ATOM 948 O PRO A 55 10.945 -9.804 1.316 1.00 0.00 O ATOM 949 CB PRO A 55 10.484 -8.992 4.248 1.00 0.00 C ATOM 950 CG PRO A 55 10.425 -10.477 4.375 1.00 0.00 C ATOM 951 CD PRO A 55 9.007 -10.876 3.932 1.00 0.00 C ATOM 0 HA PRO A 55 9.206 -7.699 2.993 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.509 -8.641 4.130 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.078 -8.499 5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.179 -10.954 3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.617 -10.790 5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.003 -11.835 3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.332 -10.971 4.783 1.00 0.00 H new ATOM 959 N TRP A 56 10.735 -7.624 1.138 1.00 0.00 N ATOM 960 CA TRP A 56 11.572 -7.575 -0.098 1.00 0.00 C ATOM 961 C TRP A 56 13.055 -7.563 0.305 1.00 0.00 C ATOM 962 O TRP A 56 13.397 -7.873 1.429 1.00 0.00 O ATOM 963 CB TRP A 56 11.203 -6.326 -0.933 1.00 0.00 C ATOM 964 CG TRP A 56 10.674 -5.226 -0.059 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.417 -5.162 0.440 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.354 -4.028 0.398 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.278 -3.993 1.169 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.452 -3.260 1.176 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.656 -3.539 0.215 1.00 0.00 C ATOM 970 CZ2 TRP A 56 10.835 -2.045 1.746 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.044 -2.323 0.785 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.138 -1.574 1.548 1.00 0.00 C ATOM 0 H TRP A 56 10.383 -6.720 1.453 1.00 0.00 H new ATOM 0 HA TRP A 56 11.386 -8.454 -0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 56 12.082 -5.974 -1.473 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.455 -6.592 -1.680 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.646 -5.904 0.293 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.420 -3.708 1.641 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.364 -4.106 -0.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.132 -1.474 2.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.050 -1.958 0.636 1.00 0.00 H new ATOM 0 HH2 TRP A 56 12.445 -0.634 1.983 1.00 0.00 H new ATOM 983 N SER A 57 13.940 -7.235 -0.610 1.00 0.00 N ATOM 984 CA SER A 57 15.409 -7.232 -0.290 1.00 0.00 C ATOM 985 C SER A 57 16.081 -6.016 -0.965 1.00 0.00 C ATOM 986 O SER A 57 15.430 -5.251 -1.649 1.00 0.00 O ATOM 987 CB SER A 57 16.009 -8.562 -0.796 1.00 0.00 C ATOM 988 OG SER A 57 16.800 -9.140 0.235 1.00 0.00 O ATOM 0 H SER A 57 13.709 -6.968 -1.567 1.00 0.00 H new ATOM 0 HA SER A 57 15.578 -7.149 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.212 -9.247 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.618 -8.386 -1.683 1.00 0.00 H new ATOM 0 HG SER A 57 17.182 -9.986 -0.081 1.00 0.00 H new ATOM 994 N PRO A 58 17.371 -5.834 -0.770 1.00 0.00 N ATOM 995 CA PRO A 58 18.127 -4.685 -1.366 1.00 0.00 C ATOM 996 C PRO A 58 17.827 -4.479 -2.858 1.00 0.00 C ATOM 997 O PRO A 58 18.135 -3.451 -3.427 1.00 0.00 O ATOM 998 CB PRO A 58 19.594 -5.074 -1.142 1.00 0.00 C ATOM 999 CG PRO A 58 19.563 -5.877 0.115 1.00 0.00 C ATOM 1000 CD PRO A 58 18.267 -6.692 0.039 1.00 0.00 C ATOM 0 HA PRO A 58 17.852 -3.735 -0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.986 -5.654 -1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.230 -4.194 -1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.434 -6.528 0.188 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.572 -5.233 0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.429 -7.662 -0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.854 -6.884 1.029 1.00 0.00 H new ATOM 1008 N GLU A 59 17.228 -5.448 -3.489 1.00 0.00 N ATOM 1009 CA GLU A 59 16.906 -5.319 -4.930 1.00 0.00 C ATOM 1010 C GLU A 59 15.777 -4.313 -5.083 1.00 0.00 C ATOM 1011 O GLU A 59 15.784 -3.490 -5.977 1.00 0.00 O ATOM 1012 CB GLU A 59 16.464 -6.677 -5.482 1.00 0.00 C ATOM 1013 CG GLU A 59 17.620 -7.672 -5.378 1.00 0.00 C ATOM 1014 CD GLU A 59 18.724 -7.279 -6.362 1.00 0.00 C ATOM 1015 OE1 GLU A 59 18.451 -7.263 -7.551 1.00 0.00 O ATOM 1016 OE2 GLU A 59 19.822 -7.000 -5.910 1.00 0.00 O ATOM 0 H GLU A 59 16.946 -6.330 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 59 17.784 -4.982 -5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.603 -7.045 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.151 -6.574 -6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 59 18.012 -7.684 -4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.267 -8.680 -5.596 1.00 0.00 H new ATOM 1023 N GLU A 60 14.808 -4.349 -4.202 1.00 0.00 N ATOM 1024 CA GLU A 60 13.701 -3.370 -4.296 1.00 0.00 C ATOM 1025 C GLU A 60 14.151 -2.090 -3.602 1.00 0.00 C ATOM 1026 O GLU A 60 13.718 -1.018 -3.938 1.00 0.00 O ATOM 1027 CB GLU A 60 12.450 -3.929 -3.618 1.00 0.00 C ATOM 1028 CG GLU A 60 12.184 -5.351 -4.123 1.00 0.00 C ATOM 1029 CD GLU A 60 12.042 -5.341 -5.647 1.00 0.00 C ATOM 1030 OE1 GLU A 60 13.050 -5.494 -6.317 1.00 0.00 O ATOM 1031 OE2 GLU A 60 10.928 -5.180 -6.118 1.00 0.00 O ATOM 0 H GLU A 60 14.742 -5.012 -3.430 1.00 0.00 H new ATOM 0 HA GLU A 60 13.458 -3.167 -5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.582 -3.935 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.593 -3.290 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.001 -6.010 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.276 -5.745 -3.666 1.00 0.00 H new ATOM 1038 N ASP A 61 15.038 -2.197 -2.646 1.00 0.00 N ATOM 1039 CA ASP A 61 15.526 -0.973 -1.948 1.00 0.00 C ATOM 1040 C ASP A 61 16.271 -0.096 -2.959 1.00 0.00 C ATOM 1041 O ASP A 61 15.930 1.048 -3.178 1.00 0.00 O ATOM 1042 CB ASP A 61 16.484 -1.370 -0.807 1.00 0.00 C ATOM 1043 CG ASP A 61 16.534 -0.262 0.252 1.00 0.00 C ATOM 1044 OD1 ASP A 61 16.014 0.809 -0.013 1.00 0.00 O ATOM 1045 OD2 ASP A 61 17.093 -0.505 1.309 1.00 0.00 O ATOM 0 H ASP A 61 15.443 -3.075 -2.321 1.00 0.00 H new ATOM 0 HA ASP A 61 14.682 -0.426 -1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.152 -2.303 -0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.483 -1.547 -1.206 1.00 0.00 H new ATOM 1050 N MET A 62 17.286 -0.637 -3.576 1.00 0.00 N ATOM 1051 CA MET A 62 18.059 0.148 -4.572 1.00 0.00 C ATOM 1052 C MET A 62 17.129 0.571 -5.707 1.00 0.00 C ATOM 1053 O MET A 62 17.261 1.643 -6.262 1.00 0.00 O ATOM 1054 CB MET A 62 19.192 -0.714 -5.132 1.00 0.00 C ATOM 1055 CG MET A 62 20.155 -1.089 -4.004 1.00 0.00 C ATOM 1056 SD MET A 62 21.051 0.386 -3.458 1.00 0.00 S ATOM 1057 CE MET A 62 22.348 -0.467 -2.529 1.00 0.00 C ATOM 0 H MET A 62 17.612 -1.593 -3.431 1.00 0.00 H new ATOM 0 HA MET A 62 18.481 1.033 -4.096 1.00 0.00 H new ATOM 0 HB2 MET A 62 18.785 -1.615 -5.591 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.724 -0.171 -5.913 1.00 0.00 H new ATOM 0 HG2 