USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1061 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 73 CYS SG : rot 22:sc= 1.01 USER MOD Set 1.2: A 91 HIS : no HD1:sc= 0.61 K(o=3.3,f=-7.7!) USER MOD Set 1.3: A 115 HIS : no HD1:sc= -0.106 K(o=3.3,f=0.79) USER MOD Set 1.4: A 116 THR OG1 : rot -100:sc= 1.79 USER MOD Set 2.1: A 40 TYR OH : rot 39:sc= 0.829 USER MOD Set 2.2: A 89 MET CE :methyl -167:sc= -0.61 (180deg=-1.23) USER MOD Set 3.1: A 82 HIS : no HE2:sc= -0.42 K(o=0.58,f=-7.9!) USER MOD Set 3.2: A 88 SER OG : rot 159:sc= 1 USER MOD Set 4.1: A 54 SER OG : rot 180:sc= 0.59 USER MOD Set 4.2: A 105 HIS : no HD1:sc= 0.721 K(o=1.3,f=-13!) USER MOD Set 5.1: A 9 MET CE :methyl -171:sc= -0.278 (180deg=-0.451) USER MOD Set 5.2: A 131 MET CE :methyl -127:sc= 0 (180deg=-1.14) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0173 (180deg=-0.301) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0965 (180deg=-0.221) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc= 1.08 (180deg=0.921) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 165:sc= -0.607 USER MOD Single : A 11 ASN : amide:sc= -0.0341 K(o=-0.034,f=-1.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc=-0.00616 X(o=-0.0062,f=0) USER MOD Single : A 27 THR OG1 : rot 74:sc= 0.696 USER MOD Single : A 30 ASN : amide:sc= -0.0328 K(o=-0.033,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.53 K(o=1.5,f=-6.1!) USER MOD Single : A 41 ASN : amide:sc= -1.78! C(o=-1.8!,f=-8.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0644 USER MOD Single : A 46 HIS : no HD1:sc= -0.269 K(o=-0.27,f=-4.3!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 26:sc= 0.674 USER MOD Single : A 62 ASN : amide:sc=-0.00588 X(o=-0.0059,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0142 K(o=-0.014,f=-1.7!) USER MOD Single : A 78 ASN : amide:sc= -0.0126 K(o=-0.013,f=-11!) USER MOD Single : A 80 HIS : no HD1:sc= 0.285 K(o=0.29,f=-4.5!) USER MOD Single : A 84 THR OG1 : rot -66:sc= 0.852 USER MOD Single : A 87 MET CE :methyl 168:sc= 0 (180deg=-0.152) USER MOD Single : A 96 THR OG1 : rot 76:sc= 0.532 USER MOD Single : A 98 SER OG : rot -170:sc= 0.0952 USER MOD Single : A 99 CYS SG : rot 160:sc= 0.00686 USER MOD Single : A 100 GLN : amide:sc= 0.875 K(o=0.87,f=-0.69) USER MOD Single : A 108 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.38) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 GLN : amide:sc= 0.529 K(o=0.53,f=-0.93) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl -167:sc= -0.0849 (180deg=-0.424) USER MOD Single : A 130 THR OG1 : rot -73:sc= 1.29 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.639 K(o=-0.64,f=-7.8!) USER MOD Single : A 137 MET CE :methyl -177:sc= -0.554 (180deg=-0.607) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 164:sc= 1.07 (180deg=0.679) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.356 4.558 -14.307 1.00 0.00 N ATOM 2 CA MET A 1 -7.251 3.114 -14.137 1.00 0.00 C ATOM 3 C MET A 1 -6.614 2.762 -12.798 1.00 0.00 C ATOM 4 O MET A 1 -6.268 3.645 -12.014 1.00 0.00 O ATOM 5 CB MET A 1 -6.448 2.504 -15.285 1.00 0.00 C ATOM 6 CG MET A 1 -7.075 2.691 -16.659 1.00 0.00 C ATOM 7 SD MET A 1 -8.681 1.882 -16.807 1.00 0.00 S ATOM 8 CE MET A 1 -8.196 0.159 -16.779 1.00 0.00 C ATOM 0 H1 MET A 1 -8.337 4.809 -14.543 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.080 5.033 -13.424 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.726 4.864 -15.076 1.00 0.00 H new ATOM 0 HA MET A 1 -8.258 2.697 -14.149 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.452 2.946 -15.290 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.323 1.437 -15.098 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.189 3.756 -16.860 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.401 2.294 -17.418 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.026 -0.458 -17.124 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.337 0.012 -17.434 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.930 -0.127 -15.762 1.00 0.00 H new ATOM 18 N ALA A 2 -6.464 1.467 -12.542 1.00 0.00 N ATOM 19 CA ALA A 2 -5.838 0.996 -11.312 1.00 0.00 C ATOM 20 C ALA A 2 -4.325 1.151 -11.372 1.00 0.00 C ATOM 21 O ALA A 2 -3.758 1.419 -12.431 1.00 0.00 O ATOM 22 CB ALA A 2 -6.213 -0.455 -11.049 1.00 0.00 C ATOM 0 H ALA A 2 -6.768 0.724 -13.171 1.00 0.00 H new ATOM 0 HA ALA A 2 -6.207 1.609 -10.489 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.738 -0.792 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.295 -0.539 -10.951 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.874 -1.075 -11.879 1.00 0.00 H new ATOM 28 N LYS A 3 -3.672 0.979 -10.226 1.00 0.00 N ATOM 29 CA LYS A 3 -2.220 1.086 -10.148 1.00 0.00 C ATOM 30 C LYS A 3 -1.658 0.173 -9.067 1.00 0.00 C ATOM 31 O LYS A 3 -2.391 -0.302 -8.198 1.00 0.00 O ATOM 32 CB LYS A 3 -1.803 2.534 -9.884 1.00 0.00 C ATOM 33 CG LYS A 3 -2.368 3.126 -8.601 1.00 0.00 C ATOM 34 CD LYS A 3 -2.043 4.609 -8.487 1.00 0.00 C ATOM 35 CE LYS A 3 -2.850 5.430 -9.481 1.00 0.00 C ATOM 36 NZ LYS A 3 -2.700 6.893 -9.245 1.00 0.00 N ATOM 0 H LYS A 3 -4.127 0.765 -9.338 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.810 0.770 -11.107 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.715 2.585 -9.845 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.121 3.150 -10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.449 2.985 -8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -1.959 2.595 -7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.252 4.952 -7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.979 4.765 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.528 5.191 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.903 5.157 -9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.046 7.416 -10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.252 7.168 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.697 7.118 -9.088 1.00 0.00 H new ATOM 50 N LYS A 4 -0.354 -0.071 -9.124 1.00 0.00 N ATOM 51 CA LYS A 4 0.300 -0.969 -8.181 1.00 0.00 C ATOM 52 C LYS A 4 1.531 -0.320 -7.563 1.00 0.00 C ATOM 53 O LYS A 4 1.910 0.792 -7.933 1.00 0.00 O ATOM 54 CB LYS A 4 0.687 -2.280 -8.869 1.00 0.00 C ATOM 55 CG LYS A 4 -0.484 -3.041 -9.475 1.00 0.00 C ATOM 56 CD LYS A 4 -0.036 -4.371 -10.060 1.00 0.00 C ATOM 57 CE LYS A 4 -1.205 -5.132 -10.670 1.00 0.00 C ATOM 58 NZ LYS A 4 -0.820 -6.510 -11.078 1.00 0.00 N ATOM 0 H LYS A 4 0.272 0.342 -9.815 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.409 -1.184 -7.381 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.410 -2.064 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.187 -2.923 -8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.242 -3.214 -8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.949 -2.437 -10.254 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.724 -4.197 -10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.426 -4.976 -9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.021 -5.182 -9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.579 -4.588 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.644 -6.994 -11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.059 -6.463 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.487 -7.038 -10.246 1.00 0.00 H new ATOM 72 N GLY A 5 2.154 -1.019 -6.620 1.00 0.00 N ATOM 73 CA GLY A 5 3.373 -0.534 -5.985 1.00 0.00 C ATOM 74 C GLY A 5 4.194 -1.684 -5.416 1.00 0.00 C ATOM 75 O GLY A 5 3.743 -2.829 -5.394 1.00 0.00 O ATOM 0 H GLY A 5 1.834 -1.925 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.970 0.017 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.118 0.163 -5.187 1.00 0.00 H new ATOM 79 N TYR A 6 5.402 -1.372 -4.957 1.00 0.00 N ATOM 80 CA TYR A 6 6.316 -2.390 -4.455 1.00 0.00 C ATOM 81 C TYR A 6 7.176 -1.846 -3.322 1.00 0.00 C ATOM 82 O TYR A 6 7.800 -0.792 -3.453 1.00 0.00 O ATOM 83 CB TYR A 6 7.201 -2.921 -5.585 1.00 0.00 C ATOM 84 CG TYR A 6 8.285 -3.868 -5.119 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.953 -5.147 -4.697 1.00 0.00 C ATOM 86 CD2 TYR A 6 9.609 -3.458 -5.115 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.942 -6.012 -4.271 1.00 0.00 C ATOM 88 CE2 TYR A 6 10.598 -4.323 -4.688 1.00 0.00 C ATOM 89 CZ TYR A 6 10.268 -5.596 -4.268 1.00 0.00 C ATOM 90 OH TYR A 6 11.253 -6.458 -3.845 1.00 0.00 O ATOM 0 H TYR A 6 5.770 -0.421 -4.923 1.00 0.00 H new ATOM 0 HA TYR A 6 5.718 -3.212 -4.062 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.574 -3.433 -6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.664 -2.078 -6.098 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.921 -5.466 -4.702 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.867 -2.463 -5.446 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.686 -7.008 -3.941 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.630 -4.003 -4.683 1.00 0.00 H new ATOM 0 HH TYR A 6 12.128 -6.117 -4.124 1.00 0.00 H new ATOM 100 N ILE A 7 7.208 -2.571 -2.208 1.00 0.00 N ATOM 101 CA ILE A 7 8.093 -2.236 -1.100 1.00 0.00 C ATOM 102 C ILE A 7 9.317 -3.143 -1.080 1.00 0.00 C ATOM 103 O ILE A 7 9.205 -4.349 -0.858 1.00 0.00 O ATOM 104 CB ILE A 7 7.354 -2.341 0.246 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.185 -1.353 0.291 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.311 -2.089 1.400 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.298 -1.511 1.506 1.00 0.00 C ATOM 0 H ILE A 7 6.629 -3.396 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 7 8.420 -1.207 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 