MET A 62 19.603 -1.522 -3.170 1.00 0.00 H new ATOM 0 HG3 MET A 62 20.858 -1.847 -4.349 1.00 0.00 H new ATOM 0 HE1 MET A 62 23.028 0.267 -2.097 1.00 0.00 H new ATOM 0 HE2 MET A 62 21.896 -1.057 -1.732 1.00 0.00 H new ATOM 0 HE3 MET A 62 22.902 -1.125 -3.198 1.00 0.00 H new ATOM 1067 N LEU A 63 16.183 -0.262 -6.058 1.00 0.00 N ATOM 1068 CA LEU A 63 15.242 0.106 -7.162 1.00 0.00 C ATOM 1069 C LEU A 63 14.167 1.045 -6.609 1.00 0.00 C ATOM 1070 O LEU A 63 13.608 1.855 -7.322 1.00 0.00 O ATOM 1071 CB LEU A 63 14.583 -1.163 -7.723 1.00 0.00 C ATOM 1072 CG LEU A 63 13.817 -0.844 -9.033 1.00 0.00 C ATOM 1073 CD1 LEU A 63 14.779 -0.813 -10.233 1.00 0.00 C ATOM 1074 CD2 LEU A 63 12.755 -1.922 -9.281 1.00 0.00 C ATOM 0 H LEU A 63 16.021 -1.175 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 63 15.789 0.606 -7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 63 15.343 -1.920 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.897 -1.580 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 63 13.347 0.134 -8.926 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.220 -0.588 -11.141 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.536 -0.045 -10.073 1.00 0.00 H new ATOM 0 HD13 LEU A 63 15.263 -1.784 -10.336 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.217 -1.697 -10.202 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.238 -2.895 -9.371 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.054 -1.941 -8.446 1.00 0.00 H new ATOM 1086 N LEU A 64 13.878 0.942 -5.340 1.00 0.00 N ATOM 1087 CA LEU A 64 12.847 1.826 -4.723 1.00 0.00 C ATOM 1088 C LEU A 64 13.475 3.191 -4.463 1.00 0.00 C ATOM 1089 O LEU A 64 12.860 4.213 -4.654 1.00 0.00 O ATOM 1090 CB LEU A 64 12.372 1.205 -3.402 1.00 0.00 C ATOM 1091 CG LEU A 64 11.459 2.168 -2.630 1.00 0.00 C ATOM 1092 CD1 LEU A 64 10.306 2.645 -3.528 1.00 0.00 C ATOM 1093 CD2 LEU A 64 10.894 1.428 -1.412 1.00 0.00 C ATOM 0 H LEU A 64 14.315 0.279 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 64 11.991 1.936 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.837 0.277 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.235 0.947 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 64 12.030 3.040 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.667 3.327 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.712 3.161 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.721 1.786 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.242 2.097 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.324 0.561 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.714 1.099 -0.773 1.00 0.00 H new ATOM 1105 N ASP A 65 14.705 3.218 -4.037 1.00 0.00 N ATOM 1106 CA ASP A 65 15.374 4.525 -3.773 1.00 0.00 C ATOM 1107 C ASP A 65 15.173 5.446 -4.978 1.00 0.00 C ATOM 1108 O ASP A 65 15.151 6.653 -4.856 1.00 0.00 O ATOM 1109 CB ASP A 65 16.869 4.291 -3.555 1.00 0.00 C ATOM 1110 CG ASP A 65 17.518 5.573 -3.031 1.00 0.00 C ATOM 1111 OD1 ASP A 65 17.018 6.639 -3.348 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.506 5.466 -2.322 1.00 0.00 O ATOM 0 H ASP A 65 15.278 2.393 -3.859 1.00 0.00 H new ATOM 0 HA ASP A 65 14.944 4.987 -2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.020 3.478 -2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.340 3.989 -4.490 1.00 0.00 H new ATOM 1117 N GLN A 66 15.022 4.874 -6.142 1.00 0.00 N ATOM 1118 CA GLN A 66 14.815 5.706 -7.364 1.00 0.00 C ATOM 1119 C GLN A 66 13.361 6.180 -7.426 1.00 0.00 C ATOM 1120 O GLN A 66 13.085 7.323 -7.732 1.00 0.00 O ATOM 1121 CB GLN A 66 15.138 4.871 -8.610 1.00 0.00 C ATOM 1122 CG GLN A 66 15.223 5.783 -9.841 1.00 0.00 C ATOM 1123 CD GLN A 66 16.517 6.603 -9.800 1.00 0.00 C ATOM 1124 OE1 GLN A 66 16.755 7.421 -10.666 1.00 0.00 O ATOM 1125 NE2 GLN A 66 17.368 6.419 -8.828 1.00 0.00 N ATOM 0 H GLN A 66 15.033 3.866 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 66 15.473 6.574 -7.327 1.00 0.00 H new ATOM 0 HB2 GLN A 66 16.082 4.344 -8.471 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.369 4.113 -8.760 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.192 5.183 -10.751 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.361 6.450 -9.869 1.00 0.00 H new ATOM 0 HE21 GLN A 66 17.170 5.733 -8.100 1.00 0.00 H new ATOM 0 HE22 GLN A 66 18.231 6.962 -8.796 1.00 0.00 H new ATOM 1134 N LYS A 67 12.428 5.313 -7.141 1.00 0.00 N ATOM 1135 CA LYS A 67 10.990 5.719 -7.187 1.00 0.00 C ATOM 1136 C LYS A 67 10.643 6.482 -5.906 1.00 0.00 C ATOM 1137 O LYS A 67 10.146 7.591 -5.944 1.00 0.00 O ATOM 1138 CB LYS A 67 10.111 4.469 -7.300 1.00 0.00 C ATOM 1139 CG LYS A 67 10.360 3.784 -8.649 1.00 0.00 C ATOM 1140 CD LYS A 67 9.283 2.720 -8.904 1.00 0.00 C ATOM 1141 CE LYS A 67 9.389 1.588 -7.868 1.00 0.00 C ATOM 1142 NZ LYS A 67 8.719 2.006 -6.606 1.00 0.00 N ATOM 0 H LYS A 67 12.597 4.342 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 67 10.814 6.360 -8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.334 3.781 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.060 4.742 -7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.349 4.524 -9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.348 3.323 -8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.294 3.176 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.396 2.313 -9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.925 0.681 -8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.436 1.353 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.434 2.145 -5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.206 2.897 -6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.049 1.268 -6.308 1.00 0.00 H new ATOM 1156 N TYR A 68 10.918 5.899 -4.773 1.00 0.00 N ATOM 1157 CA TYR A 68 10.630 6.578 -3.474 1.00 0.00 C ATOM 1158 C TYR A 68 11.211 7.997 -3.523 1.00 0.00 C ATOM 1159 O TYR A 68 10.603 8.949 -3.081 1.00 0.00 O ATOM 1160 CB TYR A 68 11.278 5.760 -2.335 1.00 0.00 C ATOM 1161 CG TYR A 68 11.493 6.622 -1.108 1.00 0.00 C ATOM 1162 CD1 TYR A 68 12.644 7.413 -1.012 1.00 0.00 C ATOM 1163 CD2 TYR A 68 10.549 6.632 -0.077 1.00 0.00 C ATOM 1164 CE1 TYR A 68 12.850 8.215 0.113 1.00 0.00 C ATOM 1165 CE2 TYR A 68 10.755 7.435 1.051 1.00 0.00 C ATOM 1166 CZ TYR A 68 11.906 8.227 1.146 1.00 0.00 C ATOM 1167 OH TYR A 68 12.108 9.018 2.258 1.00 0.00 O ATOM 0 H TYR A 68 11.334 4.972 -4.688 1.00 0.00 H new ATOM 0 HA TYR A 68 9.557 6.642 -3.296 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.641 4.912 -2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.232 5.353 -2.671 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.373 7.403 -1.808 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.662 6.021 -0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 68 13.738 8.826 0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.026 7.444 1.848 1.00 0.00 H new