7 6.956 -3.351 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.579 -0.337 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.581 -1.479 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.771 -2.167 2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.111 -2.829 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.737 -1.090 1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.493 -0.777 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.873 -2.515 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.887 -1.355 2.410 1.00 0.00 H new ATOM 119 N LEU A 8 10.487 -2.557 -1.313 1.00 0.00 N ATOM 120 CA LEU A 8 11.749 -3.245 -1.074 1.00 0.00 C ATOM 121 C LEU A 8 12.255 -2.995 0.341 1.00 0.00 C ATOM 122 O LEU A 8 12.494 -1.854 0.732 1.00 0.00 O ATOM 123 CB LEU A 8 12.803 -2.784 -2.089 1.00 0.00 C ATOM 124 CG LEU A 8 14.202 -3.388 -1.917 1.00 0.00 C ATOM 125 CD1 LEU A 8 14.137 -4.893 -2.148 1.00 0.00 C ATOM 126 CD2 LEU A 8 15.166 -2.727 -2.891 1.00 0.00 C ATOM 0 H LEU A 8 10.587 -1.606 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 8 11.574 -4.314 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.445 -3.023 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.886 -1.699 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 8 14.562 -3.210 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.131 -5.323 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.456 -5.343 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.778 -5.091 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.160 -3.157 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.823 -2.893 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.207 -1.656 -2.692 1.00 0.00 H new ATOM 138 N MET A 9 12.416 -4.070 1.105 1.00 0.00 N ATOM 139 CA MET A 9 12.884 -3.970 2.481 1.00 0.00 C ATOM 140 C MET A 9 14.403 -4.049 2.554 1.00 0.00 C ATOM 141 O MET A 9 15.044 -4.656 1.696 1.00 0.00 O ATOM 142 CB MET A 9 12.251 -5.067 3.336 1.00 0.00 C ATOM 143 CG MET A 9 10.729 -5.073 3.326 1.00 0.00 C ATOM 144 SD MET A 9 10.024 -3.549 3.986 1.00 0.00 S ATOM 145 CE MET A 9 10.469 -3.691 5.714 1.00 0.00 C ATOM 0 H MET A 9 12.228 -5.023 0.793 1.00 0.00 H new ATOM 0 HA MET A 9 12.580 -2.999 2.871 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.608 -6.035 2.986 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.595 -4.953 4.364 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.377 -5.219 2.305 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.369 -5.919 3.912 1.00 0.00 H new ATOM 0 HE1 MET A 9 9.969 -2.908 6.284 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.161 -4.667 6.090 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.548 -3.585 5.822 1.00 0.00 H new ATOM 155 N GLU A 10 14.974 -3.432 3.582 1.00 0.00 N ATOM 156 CA GLU A 10 16.419 -3.442 3.776 1.00 0.00 C ATOM 157 C GLU A 10 16.943 -4.863 3.938 1.00 0.00 C ATOM 158 O GLU A 10 18.107 -5.143 3.649 1.00 0.00 O ATOM 159 CB GLU A 10 16.800 -2.604 4.999 1.00 0.00 C ATOM 160 CG GLU A 10 16.700 -1.100 4.786 1.00 0.00 C ATOM 161 CD GLU A 10 17.794 -0.559 3.907 1.00 0.00 C ATOM 162 OE1 GLU A 10 18.685 -1.302 3.575 1.00 0.00 O ATOM 163 OE2 GLU A 10 17.737 0.599 3.568 1.00 0.00 O ATOM 0 H GLU A 10 14.457 -2.918 4.295 1.00 0.00 H new ATOM 0 HA GLU A 10 16.877 -3.007 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.155 -2.885 5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 10 17.821 -2.851 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.733 -0.865 4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.736 -0.598 5.753 1.00 0.00 H new ATOM 170 N ASN A 11 16.078 -5.757 4.403 1.00 0.00 N ATOM 171 CA ASN A 11 16.464 -7.142 4.648 1.00 0.00 C ATOM 172 C ASN A 11 16.234 -8.004 3.413 1.00 0.00 C ATOM 173 O ASN A 11 16.334 -9.230 3.473 1.00 0.00 O ATOM 174 CB ASN A 11 15.712 -7.704 5.840 1.00 0.00 C ATOM 175 CG ASN A 11 16.160 -7.100 7.142 1.00 0.00 C ATOM 176 OD1 ASN A 11 17.307 -6.658 7.274 1.00 0.00 O ATOM 177 ND2 ASN A 11 15.276 -7.073 8.107 1.00 0.00 N ATOM 0 H ASN A 11 15.103 -5.547 4.618 1.00 0.00 H new ATOM 0 HA ASN A 11 17.530 -7.158 4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.645 -7.526 5.709 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.852 -8.784 5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.522 -6.675 9.013 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.341 -7.450 7.953 1.00 0.00 H new ATOM 184 N GLY A 12 15.924 -7.356 2.295 1.00 0.00 N ATOM 185 CA GLY A 12 15.737 -8.057 1.031 1.00 0.00 C ATOM 186 C GLY A 12 14.296 -8.527 0.869 1.00 0.00 C ATOM 187 O GLY A 12 13.984 -9.300 -0.036 1.00 0.00 O ATOM 0 H GLY A 12 15.797 -6.345 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.003 -7.398 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.409 -8.914 0.984 1.00 0.00 H new ATOM 191 N GLY A 13 13.423 -8.055 1.753 1.00 0.00 N ATOM 192 CA GLY A 13 12.011 -8.415 1.701 1.00 0.00 C ATOM 193 C GLY A 13 11.353 -7.885 0.434 1.00 0.00 C ATOM 194 O GLY A 13 11.609 -6.755 0.016 1.00 0.00 O ATOM 0 H GLY A 13 13.669 -7.422 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.908 -9.499 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.498 -8.014 2.575 1.00 0.00 H new ATOM 198 N LYS A 14 10.504 -8.706 -0.174 1.00 0.00 N ATOM 199 CA LYS A 14 9.866 -8.352 -1.437 1.00 0.00 C ATOM 200 C LYS A 14 8.351 -8.298 -1.291 1.00 0.00 C ATOM 201 O LYS A 14 7.669 -9.313 -1.428 1.00 0.00 O ATOM 202 CB LYS A 14 10.254 -9.348 -2.531 1.00 0.00 C ATOM 203 CG LYS A 14 11.749 -9.422 -2.813 1.00 0.00 C ATOM 204 CD LYS A 14 12.043 -10.310 -4.012 1.00 0.00 C ATOM 205 CE LYS A 14 13.537 -10.407 -4.278 1.00 0.00 C ATOM 206 NZ LYS A 14 13.835 -11.201 -5.501 1.00 0.00 N ATOM 0 H LYS A 14 10.241 -9.623 0.188 1.00 0.00 H new ATOM 0 HA LYS A 14 10.217 -7.360 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.901 -10.339 -2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.736 -9.078 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.136 -8.420 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.268 -9.809 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.638 -11.307 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.540 -9.912 -4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.952 -9.405 -4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.029 -10.865 -3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.864 -11.242 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.462 -12.165 -5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.387 -10.751 -6.325 1.00 0.00 H new ATOM 220 N ILE A 15 7.831 -7.108 -1.013 1.00 0.00 N ATOM 221 CA ILE A 15 6.405 -6.936 -0.759 1.00 0.00 C ATOM 222 C ILE A 15 5.725 -6.209 -1.913 1.00 0.00 C ATOM 223 O ILE A 15 5.849 -4.992 -2.052 1.00 0.00 O ATOM 224 CB ILE A 15 6.169 -6.157 0.548 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.800 -6.899 1.731 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.681 -5.946 0.781 1.00 0.00 C ATOM 227 CD1 ILE A 15 6.920 -6.059 2.982 1.00 0.00 C ATOM 0 H ILE A 15 8.376 -6.247 -0.958 1.00 0.00 H new ATOM 0 HA ILE A 15 5.970 -7.931 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 15 6.644 -5.180 0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.203 -7.783 1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.791 -7.248 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.533 -5.394 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.259 -5.380 -0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.183 -6.913 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.375 -6.651 3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.542 -5.188 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.929 -5.731 3.297 1.00 0.00 H new ATOM 239 N GLU A 16 5.004 -6.963 -2.736 1.00 0.00 N ATOM 240 CA GLU A 16 4.284 -6.388 -3.867 1.00 0.00 C ATOM 241 C GLU A 16 2.799 -6.241 -3.557 1.00 0.00 C ATOM 242 O GLU A 16 2.163 -7.174 -3.066 1.00 0.00 O ATOM 243 CB GLU A 16 4.471 -7.254 -5.115 1.00 0.00 C ATOM 244 CG GLU A 16 3.824 -6.692 -6.373 1.00 0.00 C ATOM 245 CD GLU A 16 4.058 -7.551 -7.584 1.00 0.00 C ATOM 246 OE1 GLU A 16 5.198 -7.793 -7.905 1.00 0.00 O ATOM 247 OE2 GLU A 16 3.099 -7.964 -8.190 1.00 0.00 O ATOM 0 H GLU A 16 4.903 -7.974 -2.641 1.00 0.00 H new ATOM 0 HA GLU A 16 4.696 -5.396 -4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.538 -7.383 -5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.059 -8.244 -4.920 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.751 -6.588 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.216 -5.692 -6.562 1.00 0.00 H new ATOM 254 N PHE A 17 2.254 -5.065 -3.844 1.00 0.00 N ATOM 255 CA PHE A 17 0.890 -4.735 -3.447 1.00 0.00 C ATOM 256 C PHE A 17 0.162 -3.976 -4.549 1.00 0.00 C ATOM 257 O PHE A 17 0.790 -3.391 -5.431 1.00 0.00 O ATOM 258 CB PHE A 17 0.895 -3.901 -2.163 1.00 0.00 C ATOM 259 CG PHE A 17 1.536 -2.551 -2.321 1.00 0.00 C ATOM 260 CD1 PHE A 17 0.783 -1.449 -2.698 1.00 0.00 C ATOM 261 CD2 PHE A 17 2.893 -2.381 -2.095 1.00 0.00 C ATOM 262 CE1 PHE A 17 1.371 -0.207 -2.843 1.00 0.00 C ATOM 263 CE2 PHE A 17 3.484 -1.140 -2.238 1.00 0.00 C ATOM 264 CZ PHE A 17 2.722 -0.053 -2.613 1.00 0.00 C ATOM 0 H PHE A 17 2.736 -4.323 -4.351 1.00 0.00 H new ATOM 0 HA PHE A 17 0.362 -5.671 -3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.132 -3.768 -1.823 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.420 -4.453 -1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.275 -1.563 -2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.496 -3.229 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.773 0.643 -3.136 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.542 -1.021 -2.056 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.183 0.917 -2.726 1.00 0.00 H new ATOM 274 N GLU A 18 -1.165 -3.990 -4.493 1.00 0.00 N ATOM 275 CA GLU A 18 -1.978 -3.211 -5.418 1.00 0.00 C ATOM 276 C GLU A 18 -2.630 -2.027 -4.714 1.00 0.00 C ATOM 277 O GLU A 18 -2.822 -2.043 -3.500 1.00 0.00 O ATOM 278 CB GLU A 18 -3.054 -4.092 -6.056 1.00 0.00 C ATOM 279 CG GLU A 18 -2.511 -5.232 -6.906 1.00 0.00 C ATOM 280 CD GLU A 18 -3.594 -6.036 -7.569 1.00 0.00 C ATOM 281 OE1 GLU A 18 -4.745 -5.738 -7.354 1.00 0.00 O ATOM 282 OE2 GLU A 18 -3.271 -6.950 -8.291 1.00 0.00 O ATOM 0 H GLU A 18 -1.701 -4.533 -3.816 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.320 -2.828 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.679 -4.509 -5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.697 -3.467 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.849 -4.825 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.909 -5.890 -6.280 1.00 0.00 H new ATOM 289 N LEU A 19 -2.968 -0.999 -5.487 1.00 0.00 N ATOM 290 CA LEU A 19 -3.646 0.173 -4.947 1.00 0.00 C ATOM 291 C LEU A 19 -5.042 0.322 -5.538 1.00 0.00 C ATOM 292 O LEU A 19 -5.316 -0.156 -6.639 1.00 0.00 O ATOM 293 CB LEU A 19 -2.827 1.437 -5.234 1.00 0.00 C ATOM 294 CG LEU A 19 -1.483 1.540 -4.500 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.700 2.731 -5.036 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.730 1.677 -3.005 1.00 0.00 C ATOM 0 H LEU A 19 -2.783 -0.955 -6.489 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.740 0.038 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.639 1.490 -6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.431 2.306 -4.972 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.896 0.638 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.254 2.804 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.521 2.598 -6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.272 3.645 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.776 1.750 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.317 2.575 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.274 0.804 -2.645 1.00 0.00 H new ATOM 308 N PHE A 20 -5.923 0.987 -4.799 1.00 0.00 N ATOM 309 CA PHE A 20 -7.310 1.151 -5.222 1.00 0.00 C ATOM 310 C PHE A 20 -7.694 2.623 -5.292 1.00 0.00 C ATOM 311 O PHE A 20 -8.353 3.146 -4.394 1.00 0.00 O ATOM 312 CB PHE A 20 -8.250 0.418 -4.264 1.00 0.00 C ATOM 313 CG PHE A 20 -7.952 -1.047 -4.122 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.360 -1.949 -5.094 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.262 -1.527 -3.019 1.00 0.00 C ATOM 316 CE1 PHE A 20 -8.088 -3.298 -4.966 1.00 0.00 C ATOM 317 CE2 PHE A 20 -6.987 -2.875 -2.890 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.400 -3.760 -3.862 1.00 0.00 C ATOM 0 H PHE A 20 -5.702 1.422 -3.903 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.406 0.721 -6.219 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.191 0.888 -3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.275 0.538 -4.614 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.897 -1.593 -5.961 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.936 -0.840 -2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.413 -3.990 -5.729 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.448 -3.235 -2.026 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.186 -4.814 -3.760 1.00 0.00 H new ATOM 328 N PRO A 21 -7.279 3.286 -6.367 1.00 0.00 N ATOM 329 CA PRO A 21 -7.555 4.707 -6.543 1.00 0.00 C ATOM 330 C PRO A 21 -9.040 4.956 -6.774 1.00 0.00 C ATOM 331 O PRO A 21 -9.513 6.088 -6.671 1.00 0.00 O ATOM 332 CB PRO A 21 -6.724 5.068 -7.778 1.00 0.00 C ATOM 333 CG PRO A 21 -6.589 3.782 -8.518 1.00 0.00 C ATOM 334 CD PRO A 21 -6.440 2.743 -7.438 1.00 0.00 C ATOM 0 HA PRO A 21 -7.301 5.307 -5.669 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.220 5.826 -8.384 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.750 5.471 -7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.463 3.587 -9.139 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.724 3.794 -9.181 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.784 1.762 -7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.403 2.628 -7.124 1.00 0.00 H new ATOM 342 N ASN A 22 -9.772 3.891 -7.085 1.00 0.00 N ATOM 343 CA ASN A 22 -11.213 3.984 -7.288 1.00 0.00 C ATOM 344 C ASN A 22 -11.965 3.824 -5.973 1.00 0.00 C ATOM 345 O ASN A 22 -13.174 4.051 -5.907 1.00 0.00 O ATOM 346 CB ASN A 22 -11.678 2.952 -8.298 1.00 0.00 C ATOM 347 CG ASN A 22 -11.129 3.202 -9.675 1.00 0.00 C ATOM 348 OD1 ASN A 22 -11.372 4.259 -10.270 1.00 0.00 O ATOM 349 ND2 ASN A 22 -10.394 2.252 -10.193 1.00 0.00 N ATOM 0 H ASN A 22 -9.390 2.952 -7.202 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.433 4.976 -7.682 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.374 1.960 -7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.767 2.955 -8.339 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.995 2.367 -11.125 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.220 1.397 -9.665 1.00 0.00 H new ATOM 356 N GLU A 23 -11.244 3.434 -4.928 1.00 0.00 N ATOM 357 CA GLU A 23 -11.836 3.272 -3.606 1.00 0.00 C ATOM 358 C GLU A 23 -11.326 4.335 -2.640 1.00 0.00 C ATOM 359 O GLU A 23 -12.032 4.736 -1.715 1.00 0.00 O ATOM 360 CB GLU A 23 -11.533 1.879 -3.051 1.00 0.00 C ATOM 361 CG GLU A 23 -12.113 0.736 -3.872 1.00 0.00 C ATOM 362 CD GLU A 23 -11.771 -0.618 -3.314 1.00 0.00 C ATOM 363 OE1 GLU A 23 -11.100 -0.674 -2.312 1.00 0.00 O ATOM 364 OE2 GLU A 23 -12.183 -1.597 -3.891 1.00 0.00 O ATOM 0 H GLU A 23 -10.247 3.224 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.915 3.389 -3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.452 1.753 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.921 1.814 -2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.197 0.841 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.743 0.806 -4.895 1.00 0.00 H new ATOM 371 N ALA A 24 -10.098 4.787 -2.862 1.00 0.00 N ATOM 372 CA ALA A 24 -9.528 5.875 -2.075 1.00 0.00 C ATOM 373 C ALA A 24 -8.704 6.814 -2.948 1.00 0.00 C ATOM 374 O ALA A 24 -7.475 6.787 -2.918 1.00 0.00 O ATOM 375 CB ALA A 24 -8.673 5.319 -0.945 1.00 0.00 C ATOM 0 H ALA A 24 -9.477 4.417 -3.581 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.351 6.447 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.254 6.142 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.288 4.696 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.863 4.720 -1.362 1.00 0.00 H new ATOM 381 N PRO A 25 -9.391 7.646 -3.725 1.00 0.00 N ATOM 382 CA PRO A 25 -8.730 8.513 -4.692 1.00 0.00 C ATOM 383 C PRO A 25 -7.639 9.344 -4.030 1.00 0.00 C ATOM 384 O PRO A 25 -6.488 9.337 -4.467 1.00 0.00 O ATOM 385 CB PRO A 25 -9.875 9.391 -5.206 1.00 0.00 C ATOM 386 CG PRO A 25 -11.073 8.507 -5.140 1.00 0.00 C ATOM 387 CD PRO A 25 -10.882 7.712 -3.876 1.00 0.00 C ATOM 0 HA PRO A 25 -8.224 7.966 -5.488 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.002 10.281 -4.589 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.688 9.733 -6.224 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.995 9.088 -5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.136 7.857 -6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.351 8.199 -3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.322 6.718 -3.957 1.00 0.00 H new ATOM 395 N VAL A 26 -8.006 10.060 -2.972 1.00 0.00 N ATOM 396 CA VAL A 26 -7.110 11.029 -2.353 1.00 0.00 C ATOM 397 C VAL A 26 -5.924 10.338 -1.691 1.00 0.00 C ATOM 398 O VAL A 26 -4.774 10.731 -1.889 1.00 0.00 O ATOM 399 CB VAL A 26 -7.867 11.863 -1.303 1.00 0.00 C ATOM 400 CG1 VAL A 26 -6.902 12.751 -0.532 1.00 0.00 C ATOM 401 CG2 VAL A 26 -8.942 12.698 -1.982 1.00 0.00 C ATOM 0 H VAL A 26 -8.920 9.987 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.737 11.685 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.346 11.188 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.454 13.333 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.162 12.131 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.397 13.426 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.474 13.285 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.479 13.368 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.645 12.040 -2.493 1.00 0.00 H new ATOM 411 N THR A 27 -6.211 9.308 -0.904 1.00 0.00 N ATOM 412 CA THR A 27 -5.175 8.595 -0.166 1.00 0.00 C ATOM 413 C THR A 27 -4.164 7.959 -1.111 1.00 0.00 C ATOM 414 O THR A 27 -2.955 8.089 -0.921 1.00 0.00 O ATOM 415 CB THR A 27 -5.786 7.512 0.743 1.00 0.00 C ATOM 416 OG1 THR A 27 -6.725 8.115 1.643 1.00 0.00 O ATOM 417 CG2 THR A 27 -4.699 6.812 1.543 1.00 0.00 C ATOM 0 H THR A 27 -7.154 8.947 -0.760 1.00 0.00 H new ATOM 0 HA THR A 27 -4.661 9.328 0.456 1.00 0.00 H new ATOM 0 HB THR A 27 -6.292 6.777 0.118 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.541 8.352 1.154 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.149 6.050 2.180 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.990 6.342 0.861 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.177 7.541 2.163 1.00 0.00 H new ATOM 425 N VAL A 28 -4.666 7.271 -2.130 1.00 0.00 N ATOM 426 CA VAL A 28 -3.808 6.585 -3.088 1.00 0.00 C ATOM 427 C VAL A 28 -2.971 7.576 -3.887 1.00 0.00 C ATOM 428 O VAL A 28 -1.787 7.346 -4.133 1.00 0.00 O ATOM 429 CB VAL A 28 -4.657 5.738 -4.056 