ATOM 0 HH TYR A 68 12.392 8.458 3.011 1.00 0.00 H new ATOM 1177 N ALA A 69 12.381 8.141 -4.068 1.00 0.00 N ATOM 1178 CA ALA A 69 12.993 9.491 -4.162 1.00 0.00 C ATOM 1179 C ALA A 69 12.007 10.428 -4.869 1.00 0.00 C ATOM 1180 O ALA A 69 11.961 11.614 -4.612 1.00 0.00 O ATOM 1181 CB ALA A 69 14.296 9.392 -4.967 1.00 0.00 C ATOM 0 H ALA A 69 12.942 7.381 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 69 13.215 9.881 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.753 10.379 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.983 8.711 -4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.078 9.016 -5.967 1.00 0.00 H new ATOM 1187 N GLU A 70 11.210 9.888 -5.759 1.00 0.00 N ATOM 1188 CA GLU A 70 10.210 10.714 -6.496 1.00 0.00 C ATOM 1189 C GLU A 70 8.865 10.678 -5.761 1.00 0.00 C ATOM 1190 O GLU A 70 8.290 11.701 -5.446 1.00 0.00 O ATOM 1191 CB GLU A 70 10.034 10.139 -7.905 1.00 0.00 C ATOM 1192 CG GLU A 70 11.287 10.422 -8.739 1.00 0.00 C ATOM 1193 CD GLU A 70 11.353 11.913 -9.078 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.313 12.480 -9.370 1.00 0.00 O ATOM 1195 OE2 GLU A 70 12.442 12.461 -9.041 1.00 0.00 O ATOM 0 H GLU A 70 11.212 8.899 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 70 10.558 11.745 -6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.857 9.065 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.160 10.582 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.178 10.125 -8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.268 9.831 -9.655 1.00 0.00 H new ATOM 1202 N TYR A 71 8.350 9.502 -5.505 1.00 0.00 N ATOM 1203 CA TYR A 71 7.031 9.392 -4.815 1.00 0.00 C ATOM 1204 C TYR A 71 7.185 9.662 -3.319 1.00 0.00 C ATOM 1205 O TYR A 71 6.390 10.360 -2.721 1.00 0.00 O ATOM 1206 CB TYR A 71 6.474 7.985 -5.030 1.00 0.00 C ATOM 1207 CG TYR A 71 6.177 7.780 -6.498 1.00 0.00 C ATOM 1208 CD1 TYR A 71 4.939 8.173 -7.020 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.137 7.200 -7.336 1.00 0.00 C ATOM 1210 CE1 TYR A 71 4.661 7.986 -8.380 1.00 0.00 C ATOM 1211 CE2 TYR A 71 6.858 7.013 -8.696 1.00 0.00 C ATOM 1212 CZ TYR A 71 5.620 7.405 -9.217 1.00 0.00 C ATOM 1213 OH TYR A 71 5.346 7.221 -10.557 1.00 0.00 O ATOM 0 H TYR A 71 8.788 8.612 -5.745 1.00 0.00 H new ATOM 0 HA TYR A 71 6.347 10.132 -5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.193 7.241 -4.686 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.567 7.848 -4.442 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.198 8.620 -6.374 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.092 6.897 -6.934 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.706 8.290 -8.783 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.599 6.566 -9.343 1.00 0.00 H new ATOM 0 HH TYR A 71 6.119 6.807 -10.995 1.00 0.00 H new ATOM 1223 N GLY A 72 8.196 9.117 -2.704 1.00 0.00 N ATOM 1224 CA GLY A 72 8.398 9.339 -1.238 1.00 0.00 C ATOM 1225 C GLY A 72 7.683 8.228 -0.468 1.00 0.00 C ATOM 1226 O GLY A 72 7.379 7.190 -1.020 1.00 0.00 O ATOM 0 H GLY A 72 8.896 8.525 -3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.462 9.339 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.006 10.313 -0.946 1.00 0.00 H new ATOM 1230 N PRO A 73 7.417 8.430 0.796 1.00 0.00 N ATOM 1231 CA PRO A 73 6.725 7.409 1.636 1.00 0.00 C ATOM 1232 C PRO A 73 5.309 7.090 1.133 1.00 0.00 C ATOM 1233 O PRO A 73 4.478 6.608 1.877 1.00 0.00 O ATOM 1234 CB PRO A 73 6.690 8.033 3.053 1.00 0.00 C ATOM 1235 CG PRO A 73 7.709 9.138 3.019 1.00 0.00 C ATOM 1236 CD PRO A 73 7.741 9.636 1.572 1.00 0.00 C ATOM 0 HA PRO A 73 7.248 6.453 1.609 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.698 8.418 3.290 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.935 7.294 3.816 1.00 0.00 H new ATOM 0 HG2 PRO A 73 7.436 9.942 3.703 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.689 8.775 3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.015 10.431 1.403 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.719 10.036 1.305 1.00 0.00 H new ATOM 1244 N LYS A 74 5.024 7.338 -0.121 1.00 0.00 N ATOM 1245 CA LYS A 74 3.664 7.025 -0.641 1.00 0.00 C ATOM 1246 C LYS A 74 3.623 5.544 -1.010 1.00 0.00 C ATOM 1247 O LYS A 74 3.532 5.181 -2.166 1.00 0.00 O ATOM 1248 CB LYS A 74 3.388 7.875 -1.882 1.00 0.00 C ATOM 1249 CG LYS A 74 3.102 9.323 -1.465 1.00 0.00 C ATOM 1250 CD LYS A 74 3.123 10.234 -2.700 1.00 0.00 C ATOM 1251 CE LYS A 74 1.990 9.851 -3.661 1.00 0.00 C ATOM 1252 NZ LYS A 74 1.750 10.973 -4.611 1.00 0.00 N ATOM 0 H LYS A 74 5.670 7.740 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 74 2.908 7.244 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.245 7.843 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.538 7.470 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.131 9.384 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.847 9.657 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.015 11.275 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.084 10.149 -3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.252 8.946 -4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.081 9.633 -3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.982 10.717 -5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.482 11.826 -4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.618 11.160 -5.153 1.00 0.00 H new ATOM 1266 N TRP A 75 3.701 4.689 -0.031 1.00 0.00 N ATOM 1267 CA TRP A 75 3.683 3.232 -0.303 1.00 0.00 C ATOM 1268 C TRP A 75 2.441 2.880 -1.124 1.00 0.00 C ATOM 1269 O TRP A 75 2.286 1.774 -1.601 1.00 0.00 O ATOM 1270 CB TRP A 75 3.676 2.470 1.029 1.00 0.00 C ATOM 1271 CG TRP A 75 4.545 3.172 2.033 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.119 3.635 3.230 1.00 0.00 C ATOM 1273 CD2 TRP A 75 5.969 3.504 1.957 1.00 0.00 C ATOM 1274 NE1 TRP A 75 5.186 4.199 3.903 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.344 4.148 3.161 1.00 0.00 C ATOM 1276 CE3 TRP A 75 6.963 3.306 0.982 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 7.652 4.577 3.390 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.280 3.740 1.208 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.624 4.372 2.410 1.00 0.00 C ATOM 0 H TRP A 75 3.777 4.942 0.954 1.00 0.00 H new ATOM 0 HA TRP A 75 4.570 2.949 -0.871 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.657 2.396 1.408 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.034 1.452 0.876 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.106 3.574 3.601 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.123 4.604 4.837 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.712 2.817 0.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 7.910 5.064 4.