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.802 5.223 -5.204 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.302 4.584 -3.304 1.00 0.00 C ATOM 0 H VAL A 28 -5.665 7.174 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.137 5.936 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.444 6.364 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.418 4.627 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.379 6.067 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.995 4.606 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.901 3.989 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.526 3.957 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.942 4.977 -2.514 1.00 0.00 H new ATOM 441 N ALA A 29 -3.594 8.679 -4.291 1.00 0.00 N ATOM 442 CA ALA A 29 -2.899 9.721 -5.036 1.00 0.00 C ATOM 443 C ALA A 29 -1.728 10.280 -4.241 1.00 0.00 C ATOM 444 O ALA A 29 -0.611 10.381 -4.749 1.00 0.00 O ATOM 445 CB ALA A 29 -3.864 10.837 -5.411 1.00 0.00 C ATOM 0 H ALA A 29 -4.580 8.873 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.504 9.274 -5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.330 11.608 -5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.665 10.433 -6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.288 11.271 -4.505 1.00 0.00 H new ATOM 451 N ASN A 30 -1.988 10.643 -2.989 1.00 0.00 N ATOM 452 CA ASN A 30 -0.955 11.199 -2.123 1.00 0.00 C ATOM 453 C ASN A 30 0.117 10.164 -1.808 1.00 0.00 C ATOM 454 O ASN A 30 1.305 10.480 -1.772 1.00 0.00 O ATOM 455 CB ASN A 30 -1.567 11.741 -0.844 1.00 0.00 C ATOM 456 CG ASN A 30 -2.320 13.025 -1.061 1.00 0.00 C ATOM 457 OD1 ASN A 30 -2.102 13.725 -2.056 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.203 13.345 -0.150 1.00 0.00 N ATOM 0 H ASN A 30 -2.906 10.562 -2.552 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.478 12.022 -2.656 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.242 10.995 -0.424 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.778 11.906 -0.110 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.745 14.204 -0.245 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.349 12.736 0.655 1.00 0.00 H new ATOM 465 N PHE A 31 -0.312 8.928 -1.580 1.00 0.00 N ATOM 466 CA PHE A 31 0.615 7.834 -1.312 1.00 0.00 C ATOM 467 C PHE A 31 1.589 7.642 -2.467 1.00 0.00 C ATOM 468 O PHE A 31 2.801 7.567 -2.263 1.00 0.00 O ATOM 469 CB PHE A 31 -0.152 6.533 -1.063 1.00 0.00 C ATOM 470 CG PHE A 31 0.734 5.346 -0.812 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.283 5.125 0.442 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.020 4.449 -1.830 1.00 0.00 C ATOM 473 CE1 PHE A 31 2.099 4.033 0.673 1.00 0.00 C ATOM 474 CE2 PHE A 31 1.833 3.356 -1.601 1.00 0.00 C ATOM 475 CZ PHE A 31 2.374 3.149 -0.348 1.00 0.00 C ATOM 0 H PHE A 31 -1.296 8.658 -1.575 1.00 0.00 H new ATOM 0 HA PHE A 31 1.184 8.093 -0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.812 6.670 -0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.786 6.325 -1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.071 5.813 1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.602 4.607 -2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.521 3.873 1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.045 2.664 -2.402 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.012 2.296 -0.168 1.00 0.00 H new ATOM 485 N GLU A 32 1.052 7.561 -3.680 1.00 0.00 N ATOM 486 CA GLU A 32 1.875 7.388 -4.871 1.00 0.00 C ATOM 487 C GLU A 32 2.893 8.513 -5.006 1.00 0.00 C ATOM 488 O GLU A 32 4.083 8.267 -5.204 1.00 0.00 O ATOM 489 CB GLU A 32 0.996 7.330 -6.123 1.00 0.00 C ATOM 490 CG GLU A 32 1.768 7.325 -7.434 1.00 0.00 C ATOM 491 CD GLU A 32 0.889 7.094 -8.630 1.00 0.00 C ATOM 492 OE1 GLU A 32 -0.041 7.843 -8.815 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.145 6.165 -9.360 1.00 0.00 O ATOM 0 H GLU A 32 0.050 7.612 -3.864 1.00 0.00 H new ATOM 0 HA GLU A 32 2.415 6.447 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.377 6.434 -6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.320 8.185 -6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.286 8.277 -7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.533 6.549 -7.396 1.00 0.00 H new ATOM 500 N LYS A 33 2.419 9.750 -4.899 1.00 0.00 N ATOM 501 CA LYS A 33 3.287 10.916 -5.008 1.00 0.00 C ATOM 502 C LYS A 33 4.426 10.851 -3.999 1.00 0.00 C ATOM 503 O LYS A 33 5.599 10.898 -4.368 1.00 0.00 O ATOM 504 CB LYS A 33 2.483 12.202 -4.812 1.00 0.00 C ATOM 505 CG LYS A 33 3.308 13.479 -4.906 1.00 0.00 C ATOM 506 CD LYS A 33 2.437 14.713 -4.725 1.00 0.00 C ATOM 507 CE LYS A 33 3.265 15.989 -4.783 1.00 0.00 C ATOM 508 NZ LYS A 33 2.427 17.205 -4.600 1.00 0.00 N ATOM 0 H LYS A 33 1.436 9.971 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 33 3.719 10.918 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.691 12.239 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.998 12.168 -3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.089 13.467 -4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.807 13.522 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.672 14.738 -5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.918 14.657 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.033 15.958 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.780 16.044 -5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.029 18.052 -4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.710 17.249 -5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.956 17.166 -3.674 1.00 0.00 H new ATOM 522 N LEU A 34 4.073 10.741 -2.723 1.00 0.00 N ATOM 523 CA LEU A 34 5.063 10.755 -1.651 1.00 0.00 C ATOM 524 C LEU A 34 6.063 9.617 -1.811 1.00 0.00 C ATOM 525 O LEU A 34 7.266 9.806 -1.632 1.00 0.00 O ATOM 526 CB LEU A 34 4.367 10.645 -0.288 1.00 0.00 C ATOM 527 CG LEU A 34 3.551 11.870 0.143 1.00 0.00 C ATOM 528 CD1 LEU A 34 2.796 11.552 1.426 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.482 13.058 0.337 1.00 0.00 C ATOM 0 H LEU A 34 3.109 10.641 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 34 5.605 11.699 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.705 9.779 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.124 10.450 0.471 1.00 0.00 H new ATOM 0 HG LEU A 34 2.825 12.124 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.216 12.423 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.124 10.711 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.506 11.294 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.902 13.929 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.217 12.822 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.995 13.275 -0.600 1.00 0.00 H new ATOM 541 N ALA A 35 5.559 8.435 -2.148 1.00 0.00 N ATOM 542 CA ALA A 35 6.404 7.256 -2.298 1.00 0.00 C ATOM 543 C ALA A 35 7.460 7.468 -3.374 1.00 0.00 C ATOM 544 O ALA A 35 8.645 7.219 -3.153 1.00 0.00 O ATOM 545 CB ALA A 35 5.555 6.034 -2.622 1.00 0.00 C ATOM 0 H ALA A 35 4.568 8.268 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 35 6.918 7.088 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.199 5.162 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.844 5.861 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.013 6.204 -3.553 1.00 0.00 H new ATOM 551 N ASN A 36 7.023 7.930 -4.542 1.00 0.00 N ATOM 552 CA ASN A 36 7.926 8.140 -5.668 1.00 0.00 C ATOM 553 C ASN A 36 8.836 9.337 -5.429 1.00 0.00 C ATOM 554 O ASN A 36 9.901 9.450 -6.036 1.00 0.00 O ATOM 555 CB ASN A 36 7.140 8.314 -6.955 1.00 0.00 C ATOM 556 CG ASN A 36 6.564 7.021 -7.460 1.00 0.00 C ATOM 557 OD1 ASN A 36 7.052 5.936 -7.123 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.534 7.114 -8.261 1.00 0.00 N ATOM 0 H ASN A 36 6.049 8.166 -4.733 1.00 0.00 H new ATOM 0 HA ASN A 36 8.556 7.256 -5.763 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.332 9.027 -6.790 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.790 8.741 -7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.100 6.270 -8.634 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.164 8.031 -8.512 1.00 0.00 H new ATOM 565 N GLU A 37 8.411 10.230 -4.541 1.00 0.00 N ATOM 566 CA GLU A 37 9.247 11.348 -4.118 1.00 0.00 C ATOM 567 C GLU A 37 10.241 10.918 -3.049 1.00 0.00 C ATOM 568 O GLU A 37 11.128 11.683 -2.668 1.00 0.00 O ATOM 569 CB GLU A 37 8.379 12.492 -3.592 1.00 0.00 C ATOM 570 CG GLU A 37 7.590 13.229 -4.664 1.00 0.00 C ATOM 571 CD GLU A 37 8.471 13.962 -5.638 1.00 0.00 C ATOM 572 OE1 GLU A 37 9.289 14.736 -5.203 1.00 0.00 O ATOM 573 OE2 GLU A 37 8.325 13.749 -6.818 1.00 0.00 O ATOM 0 H GLU A 37 7.492 10.201 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 37 9.807 11.694 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.682 12.093 -2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.017 13.207 -3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.971 12.515 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.914 13.939 -4.187 1.00 0.00 H new ATOM 580 N GLY A 38 10.090 9.690 -2.565 1.00 0.00 N ATOM 581 CA GLY A 38 11.083 9.084 -1.685 1.00 0.00 C ATOM 582 C GLY A 38 10.755 9.347 -0.221 1.00 0.00 C ATOM 583 O GLY A 38 11.598 9.159 0.656 1.00 0.00 O ATOM 0 H GLY A 38 9.288 9.094 -2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.124 8.010 -1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.070 9.484 -1.917 1.00 0.00 H new ATOM 587 N PHE A 39 9.526 9.782 0.036 1.00 0.00 N ATOM 588 CA PHE A 39 9.085 10.071 1.395 1.00 0.00 C ATOM 589 C PHE A 39 8.702 8.794 2.133 1.00 0.00 C ATOM 590 O PHE A 39 8.619 8.777 3.361 1.00 0.00 O ATOM 591 CB PHE A 39 7.895 11.032 1.377 1.00 0.00 C ATOM 592 CG PHE A 39 8.266 12.450 1.047 1.00 0.00 C ATOM 593 CD1 PHE A 39 8.944 13.237 1.964 1.00 0.00 C ATOM 594 CD2 PHE A 39 7.939 12.997 -0.185 1.00 0.00 C ATOM 595 CE1 PHE A 39 9.285 14.541 1.662 1.00 0.00 C ATOM 596 CE2 PHE A 39 8.280 14.301 -0.491 1.00 0.00 C ATOM 597 CZ PHE A 39 8.953 15.074 0.433 1.00 0.00 C ATOM 0 H PHE A 39 8.817 9.942 -0.680 1.00 0.00 H new ATOM 0 HA PHE A 39 9.917 10.538 1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.165 10.678 0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.408 11.011 2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.209 12.826 2.927 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.412 12.398 -0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.811 15.143 2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 39 8.020 14.715 -1.454 1.00 0.00 H new ATOM 0 HZ PHE A 39 9.219 16.093 0.195 1.00 0.00 H new ATOM 607 N TYR A 40 8.469 7.726 1.377 1.00 0.00 N ATOM 608 CA TYR A 40 8.265 6.405 1.958 1.00 0.00 C ATOM 609 C TYR A 40 9.518 5.547 1.829 1.00 0.00 C ATOM 610 O TYR A 40 9.460 4.324 1.954 1.00 0.00 O ATOM 611 CB TYR A 40 7.074 5.708 1.298 1.00 0.00 C ATOM 612 CG TYR A 40 5.731 6.165 1.824 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.216 5.611 2.985 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.015 7.139 1.142 1.00 0.00 C ATOM 615 CE1 TYR A 40 3.989 6.030 3.464 1.00 0.00 C ATOM 616 CE2 TYR A 40 3.789 7.557 1.621 1.00 0.00 C ATOM 617 CZ TYR A 40 3.278 6.998 2.787 1.00 0.00 C ATOM 618 OH TYR A 40 2.056 7.415 3.264 1.00 0.00 O ATOM 0 H TYR A 40 8.417 7.750 0.359 1.00 0.00 H new ATOM 0 HA TYR A 40 8.052 6.535 3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.112 5.884 0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.166 4.632 1.448 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.773 4.853 3.515 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.417 7.570 0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.587 5.599 4.369 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.230 8.315 1.092 1.00 0.00 H new ATOM 0 HH TYR A 40 2.088 7.470 4.242 1.00 0.00 H new ATOM 628 N ASN A 41 10.650 6.196 1.578 1.00 0.00 N ATOM 629 CA ASN A 41 11.926 5.499 1.480 1.00 0.00 C ATOM 630 C ASN A 41 12.764 5.704 2.737 1.00 0.00 C ATOM 631 O ASN A 41 13.210 6.815 3.022 1.00 0.00 O ATOM 632 CB ASN A 41 12.691 5.953 0.250 1.00 0.00 C ATOM 633 CG ASN A 41 14.015 5.256 0.102 1.00 0.00 C ATOM 634 OD1 ASN A 41 14.614 4.818 1.091 1.00 0.00 O ATOM 635 ND2 ASN A 41 14.483 5.145 -1.114 1.00 0.00 N ATOM 0 H ASN A 41 10.709 7.205 1.439 1.00 0.00 H new ATOM 0 HA ASN A 41 11.718 4.433 1.385 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.086 5.768 -0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.855 7.029 0.306 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.377 4.682 -1.276 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.954 5.522 -1.900 1.00 0.00 H new ATOM 642 N GLY A 42 12.972 4.626 3.485 1.00 0.00 N ATOM 643 CA GLY A 42 13.818 4.669 4.672 1.00 0.00 C ATOM 644 C GLY A 42 12.980 4.743 5.942 1.00 0.00 C ATOM 645 O GLY A 42 13.503 4.993 7.028 1.00 0.00 O ATOM 0 H GLY A 42 12.566 3.711 3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.452 3.783 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.480 5.533 4.619 1.00 0.00 H new ATOM 649 N LEU A 43 11.677 4.523 5.800 1.00 0.00 N ATOM 650 CA LEU A 43 10.767 4.547 6.940 1.00 0.00 C ATOM 651 C LEU A 43 10.800 3.226 7.697 1.00 0.00 C ATOM 652 O LEU A 43 11.104 2.178 7.126 1.00 0.00 O ATOM 653 CB LEU A 43 9.337 4.839 6.469 1.00 0.00 C ATOM 654 CG LEU A 43 9.140 6.165 5.723 1.00 0.00 C ATOM 655 CD1 LEU A 43 7.655 6.394 5.478 1.00 0.00 C ATOM 656 CD2 LEU A 43 9.742 7.300 6.537 1.00 0.00 C ATOM 0 H LEU A 43 11.227 4.326 4.906 1.00 0.00 H new ATOM 0 HA LEU A 43 11.094 5.338 7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.015 4.026 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.679 4.831 7.338 1.00 0.00 H new ATOM 0 HG LEU A 43 9.646 6.129 4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.515 7.336 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.255 5.577 4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.131 6.433 6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.602 8.242 6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.249 7.353 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.807 7.119 6.681 1.00 0.00 H new ATOM 668 N THR A 44 10.484 3.283 8.986 1.00 0.00 N ATOM 669 CA THR A 44 10.629 2.125 9.862 1.00 0.00 C ATOM 670 C THR A 44 9.272 1.620 10.336 1.00 0.00 C ATOM 671 O THR A 44 8.338 2.400 10.518 1.00 0.00 O ATOM 672 CB THR A 44 11.512 2.458 11.079 1.00 0.00 C ATOM 673 OG1 THR A 44 12.776 2.964 10.631 1.00 0.00 O ATOM 674 CG2 THR A 44 11.738 1.217 11.929 1.00 0.00 C ATOM 0 H THR A 44 10.126 4.119 9.448 1.00 0.00 H new ATOM 0 HA THR A 44 11.112 1.339 9.281 1.00 0.00 H new ATOM 0 HB THR A 44 11.005 3.211 11.682 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.336 3.177 11.406 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.364 1.471 12.784 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.779 0.838 12.281 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.233 0.452 11.331 1.00 0.00 H new ATOM 682 N PHE A 45 9.171 0.310 10.535 1.00 0.00 N ATOM 683 CA PHE A 45 8.010 -0.277 11.193 1.00 0.00 C ATOM 684 C PHE A 45 8.201 -0.330 12.703 1.00 0.00 C ATOM 685 O PHE A 45 8.943 -1.167 13.215 1.00 0.00 O ATOM 686 CB PHE A 45 7.749 -1.687 10.657 1.00 0.00 C ATOM 687 CG PHE A 45 7.169 -1.709 9.271 1.00 0.00 C ATOM 688 CD1 PHE A 45 7.995 -1.674 8.157 1.00 0.00 C ATOM 689 CD2 PHE A 45 5.796 -1.766 9.078 1.00 0.00 C ATOM 690 CE1 PHE A 45 7.462 -1.695 6.883 1.00 0.00 C ATOM 691 CE2 PHE A 45 5.262 -1.789 7.805 1.00 0.00 C ATOM 692 CZ PHE A 45 6.096 -1.753 6.706 1.00 0.00 C ATOM 0 H PHE A 45 9.880 -0.366 10.250 1.00 0.00 H new ATOM 0 HA PHE A 45 7.150 0.356 10.975 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.685 -2.246 10.658 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.069 -2.203 11.334 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.066 -1.630 8.287 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.137 -1.793 9.934 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.116 -1.666 6.024 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.192 -1.835 7.669 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.680 -1.770 5.710 1.00 0.00 H new ATOM 702 N HIS A 46 7.527 0.569 13.412 1.00 0.00 N ATOM 703 CA HIS A 46 7.823 0.816 14.817 1.00 0.00 C ATOM 704 C HIS A 46 7.066 -0.152 15.718 1.00 0.00 C ATOM 705 O HIS A 46 7.446 -0.372 16.867 1.00 0.00 O ATOM 706 CB HIS A 46 7.472 2.258 15.200 1.00 0.00 C ATOM 707 CG HIS A 46 6.027 2.596 15.009 1.00 0.00 C ATOM 708 ND1 HIS A 46 5.425 2.614 13.767 1.00 0.00 N ATOM 709 CD2 HIS A 46 5.064 2.931 15.899 1.00 0.00 C ATOM 710 CE1 HIS A 46 4.152 2.945 13.905 1.00 0.00 C ATOM 711 NE2 HIS A 46 3.909 3.142 15.187 1.00 0.00 N ATOM 0 H HIS A 46 6.770 1.140 13.035 1.00 0.00 H new ATOM 0 HA HIS A 46 8.892 0.659 14.959 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.740 2.423 16.244 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.078 2.941 14.604 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.182 3.016 16.969 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.433 3.038 13.104 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.008 3.408 15.585 1.00 0.00 H new ATOM 718 N ARG A 47 5.992 -0.728 15.189 1.00 0.00 N ATOM 719 CA ARG A 47 5.166 -1.657 15.952 1.00 0.00 C ATOM 720 C ARG A 47 4.680 -2.807 15.079 1.00 0.00 C ATOM 721 O ARG A 47 3.592 -2.747 14.505 1.00 0.00 O ATOM 722 CB ARG A 47 3.966 -0.938 16.552 1.00 0.00 C ATOM 723 CG ARG A 47 4.303 0.061 17.648 1.00 0.00 C ATOM 724 CD ARG A 47 4.773 -0.618 18.882 1.00 0.00 C ATOM 725 NE ARG A 47 4.951 0.319 19.981 1.00 0.00 N ATOM 726 CZ ARG A 47 6.071 1.034 20.203 1.00 0.00 C ATOM 727 NH1 ARG A 47 7.101 0.909 19.395 1.00 0.00 N ATOM 728 NH2 ARG A 47 6.134 1.861 21.232 1.00 0.00 N ATOM 0 H ARG A 47 5.673 -0.568 14.234 1.00 0.00 H new ATOM 0 HA ARG A 47 5.784 -2.062 16.754 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.437 -0.416 15.755 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.280 -1.682 16.956 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.074 0.745 17.293 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.423 0.662 17.876 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.054 -1.385 19.171 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.716 -1.125 18.681 1.00 0.00 H new ATOM 0 HE ARG A 47 4.173 0.443 20.629 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.052 0.271 18.601 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.949 1.450 19.563 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.335 1.958 21.858 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.982 2.402 21.400 1.00 0.00 H new ATOM 742 N VAL A 48 5.493 -3.854 14.982 1.00 0.00 N ATOM 743 CA VAL A 48 5.122 -5.044 14.226 1.00 0.00 C ATOM 744 C VAL A 48 4.599 -6.141 15.145 1.00 0.00 C ATOM 745 O VAL A 48 5.289 -6.571 16.069 1.00 0.00 O ATOM 746 CB VAL A 48 6.333 -5.574 13.437 1.00 0.00 C ATOM 747 CG1 VAL A 48 5.967 -6.849 12.692 1.00 0.00 C ATOM 748 CG2 VAL A 48 6.829 -4.509 12.471 1.00 0.00 C ATOM 0 H VAL A 48 6.414 -3.902 15.418 1.00 0.00 H new ATOM 0 HA VAL A 48 4.329 -4.762 13.534 1.00 0.00 H new ATOM 0 HB VAL A 48 7.135 -5.810 14.137 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.835 -7.210 12.140 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.650 -7.609 13.406 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.154 -6.643 11.996 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.686 -4.891 11.916 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.032 -4.250 11.774 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.125 -3.621 13.029 1.00 0.00 H new ATOM 758 N ILE A 49 3.375 -6.588 14.887 1.00 0.00 N ATOM 759 CA ILE A 49 2.801 -7.713 15.617 1.00 0.00 C ATOM 760 C ILE A 49 2.451 -8.858 14.676 1.00 0.00 C ATOM 761 O ILE A 49 1.387 -8.861 14.055 1.00 0.00 O ATOM 762 CB ILE A 49 1.542 -7.280 16.390 1.00 0.00 C ATOM 763 CG1 ILE A 49 1.864 -6.110 17.325 1.00 0.00 C ATOM 764 CG2 ILE A 49 0.971 -8.451 17.175 1.00 0.00 C ATOM 765 CD1 ILE A 49 0.645 -5.482 17.961 1.00 0.00 C ATOM 0 H ILE A 49 2.761 -6.189 14.178 1.00 0.00 H new ATOM 0 HA ILE A 49 3.553 -8.059 16.326 1.00 0.00 H new ATOM 0 HB ILE A 49 0.791 -6.949 15.672 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.533 -6.459 18.111 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.403 -5.347 16.764 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.081 -8.127 17.716 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.706 -9.255 16.488 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.716 -8.811 17.885 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.954 -4.662 18.609 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.016 -5.101 17.183 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.116 -6.230 18.551 1.00 0.00 H new ATOM 777 N PRO A 50 3.351 -9.830 14.575 1.00 0.00 N ATOM 778 CA PRO A 50 3.154 -10.968 13.685 1.00 0.00 C ATOM 779 C PRO A 50 1.833 -11.670 13.972 1.00 0.00 C ATOM 780 O PRO A 50 1.551 -12.041 15.112 1.00 0.00 O ATOM 781 CB PRO A 50 4.353 -11.866 14.004 1.00 0.00 C ATOM 782 CG PRO A 50 5.416 -10.917 14.440 1.00 0.00 C ATOM 783 CD PRO A 50 4.680 -9.868 15.230 1.00 0.00 C ATOM 0 HA PRO A 50 3.101 -10.689 12.633 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.115 -12.584 14.788 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.665 -12.439 13.131 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.170 -11.417 15.049 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.934 -10.481 13.586 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.603 -10.136 16.284 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.181 -8.901 15.183 1.00 0.00 H new ATOM 791 N GLY A 51 1.026 -11.850 12.932 1.00 0.00 N ATOM 792 CA GLY A 51 -0.246 -12.552 13.062 1.00 0.00 C ATOM 793 C GLY A 51 -1.389 -11.578 13.319 1.00 0.00 C ATOM 794 O GLY A 51 -2.548 -11.981 13.420 1.00 0.00 O ATOM 0 H GLY A 51 1.230 -11.519 11.989 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.446 -13.119 12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.186 -13.270 13.880 1.00 0.00 H new ATOM 798 N PHE A 52 -1.055 -10.297 13.424 1.00 0.00 N ATOM 799 CA PHE A 52 -2.052 -9.264 13.678 1.00 0.00 C ATOM 800 C PHE A 52 -1.918 -8.114 12.689 1.00 0.00 C ATOM 801 O PHE A 52 -2.760 -7.937 11.808 1.00 0.00 O ATOM 802 CB PHE A 52 -1.921 -8.733 15.106 1.00 0.00 C ATOM 803 CG PHE A 52 -2.945 -7.695 15.464 1.00 0.00 C ATOM 804 CD1 PHE A 52 -3.976 -7.386 14.588 1.00 0.00 C ATOM 805 CD2 PHE A 52 -2.881 -7.024 16.675 1.00 0.00 C ATOM 806 CE1 PHE A 52 -4.919 -6.431 14.916 1.00 0.00 C ATOM 807 CE2 PHE A 52 -3.823 -6.070 17.007 1.00 0.00 C ATOM 808 CZ PHE A 52 -4.844 -5.773 16.126 1.00 0.00 C ATOM 0 H PHE A 52 -0.100 -9.949 13.337 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.036 -9.716 13.552 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.004 -9.567 15.803 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.926 -8.308 15.235 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.042 -7.898 13.639 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.084 -7.250 17.368 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.716 -6.199 14.224 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.761 -5.557 17.955 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.582 -5.028 16.384 1.00 0.00 H new ATOM 818 N VAL A 53 -0.853 -7.333 12.838 1.00 0.00 N ATOM 819 CA VAL A 53 -0.697 -6.097 12.080 1.00 0.00 C ATOM 820 C VAL A 53 0.734 -5.581 12.158 1.00 0.00 C ATOM 821 O VAL A 53 1.336 -5.552 13.232 1.00 0.00 O ATOM 822 CB VAL A 53 -1.659 -5.018 12.612 1.00 0.00 C ATOM 823 CG1 VAL A 53 -1.325 -4.672 14.055 1.00 0.00 C ATOM 824 CG2 VAL A 53 -1.588 -3.781 11.731 1.00 0.00 C ATOM 0 H VAL A 53 -0.084 -7.535 13.478 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.933 -6.315 11.038 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.677 -5.407 12.585 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.014 -3.908 14.415 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.417 -5.565 14.674 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.304 -4.295 14.112 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.271 -3.022 12.113 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.571 -3.389 11.735 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.871 -4.044 10.712 1.00 0.00 H new ATOM 834 N SER A 54 1.274 -5.170 11.015 1.00 0.00 N ATOM 835 CA SER A 54 2.561 -4.488 10.976 1.00 0.00 C ATOM 836 C SER A 54 2.381 -2.980 10.848 1.00 0.00 C ATOM 837 O SER A 54 2.128 -2.467 9.758 1.00 0.00 O ATOM 838 CB SER A 54 3.393 -5.007 9.821 1.00 0.00 C ATOM 839 OG SER A 54 3.709 -6.361 9.999 1.00 0.00 O ATOM 0 H SER A 54 0.838 -5.298 10.102 1.00 0.00 H new ATOM 0 HA SER A 54 3.078 -4.693 11.913 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.846 -4.877 8.887 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.310 -4.424 9.737 1.00 0.00 H new ATOM 0 HG SER A 54 4.245 -6.674 9.241 1.00 0.00 H new ATOM 845 N GLN A 55 2.513 -2.275 11.966 1.00 0.00 N ATOM 846 CA GLN A 55 2.394 -0.822 11.975 1.00 0.00 C ATOM 847 C GLN A 55 3.745 -0.158 11.740 1.00 0.00 C ATOM 848 O GLN A 55 4.729 -0.478 12.407 1.00 0.00 O ATOM 849 CB GLN A 55 1.799 -0.341 13.301 1.00 0.00 C ATOM 850 CG GLN A 55 0.392 -0.848 13.571 1.00 0.00 C ATOM 851 CD GLN A 55 -0.104 -0.467 14.953 1.00 0.00 C ATOM 852 OE1 GLN A 55 -0.585 0.649 15.170 1.00 0.00 O ATOM 853 NE2 GLN A 55 0.010 -1.393 15.898 1.00 0.00 N ATOM 0 H GLN A 55 2.703 -2.687 12.879 1.00 0.00 H new ATOM 0 HA GLN A 55 1.726 -0.538 11.162 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.450 -0.658 14.115 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.788 0.749 13.308 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.287 -0.444 12.820 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.373 -1.933 13.467 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.414 -2.303 15.675 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.306 -1.195 16.847 1.00 0.00 H new ATOM 862 N GLY A 56 3.784 0.769 10.789 1.00 0.00 N ATOM 863 CA GLY A 56 5.035 1.406 10.391 1.00 0.00 C ATOM 864 C GLY A 56 4.778 2.609 9.494 1.00 0.00 C ATOM 865 O GLY A 56 3.740 3.262 9.596 1.00 0.00 O ATOM 0 H GLY A 56 2.964 1.096 10.279 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.584 1.721 11.278 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.663 0.685 9.867 1.00 0.00 H new ATOM 869 N GLY A 57 5.732 2.898 8.615 1.00 0.00 N ATOM 870 CA GLY A 57 5.699 4.121 7.822 1.00 0.00 C ATOM 871 C GLY A 57 6.120 5.328 8.653 1.00 0.00 C ATOM 872 O GLY A 57 5.763 6.464 8.342 1.00 0.00 O ATOM 0 H GLY A 57 6.539 2.301 8.434 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.362 4.019 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.693 4.278 7.432 1.00 0.00 H new ATOM 876 N CYS A 58 6.882 5.072 9.712 1.00 0.00 N ATOM 877 CA CYS A 58 7.299 6.128 10.628 1.00 0.00 C ATOM 878 C CYS A 58 8.747 6.530 10.383 1.00 0.00 C ATOM 879 O CYS A 58 9.653 5.701 10.459 1.00 0.00 O ATOM 880 CB CYS A 58 7.139 5.675 12.079 1.00 0.00 C ATOM 881 SG CYS A 58 7.514 6.957 13.298 1.00 0.00 S ATOM 0 H CYS A 58 7.223 4.142 9.957 1.00 0.00 H new ATOM 0 HA CYS A 58 6.659 6.991 10.445 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.115 5.333 12.231 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.791 4.819 12.255 1.00 0.00 H new ATOM 0 HG CYS A 58 7.330 8.129 12.766 1.00 0.00 H new ATOM 887 N PRO A 59 8.959 7.808 10.087 1.00 0.00 N ATOM 888 CA PRO A 59 10.295 8.317 9.802 1.00 0.00 C ATOM 889 C PRO A 59 11.218 8.144 11.001 1.00 0.00 C ATOM 890 O PRO A 59 12.403 7.849 10.848 1.00 0.00 O ATOM 891 CB PRO A 59 10.042 9.796 9.492 1.00 0.00 C ATOM 892 CG PRO A 59 8.629 9.834 9.019 1.00 0.00 C ATOM 893 CD PRO A 59 7.918 8.827 9.884 1.00 0.00 C ATOM 0 HA PRO A 59 10.792 7.792 8.986 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.183 10.418 10.376 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.727 10.166 8.729 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.199 10.829 9.132 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.556 9.573 7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.584 9.262 10.826 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.036 8.417 9.392 1.00 0.00 H new ATOM 901 N ARG A 60 10.667 8.330 12.197 1.00 0.00 N ATOM 902 CA ARG A 60 11.462 8.303 13.418 1.00 0.00 C ATOM 903 C ARG A 60 11.513 6.901 14.011 1.00 0.00 C ATOM 904 O ARG A 60 12.380 6.595 14.831 1.00 0.00 O ATOM 905 CB ARG A 60 10.891 9.265 14.449 1.00 0.00 C ATOM 906 CG ARG A 60 10.937 10.732 14.052 1.00 0.00 C ATOM 907 CD ARG A 60 12.313 11.160 13.691 1.00 0.00 C ATOM 908 NE ARG A 60 12.413 12.603 13.549 1.00 0.00 N ATOM 909 CZ ARG A 60 12.647 13.458 14.564 1.00 0.00 C ATOM 910 NH1 ARG A 60 12.801 12.999 15.786 1.00 0.00 N