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.033 3.585 0.449 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.639 4.700 2.578 1.00 0.00 H new ATOM 1290 N ASN A 76 1.563 3.822 -1.294 1.00 0.00 N ATOM 1291 CA ASN A 76 0.331 3.567 -2.086 1.00 0.00 C ATOM 1292 C ASN A 76 0.711 3.417 -3.559 1.00 0.00 C ATOM 1293 O ASN A 76 0.151 2.612 -4.277 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.628 4.750 -1.914 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.250 4.710 -0.516 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -2.288 4.109 -0.318 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -0.657 5.330 0.467 1.00 0.00 N ATOM 0 H ASN A 76 1.645 4.766 -0.916 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.156 2.655 -1.742 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.093 5.689 -2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.410 4.710 -2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.064 5.310 1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.214 5.834 0.301 1.00 0.00 H new ATOM 1304 N LYS A 77 1.672 4.179 -4.010 1.00 0.00 N ATOM 1305 CA LYS A 77 2.111 4.080 -5.432 1.00 0.00 C ATOM 1306 C LYS A 77 3.140 2.956 -5.538 1.00 0.00 C ATOM 1307 O LYS A 77 3.174 2.216 -6.500 1.00 0.00 O ATOM 1308 CB LYS A 77 2.745 5.416 -5.860 1.00 0.00 C ATOM 1309 CG LYS A 77 1.653 6.421 -6.252 1.00 0.00 C ATOM 1310 CD LYS A 77 0.638 6.564 -5.112 1.00 0.00 C ATOM 1311 CE LYS A 77 -0.277 7.761 -5.384 1.00 0.00 C ATOM 1312 NZ LYS A 77 -1.186 7.966 -4.221 1.00 0.00 N ATOM 0 H LYS A 77 2.174 4.869 -3.451 1.00 0.00 H new ATOM 0 HA LYS A 77 1.262 3.867 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.345 5.820 -5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.419 5.254 -6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.101 7.389 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.149 6.087 -7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.045 5.654 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.158 6.699 -4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.320 8.657 -5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.860 7.589 -6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.808 8.779 -4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.764 7.113 -4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.621 8.149 -3.367 1.00 0.00 H new ATOM 1326 N ILE A 78 3.977 2.825 -4.547 1.00 0.00 N ATOM 1327 CA ILE A 78 5.003 1.752 -4.581 1.00 0.00 C ATOM 1328 C ILE A 78 4.307 0.389 -4.533 1.00 0.00 C ATOM 1329 O ILE A 78 4.521 -0.462 -5.372 1.00 0.00 O ATOM 1330 CB ILE A 78 5.928 1.905 -3.364 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.297 3.385 -3.165 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.204 1.082 -3.567 1.00 0.00 C ATOM 1333 CD1 ILE A 78 6.807 3.996 -4.474 1.00 0.00 C ATOM 0 H ILE A 78 3.993 3.416 -3.716 1.00 0.00 H new ATOM 0 HA ILE A 78 5.590 1.826 -5.496 1.00 0.00 H new ATOM 0 HB ILE A 78 5.404 1.543 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.426 3.938 -2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.062 3.474 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.853 1.197 -2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.943 0.031 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.725 1.432 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.062 5.043 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.692 3.454 -4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.030 3.926 -5.235 1.00 0.00 H new ATOM 1345 N SER A 79 3.473 0.179 -3.552 1.00 0.00 N ATOM 1346 CA SER A 79 2.761 -1.127 -3.446 1.00 0.00 C ATOM 1347 C SER A 79 2.059 -1.455 -4.765 1.00 0.00 C ATOM 1348 O SER A 79 1.823 -2.604 -5.081 1.00 0.00 O ATOM 1349 CB SER A 79 1.729 -1.061 -2.319 1.00 0.00 C ATOM 1350 OG SER A 79 0.611 -0.297 -2.751 1.00 0.00 O ATOM 0 H SER A 79 3.254 0.854 -2.820 1.00 0.00 H new ATOM 0 HA SER A 79 3.489 -1.909 -3.228 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.412 -2.066 -2.041 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.171 -0.610 -1.431 1.00 0.00 H new ATOM 0 HG SER A 79 0.748 0.645 -2.517 1.00 0.00 H new ATOM 1356 N LYS A 80 1.725 -0.462 -5.542 1.00 0.00 N ATOM 1357 CA LYS A 80 1.042 -0.731 -6.839 1.00 0.00 C ATOM 1358 C LYS A 80 2.088 -1.172 -7.859 1.00 0.00 C ATOM 1359 O LYS A 80 1.774 -1.782 -8.861 1.00 0.00 O ATOM 1360 CB LYS A 80 0.338 0.544 -7.327 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.962 0.750 -6.538 1.00 0.00 C ATOM 1362 CD LYS A 80 -1.535 2.145 -6.815 1.00 0.00 C ATOM 1363 CE LYS A 80 -1.726 2.346 -8.324 1.00 0.00 C ATOM 1364 NZ LYS A 80 -2.257 1.094 -8.933 1.00 0.00 N ATOM 0 H LYS A 80 1.895 0.522 -5.336 1.00 0.00 H new ATOM 0 HA LYS A 80 0.296 -1.516 -6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.994 1.405 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.120 0.466 -8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.690 -0.012 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.771 0.633 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.489 2.264 -6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.863 2.908 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.414 3.171 -8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.777 2.614 -8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.527 0.665 -9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.519 0.426 -8.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.096 1.316 -9.507 1.00 0.00 H new ATOM 1378 N PHE A 81 3.336 -0.872 -7.608 1.00 0.00 N ATOM 1379 CA PHE A 81 4.408 -1.280 -8.560 1.00 0.00 C ATOM 1380 C PHE A 81 4.831 -2.711 -8.217 1.00 0.00 C ATOM 1381 O PHE A 81 5.503 -3.373 -8.984 1.00 0.00 O ATOM 1382 CB PHE A 81 5.604 -0.313 -8.421 1.00 0.00 C ATOM 1383 CG PHE A 81 5.427 0.877 -9.352 1.00 0.00 C ATOM 1384 CD1 PHE A 81 5.467 0.681 -10.739 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.223 2.165 -8.836 1.00 0.00 C ATOM 1386 CE1 PHE A 81 5.303 1.767 -11.606 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.060 3.251 -9.705 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.100 3.052 -11.089 1.00 0.00 C ATOM 0 H PHE A 81 3.658 -0.362 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 81 4.050 -1.243 -9.589 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.685 0.031 -7.390 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.532 -0.834 -8.657 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.625 -0.310 -11.139 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.192 2.319 -7.768 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.333 1.614 -12.675 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.903 4.242 -9.306 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.974 3.890 -11.759 1.00 0.00 H new ATOM 1398 N LEU A 82 4.432 -3.191 -7.066 1.00 0.00 N ATOM 1399 CA LEU A 82 4.792 -4.584 -6.647 1.00 0.00 C ATOM 1400 C LEU A 82 3.607 -5.512 -6.934 1.00 0.00 C ATOM 1401 O LEU A 82 3.720 -6.460 -7.685 1.00 0.00 O ATOM 