ATOM 911 NH2 ARG A 60 12.720 14.756 14.331 1.00 0.00 N ATOM 0 H ARG A 60 9.672 8.501 12.345 1.00 0.00 H new ATOM 0 HA ARG A 60 12.474 8.611 13.157 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.855 8.990 14.647 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.438 9.139 15.383 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.270 10.902 13.207 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.570 11.344 14.876 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.011 10.822 14.457 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.608 10.682 12.757 1.00 0.00 H new ATOM 0 HE ARG A 60 12.298 12.996 12.615 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.743 11.997 15.965 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.978 13.645 16.555 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.599 15.111 13.383 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.897 15.403 15.099 1.00 0.00 H new ATOM 925 N GLY A 61 10.582 6.052 13.591 1.00 0.00 N ATOM 926 CA GLY A 61 10.527 4.677 14.072 1.00 0.00 C ATOM 927 C GLY A 61 10.060 4.618 15.520 1.00 0.00 C ATOM 928 O GLY A 61 10.204 3.593 16.188 1.00 0.00 O ATOM 0 H GLY A 61 9.854 6.292 12.918 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.850 4.097 13.445 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.513 4.219 13.986 1.00 0.00 H new ATOM 932 N ASN A 62 9.499 5.722 16.001 1.00 0.00 N ATOM 933 CA ASN A 62 9.025 5.803 17.377 1.00 0.00 C ATOM 934 C ASN A 62 7.539 6.139 17.428 1.00 0.00 C ATOM 935 O ASN A 62 6.988 6.394 18.499 1.00 0.00 O ATOM 936 CB ASN A 62 9.830 6.824 18.160 1.00 0.00 C ATOM 937 CG ASN A 62 11.272 6.427 18.315 1.00 0.00 C ATOM 938 OD1 ASN A 62 11.588 5.446 18.997 1.00 0.00 O ATOM 939 ND2 ASN A 62 12.152 7.170 17.694 1.00 0.00 N ATOM 0 H ASN A 62 9.361 6.574 15.457 1.00 0.00 H new ATOM 0 HA ASN A 62 9.164 4.825 17.838 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.775 7.789 17.656 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.385 6.954 19.146 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.145 6.948 17.762 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.845 7.971 17.142 1.00 0.00 H new ATOM 946 N GLY A 63 6.897 6.135 16.266 1.00 0.00 N ATOM 947 CA GLY A 63 5.490 6.506 16.167 1.00 0.00 C ATOM 948 C GLY A 63 5.333 7.985 15.836 1.00 0.00 C ATOM 949 O GLY A 63 4.218 8.473 15.645 1.00 0.00 O ATOM 0 H GLY A 63 7.329 5.879 15.378 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.006 5.905 15.397 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.986 6.286 17.108 1.00 0.00 H new ATOM 953 N THR A 64 6.455 8.694 15.771 1.00 0.00 N ATOM 954 CA THR A 64 6.440 10.127 15.504 1.00 0.00 C ATOM 955 C THR A 64 6.556 10.411 14.012 1.00 0.00 C ATOM 956 O THR A 64 7.583 10.127 13.395 1.00 0.00 O ATOM 957 CB THR A 64 7.578 10.843 16.257 1.00 0.00 C ATOM 958 OG1 THR A 64 7.401 10.672 17.670 1.00 0.00 O ATOM 959 CG2 THR A 64 7.585 12.327 15.927 1.00 0.00 C ATOM 0 H THR A 64 7.387 8.299 15.900 1.00 0.00 H new ATOM 0 HA THR A 64 5.484 10.512 15.860 1.00 0.00 H new ATOM 0 HB THR A 64 8.528 10.408 15.947 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.126 11.126 18.148 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.395 12.816 16.468 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.731 12.461 14.855 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.633 12.770 16.221 1.00 0.00 H new ATOM 967 N GLY A 65 5.498 10.973 13.438 1.00 0.00 N ATOM 968 CA GLY A 65 5.497 11.341 12.027 1.00 0.00 C ATOM 969 C GLY A 65 6.304 12.611 11.789 1.00 0.00 C ATOM 970 O GLY A 65 5.883 13.705 12.165 1.00 0.00 O ATOM 0 H GLY A 65 4.629 11.184 13.929 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.914 10.526 11.435 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.472 11.489 11.688 1.00 0.00 H new ATOM 974 N ASP A 66 7.465 12.460 11.161 1.00 0.00 N ATOM 975 CA ASP A 66 8.343 13.591 10.891 1.00 0.00 C ATOM 976 C ASP A 66 8.774 13.617 9.429 1.00 0.00 C ATOM 977 O ASP A 66 9.934 13.883 9.119 1.00 0.00 O ATOM 978 CB ASP A 66 9.579 13.539 11.792 1.00 0.00 C ATOM 979 CG ASP A 66 10.390 14.828 11.762 1.00 0.00 C ATOM 980 OD1 ASP A 66 9.796 15.880 11.759 1.00 0.00 O ATOM 981 OD2 ASP A 66 11.595 14.748 11.740 1.00 0.00 O ATOM 0 H ASP A 66 7.820 11.563 10.829 1.00 0.00 H new ATOM 0 HA ASP A 66 7.783 14.502 11.103 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.267 13.336 12.816 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.214 12.709 11.482 1.00 0.00 H new ATOM 986 N ALA A 67 7.830 13.341 8.536 1.00 0.00 N ATOM 987 CA ALA A 67 8.099 13.376 7.103 1.00 0.00 C ATOM 988 C ALA A 67 7.868 14.770 6.533 1.00 0.00 C ATOM 989 O ALA A 67 8.432 15.130 5.501 1.00 0.00 O ATOM 990 CB ALA A 67 7.232 12.358 6.376 1.00 0.00 C ATOM 0 H ALA A 67 6.872 13.091 8.779 1.00 0.00 H new ATOM 0 HA ALA A 67 9.147 13.119 6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.444 12.396 5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.450 11.359 6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.180 12.589 6.545 1.00 0.00 H new ATOM 996 N GLY A 68 7.034 15.550 7.213 1.00 0.00 N ATOM 997 CA GLY A 68 6.669 16.880 6.737 1.00 0.00 C ATOM 998 C GLY A 68 5.384 16.840 5.923 1.00 0.00 C ATOM 999 O GLY A 68 4.810 17.880 5.599 1.00 0.00 O ATOM 0 H GLY A 68 6.598 15.284 8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.544 17.551 7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.476 17.285 6.127 1.00 0.00 H new ATOM 1003 N TYR A 69 4.935 15.634 5.593 1.00 0.00 N ATOM 1004 CA TYR A 69 3.712 15.456 4.820 1.00 0.00 C ATOM 1005 C TYR A 69 2.792 14.431 5.472 1.00 0.00 C ATOM 1006 O TYR A 69 3.252 13.431 6.023 1.00 0.00 O ATOM 1007 CB TYR A 69 4.040 15.036 3.387 1.00 0.00 C ATOM 1008 CG TYR A 69 4.777 16.093 2.595 1.00 0.00 C ATOM 1009 CD1 TYR A 69 6.158 16.186 2.678 1.00 0.00 C ATOM 1010 CD2 TYR A 69 4.070 16.971 1.784 1.00 0.00 C ATOM 1011 CE1 TYR A 69 6.831 17.152 1.955 1.00 0.00 C ATOM 1012 CE2 TYR A 69 4.743 17.936 1.062 1.00 0.00 C ATOM 1013 CZ TYR A 69 6.118 18.029 1.145 1.00 0.00 C ATOM 1014 OH TYR A 69 6.787 18.991 0.425 1.00 0.00 O ATOM 0 H TYR A 69 5.401 14.764 5.850 1.00 0.00 H new ATOM 0 HA TYR A 69 3.190 16.413 4.796 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.643 14.128 3.413 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.113 14.788 2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.708 15.503 3.308 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.994 16.899 1.718 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.907 17.226 2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.193 18.619 0.431 1.00 0.00 H new ATOM 0 HH TYR A 69 6.143 19.521 -0.090 1.00 0.00 H new ATOM 1024 N THR A 70 1.489 14.686 5.407 1.00 0.00 N ATOM 1025 CA THR A 70 0.502 13.790 5.997 1.00 0.00 C ATOM 1026 C THR A 70 -0.647 13.525 5.033 1.00 0.00 C ATOM 1027 O THR A 70 -0.866 14.284 4.089 1.00 0.00 O ATOM 1028 CB THR A 70 -0.050 14.363 7.314 1.00 0.00 C ATOM 1029 OG1 THR A 70 -0.685 15.624 7.061 1.00 0.00 O ATOM 1030 CG2 THR A 70 1.071 14.558 8.324 1.00 0.00 C ATOM 0 H THR A 70 1.092 15.507 4.951 1.00 0.00 H new ATOM 0 HA THR A 70 1.007 12.848 6.208 1.00 0.00 H new ATOM 0 HB THR A 70 -0.774 13.659 7.723 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.038 15.987 7.900 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.661 14.964 9.249 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.547 13.599 8.528 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.809 15.251 7.919 1.00 0.00 H new ATOM 1038 N ILE A 71 -1.377 12.442 5.274 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.555 12.119 4.478 1.00 0.00 C ATOM 1040 C ILE A 71 -3.804 12.045 5.347 1.00 0.00 C ATOM 1041 O ILE A 71 -3.961 11.126 6.150 1.00 0.00 O ATOM 1042 CB ILE A 71 -2.366 10.783 3.736 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -1.160 10.860 2.796 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -3.625 10.421 2.963 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -0.835 9.552 2.111 1.00 0.00 C ATOM 0 H ILE A 71 -1.173 11.772 6.015 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.683 12.918 3.748 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.179 10.001 4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.351 11.619 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.289 11.188 3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.474 9.474 2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.462 10.327 3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.842 11.203 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.030 9.686 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.612 8.794 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.689 9.231 1.515 1.00 0.00 H new ATOM 1057 N PRO A 72 -4.692 13.020 5.181 1.00 0.00 N ATOM 1058 CA PRO A 72 -5.926 13.073 5.955 1.00 0.00 C ATOM 1059 C PRO A 72 -6.725 11.783 5.806 1.00 0.00 C ATOM 1060 O PRO A 72 -6.735 11.168 4.740 1.00 0.00 O ATOM 1061 CB PRO A 72 -6.665 14.268 5.345 1.00 0.00 C ATOM 1062 CG PRO A 72 -5.577 15.149 4.835 1.00 0.00 C ATOM 1063 CD PRO A 72 -4.544 14.195 4.297 1.00 0.00 C ATOM 0 HA PRO A 72 -5.759 13.180 7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.333 13.956 4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.276 14.780 6.088 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.941 15.820 4.057 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.166 15.773 5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.731 13.942 3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.540 