1402 CB LEU A 82 5.105 -4.600 -5.145 1.00 0.00 C ATOM 1403 CG LEU A 82 6.086 -3.470 -4.797 1.00 0.00 C ATOM 1404 CD1 LEU A 82 6.272 -3.412 -3.283 1.00 0.00 C ATOM 1405 CD2 LEU A 82 7.446 -3.721 -5.469 1.00 0.00 C ATOM 0 H LEU A 82 3.867 -2.674 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 82 5.668 -4.923 -7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.185 -4.482 -4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.533 -5.563 -4.865 1.00 0.00 H new ATOM 0 HG LEU A 82 5.682 -2.524 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.968 -2.611 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.311 -3.221 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.670 -4.363 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.132 -2.913 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.855 -4.669 -5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.316 -3.759 -6.551 1.00 0.00 H new ATOM 1417 N LYS A 83 2.471 -5.239 -6.345 1.00 0.00 N ATOM 1418 CA LYS A 83 1.268 -6.087 -6.573 1.00 0.00 C ATOM 1419 C LYS A 83 1.449 -7.404 -5.826 1.00 0.00 C ATOM 1420 O LYS A 83 0.665 -8.322 -5.964 1.00 0.00 O ATOM 1421 CB LYS A 83 1.091 -6.328 -8.089 1.00 0.00 C ATOM 1422 CG LYS A 83 -0.399 -6.443 -8.459 1.00 0.00 C ATOM 1423 CD LYS A 83 -0.556 -6.475 -9.989 1.00 0.00 C ATOM 1424 CE LYS A 83 -0.128 -5.129 -10.615 1.00 0.00 C ATOM 1425 NZ LYS A 83 -0.896 -4.908 -11.871 1.00 0.00 N ATOM 0 H LYS A 83 2.327 -4.455 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 83 0.372 -5.590 -6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.546 -5.509 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.613 -7.240 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.823 -7.347 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.952 -5.600 -8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.048 -7.282 -10.404 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.593 -6.688 -10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.311 -4.314 -9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.942 -5.135 -10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.612 -4.003 -12.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.700 -5.681 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.913 -4.885 -11.656 1.00 0.00 H new ATOM 1439 N ASN A 84 2.487 -7.491 -5.030 1.00 0.00 N ATOM 1440 CA ASN A 84 2.760 -8.735 -4.246 1.00 0.00 C ATOM 1441 C ASN A 84 2.951 -8.372 -2.768 1.00 0.00 C ATOM 1442 O ASN A 84 2.898 -9.223 -1.902 1.00 0.00 O ATOM 1443 CB ASN A 84 4.028 -9.404 -4.790 1.00 0.00 C ATOM 1444 CG ASN A 84 3.721 -10.073 -6.132 1.00 0.00 C ATOM 1445 OD1 ASN A 84 4.003 -11.240 -6.322 1.00 0.00 O ATOM 1446 ND2 ASN A 84 3.148 -9.377 -7.076 1.00 0.00 N ATOM 0 H ASN A 84 3.165 -6.742 -4.889 1.00 0.00 H new ATOM 0 HA ASN A 84 1.921 -9.425 -4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.818 -8.663 -4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.394 -10.144 -4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.937 -9.812 -7.974 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.912 -8.398 -6.916 1.00 0.00 H new ATOM 1453 N ARG A 85 3.159 -7.107 -2.477 1.00 0.00 N ATOM 1454 CA ARG A 85 3.341 -6.652 -1.057 1.00 0.00 C ATOM 1455 C ARG A 85 2.297 -5.583 -0.752 1.00 0.00 C ATOM 1456 O ARG A 85 1.484 -5.240 -1.588 1.00 0.00 O ATOM 1457 CB ARG A 85 4.754 -6.072 -0.866 1.00 0.00 C ATOM 1458 CG ARG A 85 5.814 -7.207 -0.836 1.00 0.00 C ATOM 1459 CD ARG A 85 6.325 -7.504 -2.251 1.00 0.00 C ATOM 1460 NE ARG A 85 7.221 -8.694 -2.217 1.00 0.00 N ATOM 1461 CZ ARG A 85 6.721 -9.887 -2.043 1.00 0.00 C ATOM 1462 NH1 ARG A 85 5.434 -10.041 -1.898 1.00 0.00 N ATOM 1463 NH2 ARG A 85 7.510 -10.926 -2.014 1.00 0.00 N ATOM 0 H ARG A 85 3.211 -6.361 -3.171 1.00 0.00 H new ATOM 0 HA ARG A 85 3.219 -7.497 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.980 -5.378 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.797 -5.503 0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.647 -6.917 -0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.378 -8.108 -0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.485 -7.687 -2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.864 -6.641 -2.643 1.00 0.00 H new ATOM 0 HE ARG A 85 8.228 -8.576 -2.330 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.817 -9.229 -1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.044 -10.974 -1.762 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.516 -10.805 -2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.120 -11.859 -1.878 1.00 0.00 H new ATOM 1477 N SER A 86 2.303 -5.072 0.453 1.00 0.00 N ATOM 1478 CA SER A 86 1.307 -4.039 0.859 1.00 0.00 C ATOM 1479 C SER A 86 2.032 -2.894 1.547 1.00 0.00 C ATOM 1480 O SER A 86 3.162 -3.007 1.963 1.00 0.00 O ATOM 1481 CB SER A 86 0.302 -4.660 1.836 1.00 0.00 C ATOM 1482 OG SER A 86 0.989 -5.527 2.729 1.00 0.00 O ATOM 0 H SER A 86 2.967 -5.332 1.182 1.00 0.00 H new ATOM 0 HA SER A 86 0.781 -3.669 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.211 -3.877 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.461 -5.213 1.288 1.00 0.00 H new ATOM 0 HG SER A 86 0.443 -5.671 3.530 1.00 0.00 H new ATOM 1488 N ASP A 87 1.369 -1.801 1.680 1.00 0.00 N ATOM 1489 CA ASP A 87 1.987 -0.632 2.347 1.00 0.00 C ATOM 1490 C ASP A 87 2.377 -1.033 3.764 1.00 0.00 C ATOM 1491 O ASP A 87 3.382 -0.604 4.295 1.00 0.00 O ATOM 1492 CB ASP A 87 0.986 0.523 2.387 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.352 0.020 2.931 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.491 -0.043 4.142 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -1.216 -0.293 2.129 1.00 0.00 O ATOM 0 H ASP A 87 0.413 -1.658 1.354 1.00 0.00 H new ATOM 0 HA ASP A 87 2.872 -0.310 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.367 1.327 3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.852 0.937 1.388 1.00 0.00 H new ATOM 1500 N ASN A 88 1.591 -1.871 4.372 1.00 0.00 N ATOM 1501 CA ASN A 88 1.911 -2.328 5.749 1.00 0.00 C ATOM 1502 C ASN A 88 3.243 -3.076 5.717 1.00 0.00 C ATOM 1503 O ASN A 88 3.985 -3.086 6.678 1.00 0.00 O ATOM 1504 CB ASN A 88 0.810 -3.265 6.247 1.00 0.00 C ATOM 1505 CG ASN A 88 -0.523 -2.513 6.286 1.00 0.00 C ATOM 1506 OD1 ASN A 88 -1.028 -2.097 5.262 1.00 0.00 O ATOM 1507 ND2 ASN A 88 -1.115 -2.320 7.432 1.00 0.00 N ATOM 0 H ASN A 88 0.737 -2.261 3.973 1.00 0.00 H new ATOM 0 HA ASN A 88 1.980 -1.471 6.420 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.731 -4.132 5.591 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.058 -3.639 7.240 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.003 -1.819 7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.690 -2.670 8.291 1.00 0.00 H new ATOM 1514 N ASN A 89 3.556 -3.696 4.607 1.00 0.00 N ATOM 1515 CA ASN A 89 4.839 -4.435 4.495 1.00 0.00 C ATOM 1516 C ASN A 89 5.942 -3.442 4.146 1.00 0.00 C ATOM 1517 O ASN A 89 7.005 -3.429 4.732 1.00 0.00 O ATOM 1518 CB ASN A 89 4.704 -5.460 3.368 1.00 0.00 C ATOM 1519 CG ASN A 89 6.051 -6.138 3.115 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.992 -5.504 2.682 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.181 -7.406 3.366 1.00 0.00 N ATOM 0 H ASN A 89 2.971 -3.719 3.772 1.00 0.00 H new ATOM 0 HA ASN A 89 5.080 -4.938 5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.955 -6.207 3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.358 -4.969 2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.074 -7.870 3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.390 -7.938 3.730 1.00 0.00 H new ATOM 1528 N ILE A 90 5.684 -2.617 3.179 1.00 0.00 N ATOM 1529 CA ILE A 90 6.686 -1.613 2.741 1.00 0.00 C ATOM 1530 C ILE A 90 6.891 -0.581 3.842 1.00 0.00 C ATOM 1531 O ILE A 90 7.990 -0.361 4.312 1.00 0.00 O ATOM 1532 CB ILE A 90 6.155 -0.923 1.488 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.805 -1.984 0.434 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.216 0.021 0.921 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.034 -1.364 -0.739 1.00 0.00 C ATOM 0 H ILE A 90 4.805 -2.594 2.663 1.00 0.00 H new ATOM 0 HA ILE A 90 7.638 -2.099 2.530 1.00 0.00 H new ATOM 0 HB ILE A 90 5.265 -0.348 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.719 -2.451 0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.206 -2.772 0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.828 0.509 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.467 0.776 1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.110 -0.548 0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.799 -2.138 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.109 -0.919 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.645 -0.594 -1.210 1.00 0.00 H new ATOM 1547 N ARG A 91 5.833 0.047 4.267 1.00 0.00 N ATOM 1548 CA ARG A 91 5.939 1.064 5.352 1.00 0.00 C ATOM 1549 C ARG A 91 6.700 0.452 6.525 1.00 0.00 C ATOM 1550 O ARG A 91 7.403 1.124 7.254 1.00 0.00 O ATOM 1551 CB ARG A 91 4.529 1.449 5.810 1.00 0.00 C ATOM 1552 CG ARG A 91 4.592 2.641 6.776 1.00 0.00 C ATOM 1553 CD ARG A 91 3.247 2.792 7.490 1.00 0.00 C ATOM 1554 NE ARG A 91 3.212 4.092 8.216 1.00 0.00 N ATOM 1555 CZ ARG A 91 2.200 4.383 8.988 1.00 0.00 C ATOM 1556 NH1 ARG A 91 1.219 3.534 9.125 1.00 0.00 N ATOM 1557 NH2 ARG A 91 2.170 5.523 9.623 1.00 0.00 N ATOM 0 H ARG A 91 4.890 -0.101 3.907 1.00 0.00 H new ATOM 0 HA ARG A 91 6.463 1.949 4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.915 1.704 4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.053 0.599 6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.388 2.490 7.505 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.830 3.553 6.229 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.432 2.745 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.100 1.969 8.189 1.00 0.00 H new ATOM 0 HE ARG A 91 3.979 4.756 8.110 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.243 2.643 8.629 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.428 3.761 9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.937 6.187 9.516 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.379 5.750 10.226 1.00 0.00 H new ATOM 1571 N ASN A 92 6.538 -0.825 6.713 1.00 0.00 N ATOM 1572 CA ASN A 92 7.218 -1.523 7.846 1.00 0.00 C ATOM 1573 C ASN A 92 8.647 -1.911 7.456 1.00 0.00 C ATOM 1574 O ASN A 92 9.561 -1.799 8.248 1.00 0.00 O ATOM 1575 CB ASN A 92 6.432 -2.787 8.197 1.00 0.00 C ATOM 1576 CG ASN A 92 7.123 -3.516 9.350 1.00 0.00 C ATOM 1577 OD1 ASN A 92 8.246 -3.960 9.218 1.00 0.00 O ATOM 1578 ND2 ASN A 92 6.496 -3.658 10.485 1.00 0.00 N ATOM 0 H ASN A 92 5.958 -1.425 6.126 1.00 0.00 H new ATOM 0 HA ASN A 92 7.257 -0.852 8.704 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.411 -2.527 8.477 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.367 -3.440 7.327 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.949 -4.141 11.261 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.553 -3.286 10.597 1.00 0.00 H new ATOM 1585 N ARG A 93 8.851 -2.384 6.255 1.00 0.00 N ATOM 1586 CA ARG A 93 10.229 -2.795 5.849 1.00 0.00 C ATOM 1587 C ARG A 93 11.075 -1.537 5.600 1.00 0.00 C ATOM 1588 O ARG A 93 12.196 -1.438 6.054 1.00 0.00 O ATOM 1589 CB ARG A 93 10.152 -3.667 4.567 1.00 0.00 C ATOM 1590 CG ARG A 93 10.086 -5.169 4.921 1.00 0.00 C ATOM 1591 CD ARG A 93 8.748 -5.505 5.597 1.00 0.00 C ATOM 1592 NE ARG A 93 8.872 -6.798 6.327 1.00 0.00 N ATOM 1593 CZ ARG A 93 7.818 -7.346 6.869 1.00 0.00 C ATOM 1594 NH1 ARG A 93 6.655 -6.764 6.770 1.00 0.00 N ATOM 1595 NH2 ARG A 93 7.928 -8.479 7.508 1.00 0.00 N ATOM 0 H ARG A 93 8.131 -2.503 5.543 1.00 0.00 H new ATOM 0 HA ARG A 93 10.694 -3.383 6.640 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.273 -3.388 3.986 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.023 -3.476 3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.204 -5.767 4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.911 -5.429 5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.468 -4.710 6.288 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.957 -5.571 4.850 1.00 0.00 H new ATOM 0 HE ARG A 93 9.781 -7.255 6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.568 -5.880 6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.832 -7.193 7.194 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.837 -8.936 7.584 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.105 -8.908 7.932 1.00 0.00 H new ATOM 1609 N TRP A 94 10.550 -0.579 4.892 1.00 0.00 N ATOM 1610 CA TRP A 94 11.333 0.660 4.630 1.00 0.00 C ATOM 1611 C TRP A 94 11.675 1.328 5.962 1.00 0.00 C ATOM 1612 O TRP A 94 12.739 1.888 6.131 1.00 0.00 O ATOM 1613 CB TRP A 94 10.505 1.620 3.774 1.00 0.00 C ATOM 1614 CG TRP A 94 11.352 2.789 3.380 1.00 0.00 C ATOM 1615 CD1 TRP A 94 12.006 2.911 2.202 1.00 0.00 C ATOM 1616 CD2 TRP A 94 11.646 3.996 4.140 1.00 0.00 C ATOM 1617 NE1 TRP A 94 12.684 4.117 2.191 1.00 0.00 N ATOM 1618 CE2 TRP A 94 12.493 4.822 3.363 1.00 0.00 C ATOM 1619 CE3 TRP A 94 11.266 4.451 5.415 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 12.945 6.055 3.835 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 11.719 5.691 5.893 1.00 0.00 C ATOM 1622 CH2 TRP A 94 12.557 6.491 5.104 1.00 0.00 C ATOM 0 H TRP A 94 9.615 -0.599 4.484 1.00 0.00 H new ATOM 0 HA TRP A 94 12.251 0.407 4.099 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.137 1.107 2.885 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.632 1.960 4.330 1.00 0.00 H new ATOM 0 HD1 TRP A 94 12.000 2.186 1.402 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.255 4.445 1.412 1.00 0.00 H new ATOM 0 HE3 TRP A 94 10.621 3.842 6.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 13.590 6.668 3.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 11.420 6.030 6.874 1.00 0.00 H new ATOM 0 HH2 TRP A 94 12.902 7.444 5.477 1.00 0.00 H new ATOM 1633 N MET A 95 10.781 1.273 6.911 1.00 0.00 N ATOM 1634 CA MET A 95 11.055 1.904 8.233 1.00 0.00 C ATOM 1635 C MET A 95 12.146 1.116 8.960 1.00 0.00 C ATOM 1636 O MET A 95 12.977 1.678 9.646 1.00 0.00 O ATOM 1637 CB MET A 95 9.778 1.901 9.074 1.00 0.00 C ATOM 1638 CG MET A 95 10.028 2.649 10.385 1.00 0.00 C ATOM 1639 SD MET A 95 8.458 2.882 11.255 1.00 0.00 S ATOM 1640 CE MET A 95 9.123 3.760 12.691 1.00 0.00 C ATOM 0 H MET A 95 9.872 0.818 6.828 1.00 0.00 H new ATOM 0 HA MET A 95 11.389 2.931 8.082 1.00 0.00 H new ATOM 0 HB2 MET A 95 8.966 2.374 8.522 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.469 0.877 9.281 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.723 2.087 11.010 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.491 3.615 10.183 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.311 4.007 13.375 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.847 3.126 13.202 1.00 0.00 H new ATOM 0 HE3 MET A 95 9.612 4.677 12.362 1.00 0.00 H new ATOM 1650 N MET A 96 12.156 -0.183 8.814 1.00 0.00 N ATOM 1651 CA MET A 96 13.195 -1.008 9.492 1.00 0.00 C ATOM 1652 C MET A 96 14.484 -0.941 8.677 1.00 0.00 C ATOM 1653 O MET A 96 15.575 -0.987 9.210 1.00 0.00 O ATOM 1654 CB MET A 96 12.714 -2.460 9.580 1.00 0.00 C ATOM 1655 CG MET A 96 13.644 -3.256 10.499 1.00 0.00 C ATOM 1656 SD MET A 96 13.394 -2.733 12.214 1.00 0.00 S ATOM 1657 CE MET A 96 12.042 -3.869 12.612 1.00 0.00 C ATOM 0 H MET A 96 11.486 -0.708 8.252 1.00 0.00 H new ATOM 0 HA MET A 96 13.375 -0.630 10.498 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.694 -2.493 9.962 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.697 -2.909 8.587 1.00 0.00 H new ATOM 0 HG2 MET A 96 13.444 -4.323 10.400 1.00 0.00 H new ATOM 0 HG3 MET A 96 14.682 -3.098 10.208 1.00 0.00 H new ATOM 0 HE1 MET A 96 11.728 -3.713 13.644 1.00 0.00 H new ATOM 0 HE2 MET A 96 11.201 -3.682 11.944 1.00 0.00 H new ATOM 0 HE3 MET A 96 12.382 -4.897 12.487 1.00 0.00 H new ATOM 1667 N ILE A 97 14.362 -0.833 7.380 1.00 0.00 N ATOM 1668 CA ILE A 97 15.568 -0.762 6.510 1.00 0.00 C ATOM 1669 C ILE A 97 16.065 0.684 6.453 1.00 0.00 C ATOM 1670 O ILE A 97 17.239 0.939 6.272 1.00 0.00 O ATOM 1671 CB ILE A 97 15.207 -1.245 5.100 1.00 0.00 C ATOM 1672 CG1 ILE A 97 14.807 -2.725 5.160 1.00 0.00 C ATOM 1673 CG2 ILE A 97 16.417 -1.079 4.171 1.00 0.00 C ATOM 1674 CD1 ILE A 97 14.173 -3.140 3.831 1.00 0.00 C ATOM 0 H ILE A 97 13.471 -0.791 6.885 1.00 0.00 H new ATOM 0 HA ILE A 97 16.355 -1.398 6.916 1.00 0.00 H new ATOM 0 HB ILE A 97 14.375 -0.655 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 97 15.683 -3.341 5.365 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.104 -2.889 5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 97 16.157 -1.423 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.703 -0.028 4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.252 -1.668 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 97 13.890 -4.192 3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.287 -2.533 3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.890 -2.992 3.024 1.00 0.00 H new ATOM 1686 N ALA A 98 15.182 1.631 6.614 1.00 0.00 N ATOM 1687 CA ALA A 98 15.607 3.055 6.577 1.00 0.00 C ATOM 1688 C ALA A 98 16.538 3.312 7.757 1.00 0.00 C ATOM 1689 O ALA A 98 17.254 4.293 7.798 1.00 0.00 O ATOM 1690 CB ALA A 98 14.378 3.964 6.677 1.00 0.00 C ATOM 0 H ALA A 98 14.186 1.478 6.769 1.00 0.00 H new ATOM 0 HA ALA A 98 16.124 3.267 5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 98 14.694 5.007 6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.709 3.765 5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.855 3.768 7.613 1.00 0.00 H new ATOM 1696 N ARG A 99 16.534 2.431 8.719 1.00 0.00 N ATOM 1697 CA ARG A 99 17.416 2.613 9.894 1.00 0.00 C ATOM 1698 C ARG A 99 18.856 2.351 9.467 1.00 0.00 C ATOM 1699 O ARG A 99 19.794 2.781 10.107 1.00 0.00 O ATOM 1700 CB ARG A 99 17.017 1.629 11.001 1.00 0.00 C ATOM 1701 CG ARG A 99 15.698 2.076 11.635 1.00 0.00 C ATOM 1702 CD ARG A 99 15.222 1.011 12.625 1.00 0.00 C ATOM 1703 NE ARG A 99 16.310 0.722 13.602 1.00 0.00 N ATOM 1704 CZ ARG A 99 16.237 -0.334 14.369 1.00 0.00 C ATOM 1705 NH1 ARG A 99 15.211 -1.137 14.278 1.00 0.00 N ATOM 1706 NH2 ARG A 99 17.190 -0.586 15.224 1.00 0.00 N ATOM 0 H ARG A 99 15.954 1.592 8.737 1.00 0.00 H new ATOM 0 HA ARG A 99 17.320 3.629 10.276 1.00 0.00 H new ATOM 0 HB2 ARG A 99 16.912 0.625 10.589 1.00 0.00 H new ATOM 0 HB3 ARG A 99 17.799 1.582 11.759 1.00 0.00 H new ATOM 0 HG2 ARG A 99 15.832 3.029 12.146 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.945 2.232 10.862 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.331 1.357 13.148 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.945 0.101 12.092 1.00 0.00 H new ATOM 0 HE ARG A 99 17.112 1.349 13.672 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.467 -0.940 13.609 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.154 -1.961 14.876 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.992 0.041 15.294 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.133 -1.410 15.823 1.00 0.00 H new ATOM 1720 N HIS A 100 19.034 1.653 8.378 1.00 0.00 N ATOM 1721 CA HIS A 100 20.405 1.365 7.894 1.00 0.00 C ATOM 1722 C HIS A 100 20.937 2.612 7.200 1.00 0.00 C ATOM 1723 O HIS A 100 22.097 2.956 7.307 1.00 0.00 O ATOM 1724 CB HIS A 100 20.364 0.204 6.901 1.00 0.00 C ATOM 1725 CG HIS A 100 21.767 -0.216 6.559 1.00 0.00 C ATOM 1726 ND1 HIS A 100 22.721 0.686 6.107 1.00 0.00 N ATOM 1727 CD2 HIS A 100 22.395 -1.437 6.597 1.00 0.00 C ATOM 1728 CE1 HIS A 100 23.860 0.000 5.893 1.00 0.00 C ATOM 1729 NE2 HIS A 100 23.712 -1.295 6.177 1.00 0.00 N ATOM 0 H HIS A 100 18.283 1.270 7.804 1.00 0.00 H new ATOM 0 HA HIS A 100 21.051 1.093 8.729 1.00 0.00 H new ATOM 0 HB2 HIS A 100 19.816 -0.635 7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 100 19.833 0.503 5.998 1.00 0.00 H new ATOM 0 HD1 HIS A 100 22.584 1.686 5.963 1.00 0.00 H new ATOM 0 HD2 HIS A 100 21.936 -2.365 6.906 1.00 0.00 H new ATOM 0 HE1 HIS A 100 24.778 0.443 5.536 1.00 0.00 H new ATOM 1738 N ARG A 101 20.081 3.300 6.492 1.00 0.00 N ATOM 1739 CA ARG A 101 20.510 4.538 5.789 1.00 0.00 C ATOM 1740 C ARG A 101 20.484 5.704 6.778 1.00 0.00 C ATOM 1741 O ARG A 101 21.156 6.700 6.600 1.00 0.00 O ATOM 1742 CB ARG A 101 19.549 4.829 4.633 1.00 0.00 C ATOM 1743 CG ARG A 101 19.581 3.663 3.640 1.00 0.00 C ATOM 1744 CD ARG A 101 18.462 3.824 2.605 1.00 0.00 C ATOM 1745 NE ARG A 101 18.791 4.950 1.676 1.00 0.00 N ATOM 1746 CZ ARG A 101 18.432 6.179 1.955 1.00 0.00 C ATOM 1747 NH1 ARG A 101 17.783 6.446 3.056 1.00 0.00 N ATOM 1748 NH2 ARG A 101 18.728 7.145 1.127 1.00 0.00 N ATOM 0 H ARG A 101 19.098 3.054 6.372 1.00 0.00 H new ATOM 0 HA ARG A 101 21.518 4.408 5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 101 18.537 4.970 5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 101 19.833 5.755 4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 101 20.548 3.628 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 101 19.463 2.719 4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.339 2.899 2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 101 17.515 4.019 3.107 1.00 0.00 H new ATOM 0 HE ARG A 101 19.302 4.758 0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 101 17.552 5.695 3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.507 7.405 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.237 6.941 0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 101 18.450 8.103 1.341 1.00 0.00 H new ATOM 1762 N ALA A 102 19.711 5.581 7.823 1.00 0.00 N ATOM 1763 CA ALA A 102 19.637 6.677 8.831 1.00 0.00 C ATOM 1764 C ALA A 102 20.929 6.698 9.649 1.00 0.00 C ATOM 1765 O ALA A 102 21.067 7.453 10.592 1.00 0.00 O ATOM 1766 CB ALA A 102 18.446 6.436 9.761 1.00 0.00 C ATOM 0 H ALA A 102 19.127 4.769 8.022 1.00 0.00 H new ATOM 0 HA ALA A 102 19.511 7.633 8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 102 18.392 7.237 10.498 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.526 6.418 9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 102 18.571 5.481 10.272 1.00 0.00 H new ATOM 1772 N LYS A 103 21.880 5.878 9.290 1.00 0.00 N ATOM 1773 CA LYS A 103 23.168 5.845 10.031 1.00 0.00 C ATOM 1774 C LYS A 103 24.053 6.982 9.525 1.00 0.00 C ATOM 1775 O LYS A 103 25.065 7.307 10.113 1.00 0.00 O ATOM 1776 CB LYS A 103 23.855 4.501 9.772 1.00 0.00 C ATOM 1777 CG LYS A 103 23.141 3.396 10.555 1.00 0.00 C ATOM 1778 CD LYS A 103 23.793 2.047 10.244 1.00 0.00 C ATOM 1779 CE LYS A 103 23.241 0.982 11.194 1.00 0.00 C ATOM 1780 NZ LYS A 103 23.718 1.256 12.579 1.00 0.00 N ATOM 0 H LYS A 103 21.816 5.226 8.509 1.00 0.00 H new ATOM 0 HA LYS A 103 22.995 5.964 11.101 1.00 0.00 H new ATOM 0 HB2 LYS A 103 23.839 4.273 8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 103 24.902 4.553 10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 103 23.195 3.600 11.624 1.00 0.00 H new ATOM 0 HG3 LYS A 103 22.084 3.371 10.288 1.00 0.00 H new ATOM 0 HD2 LYS A 103 23.595 1.765 9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 103 24.875 2.121 10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 103 22.151 0.984 11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 103 23.566 -0.008 10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 23.723 0.371 13.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 24.681 1.647 12.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 23.083 1.942 13.036 1.00 0.00 H new ATOM 1794 N HIS A 104 23.675 7.589 8.432 1.00 0.00 N ATOM 1795 CA HIS A 104 24.484 8.708 7.877 1.00 0.00 C ATOM 1796 C HIS A 104 23.606 9.571 6.970 1.00 0.00 C ATOM 1797 O HIS A 104 23.856 10.745 6.780 1.00 0.00 O ATOM 1798 CB HIS A 104 25.651 8.141 7.067 1.00 0.00 C ATOM 1799 CG HIS A 104 25.118 7.303 5.937 1.00 0.00 C ATOM 1800 ND1 HIS A 104 24.392 7.852 4.888 1.00 0.00 N ATOM 1801 CD2 HIS A 104 25.196 5.957 5.675 1.00 0.00 C ATOM 1802 CE1 HIS A 104 24.065 6.848 4.052 1.00 0.00 C ATOM 1803 NE2 HIS A 104 24.532 5.676 4.487 1.00 0.00 N ATOM 0 H HIS A 104 22.837 7.356 7.899 1.00 0.00 H new ATOM 0 HA HIS A 104 24.871 9.317 8.694 1.00 0.00 H new ATOM 0 HB2 HIS A 104 26.263 8.953 6.674 1.00 0.00 H new ATOM 0 HB3 HIS A 104 26.294 7.539 7.709 1.00 0.00 H new ATOM 0 HD2 HIS A 104 25.696 5.229 6.297 1.00 0.00 H new ATOM 0 HE1 HIS A 104 23.496 6.975 3.143 1.00 0.00 H new ATOM 0 HE2 HIS A 104 24.424 4.765 4.041 1.00 0.00 H new ATOM 1812 N GLN A 105 22.575 9.000 6.409 1.00 0.00 N ATOM 1813 CA GLN A 105 21.681 9.791 5.518 1.00 0.00 C ATOM 1814 C GLN A 105 20.882 10.784 6.367 1.00 0.00 C ATOM 1815 O GLN A 105 20.495 11.840 5.907 1.00 0.00 O ATOM 1816 CB GLN A 105 20.722 8.840 4.787 1.00 0.00 C ATOM 1817 CG GLN A 105 20.000 9.575 3.649 1.00 0.00 C ATOM 1818 CD GLN A 105 18.936 10.513 4.226 1.00 0.00 C ATOM 1819 OE1 GLN A 105 18.848 11.662 3.840 1.00 0.00 O ATOM 1820 NE2 GLN A 105 18.118 10.068 5.140 1.00 0.00 N ATOM 0 H GLN A 105 22.314 8.021 6.529 1.00 0.00 H new ATOM 0 HA GLN A 105 22.274 10.336 4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 105 21.277 7.992 4.386 1.00 0.00 H new ATOM 0 HB3 GLN A 105 19.992 8.439 5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 105 20.718 10.145 3.059 1.00 0.00 H new ATOM 0 HG3 GLN A 105 19.535 8.854 2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 105 18.191 9.104 5.464 1.00 0.00 H new ATOM 0 HE22 GLN A 105 17.405 10.684 5.530 1.00 0.00 H new ATOM 1829 N LYS A 106 20.638 10.453 7.605 1.00 0.00 N ATOM 1830 CA LYS A 106 19.869 11.377 8.486 1.00 0.00 C ATOM 1831 C LYS A 106 20.590 12.723 8.568 1.00 0.00 C ATOM 1832 O LYS A 106 20.023 13.718 8.974 1.00 0.00 O ATOM 1833 CB LYS A 106 19.760 10.770 9.887 1.00 0.00 C ATOM 1834 CG LYS A 106 18.860 11.650 10.757 1.00 0.00 C ATOM 1835 CD LYS A 106 18.553 10.926 12.069 1.00 0.00 C ATOM 1836 CE LYS A 106 17.681 11.819 12.954 1.00 0.00 C ATOM 1837 NZ LYS A 106 18.486 12.975 13.439 1.00 0.00 N ATOM 0 H LYS A 106 20.938 9.583 8.045 1.00 0.00 H new ATOM 0 HA LYS A 106 18.871 11.525 8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 106 19.351 9.761 9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 106 20.749 10.687 10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 106 19.351 12.602 10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 106 17.934 11.876 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 106 18.040 9.986 11.866 1.00 0.00 H new ATOM 0 HD3 LYS A 106 19.480 10.679 12.586 1.00 0.00 H new ATOM 0 HE2 LYS A 106 16.817 12.174 12.392 1.00 0.00 H new ATOM 0 HE3 LYS A 106 17.298 11.248 13.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 18.007 13.416 14.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 19.427 12.644 13.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 18.587 13.673 12.675 1.00 0.00 H new ATOM 1851 N SER A 107 21.837 12.763 8.183 1.00 0.00 N ATOM 1852 CA SER A 107 22.592 14.047 8.240 1.00 0.00 C ATOM 1853 C SER A 107 21.975 15.045 7.258 1.00 0.00 C ATOM 1854 O SER A 107 21.359 15.993 7.717 1.00 0.00 O ATOM 1855 CB SER A 107 24.052 13.796 7.861 1.00 0.00 C ATOM 1856 OG SER A 107 24.125 13.433 6.489 1.00 0.00 O ATOM 1857 OXT SER A 107 22.130 14.845 6.065 1.00 0.00 O ATOM 0 H SER A 107 22.364 11.964 7.832 1.00 0.00 H new ATOM 0 HA SER A 107 22.543 14.453 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 107 24.646 14.691 8.044 1.00 0.00 H new ATOM 0 HB3 SER A 107 24.470 13.003 8.482 1.00 0.00 H new ATOM 0 HG SER A 107 23.743 14.149 5.940 1.00 0.00 H new TER 1863 SER A 107