14.615 4.348 1.00 0.00 H new ATOM 1071 N CYS A 73 -7.392 11.380 6.881 1.00 0.00 N ATOM 1072 CA CYS A 73 -8.222 10.180 6.863 1.00 0.00 C ATOM 1073 C CYS A 73 -9.364 10.315 5.864 1.00 0.00 C ATOM 1074 O CYS A 73 -10.361 10.987 6.133 1.00 0.00 O ATOM 1075 CB CYS A 73 -8.796 9.902 8.251 1.00 0.00 C ATOM 1076 SG CYS A 73 -9.869 8.447 8.330 1.00 0.00 S ATOM 0 H CYS A 73 -7.375 11.867 7.777 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.587 9.348 6.560 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -7.973 9.771 8.953 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -9.360 10.774 8.580 1.00 0.00 H new ATOM 0 HG CYS A 73 -9.594 7.650 7.340 1.00 0.00 H new ATOM 1082 N GLU A 74 -9.213 9.675 4.711 1.00 0.00 N ATOM 1083 CA GLU A 74 -10.216 9.752 3.654 1.00 0.00 C ATOM 1084 C GLU A 74 -11.412 8.862 3.963 1.00 0.00 C ATOM 1085 O GLU A 74 -11.255 7.682 4.278 1.00 0.00 O ATOM 1086 CB GLU A 74 -9.605 9.355 2.308 1.00 0.00 C ATOM 1087 CG GLU A 74 -10.522 9.569 1.113 1.00 0.00 C ATOM 1088 CD GLU A 74 -9.886 9.177 -0.190 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -8.880 8.509 -0.163 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -10.407 9.545 -1.218 1.00 0.00 O ATOM 0 H GLU A 74 -8.405 9.096 4.483 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.562 10.784 3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.690 9.927 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.320 8.304 2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.435 8.991 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.813 10.618 1.068 1.00 0.00 H new ATOM 1097 N THR A 75 -12.608 9.433 3.871 1.00 0.00 N ATOM 1098 CA THR A 75 -13.835 8.689 4.133 1.00 0.00 C ATOM 1099 C THR A 75 -14.820 8.825 2.979 1.00 0.00 C ATOM 1100 O THR A 75 -15.258 9.927 2.650 1.00 0.00 O ATOM 1101 CB THR A 75 -14.500 9.162 5.439 1.00 0.00 C ATOM 1102 OG1 THR A 75 -13.594 8.980 6.534 1.00 0.00 O ATOM 1103 CG2 THR A 75 -15.774 8.373 5.704 1.00 0.00 C ATOM 0 H THR A 75 -12.754 10.410 3.617 1.00 0.00 H new ATOM 0 HA THR A 75 -13.560 7.639 4.236 1.00 0.00 H new ATOM 0 HB THR A 75 -14.752 10.218 5.339 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.018 9.283 7.364 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.231 8.720 6.631 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.471 8.519 4.879 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.534 7.313 5.793 1.00 0.00 H new ATOM 1111 N ASP A 76 -15.164 7.697 2.366 1.00 0.00 N ATOM 1112 CA ASP A 76 -16.109 7.686 1.256 1.00 0.00 C ATOM 1113 C ASP A 76 -16.872 6.369 1.195 1.00 0.00 C ATOM 1114 O ASP A 76 -17.100 5.725 2.219 1.00 0.00 O ATOM 1115 CB ASP A 76 -15.381 7.924 -0.070 1.00 0.00 C ATOM 1116 CG ASP A 76 -14.396 6.815 -0.412 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.367 5.834 0.294 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -13.682 6.958 -1.376 1.00 0.00 O ATOM 0 H ASP A 76 -14.802 6.778 2.620 1.00 0.00 H new ATOM 0 HA ASP A 76 -16.824 8.492 1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.115 8.011 -0.871 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.848 8.874 -0.021 1.00 0.00 H new ATOM 1123 N ASN A 77 -17.263 5.973 -0.012 1.00 0.00 N ATOM 1124 CA ASN A 77 -18.096 4.792 -0.197 1.00 0.00 C ATOM 1125 C ASN A 77 -17.363 3.527 0.231 1.00 0.00 C ATOM 1126 O ASN A 77 -17.985 2.542 0.628 1.00 0.00 O ATOM 1127 CB ASN A 77 -18.553 4.682 -1.641 1.00 0.00 C ATOM 1128 CG ASN A 77 -19.598 5.703 -1.995 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -20.273 6.251 -1.115 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -19.747 5.969 -3.268 1.00 0.00 N ATOM 0 H ASN A 77 -17.016 6.454 -0.877 1.00 0.00 H new ATOM 0 HA ASN A 77 -18.975 4.900 0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -17.694 4.803 -2.301 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -18.952 3.683 -1.817 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -20.442 6.653 -3.568 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -19.168 5.493 -3.960 1.00 0.00 H new ATOM 1137 N ASN A 78 -16.037 3.561 0.147 1.00 0.00 N ATOM 1138 CA ASN A 78 -15.219 2.396 0.463 1.00 0.00 C ATOM 1139 C ASN A 78 -15.434 1.946 1.903 1.00 0.00 C ATOM 1140 O ASN A 78 -15.184 2.700 2.843 1.00 0.00 O ATOM 1141 CB ASN A 78 -13.752 2.688 0.208 1.00 0.00 C ATOM 1142 CG ASN A 78 -12.864 1.524 0.548 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -13.340 0.400 0.743 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -11.581 1.771 0.622 1.00 0.00 N ATOM 0 H ASN A 78 -15.506 4.384 -0.138 1.00 0.00 H new ATOM 0 HA ASN A 78 -15.529 1.582 -0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.615 2.951 -0.841 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.450 3.555 0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.929 1.020 0.848 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.233 2.715 0.453 1.00 0.00 H new ATOM 1151 N PRO A 79 -15.900 0.713 2.069 1.00 0.00 N ATOM 1152 CA PRO A 79 -16.146 0.159 3.394 1.00 0.00 C ATOM 1153 C PRO A 79 -14.886 0.195 4.249 1.00 0.00 C ATOM 1154 O PRO A 79 -14.959 0.291 5.474 1.00 0.00 O ATOM 1155 CB PRO A 79 -16.582 -1.278 3.092 1.00 0.00 C ATOM 1156 CG PRO A 79 -17.184 -1.198 1.730 1.00 0.00 C ATOM 1157 CD PRO A 79 -16.313 -0.218 0.992 1.00 0.00 C ATOM 0 HA PRO A 79 -16.889 0.717 3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.735 -1.964 3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.303 -1.638 3.826 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -17.189 -2.172 1.240 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.218 -0.857 1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.457 -0.706 0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.859 0.294 0.199 1.00 0.00 H new ATOM 1165 N HIS A 80 -13.731 0.117 3.597 1.00 0.00 N ATOM 1166 CA HIS A 80 -12.459 0.015 4.300 1.00 0.00 C ATOM 1167 C HIS A 80 -12.387 -1.265 5.123 1.00 0.00 C ATOM 1168 O HIS A 80 -12.260 -1.220 6.347 1.00 0.00 O ATOM 1169 CB HIS A 80 -12.244 1.228 5.211 1.00 0.00 C ATOM 1170 CG HIS A 80 -12.231 2.534 4.480 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -11.289 2.838 3.519 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -13.040 3.616 4.570 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -11.522 4.051 3.048 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -12.578 4.543 3.670 1.00 0.00 N ATOM 0 H HIS A 80 -13.650 0.123 2.580 1.00 0.00 H new ATOM 0 HA HIS A 80 -11.670 -0.010 3.549 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -13.032 1.251 5.963 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.300 1.110 5.742 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -13.890 3.728 5.227 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.947 4.554 2.285 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.985 5.464 3.507 1.00 0.00 H new ATOM 1181 N ARG A 81 -12.466 -2.404 4.444 1.00 0.00 N ATOM 1182 CA ARG A 81 -12.346 -3.699 5.103 1.00 0.00 C ATOM 1183 C ARG A 81 -10.887 -4.042 5.379 1.00 0.00 C ATOM 1184 O ARG A 81 -10.017 -3.814 4.541 1.00 0.00 O ATOM 1185 CB ARG A 81 -12.969 -4.794 4.251 1.00 0.00 C ATOM 1186 CG ARG A 81 -14.478 -4.699 4.091 1.00 0.00 C ATOM 1187 CD ARG A 81 -15.189 -5.112 5.328 1.00 0.00 C ATOM 1188 NE ARG A 81 -16.633 -5.061 5.167 1.00 0.00 N ATOM 1189 CZ ARG A 81 -17.522 -5.395 6.123 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -17.100 -5.801 7.299 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -18.818 -5.314 5.877 1.00 0.00 N ATOM 0 H ARG A 81 -12.613 -2.457 3.436 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.878 -3.634 6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.511 -4.770 3.262 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.725 -5.761 4.692 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.753 -3.675 3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.796 -5.329 3.261 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.890 -6.125 5.598 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.892 -4.462 6.151 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.999 -4.751 4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.100 -5.863 7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.773 -6.054 8.023 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.145 -4.999 4.964 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.491 -5.567 6.600 1.00 0.00 H new ATOM 1205 N HIS A 82 -10.628 -4.592 6.560 1.00 0.00 N ATOM 1206 CA HIS A 82 -9.263 -4.866 6.995 1.00 0.00 C ATOM 1207 C HIS A 82 -9.009 -6.364 7.103 1.00 0.00 C ATOM 1208 O HIS A 82 -9.258 -6.972 8.144 1.00 0.00 O ATOM 1209 CB HIS A 82 -8.979 -4.196 8.343 1.00 0.00 C ATOM 1210 CG HIS A 82 -8.882 -2.704 8.265 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -9.992 -1.890 8.184 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -7.809 -1.880 8.254 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -9.605 -0.627 8.128 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -8.285 -0.595 8.168 1.00 0.00 N ATOM 0 H HIS A 82 -11.346 -4.857 7.234 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.590 -4.453 6.243 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.769 -4.464 9.045 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.047 -4.591 8.746 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -10.960 -2.212 8.170 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.772 -2.177 8.304 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.257 0.232 8.061 1.00 0.00 H new ATOM 1221 N VAL A 83 -8.513 -6.955 6.021 1.00 0.00 N ATOM 1222 CA VAL A 83 -8.218 -8.383 5.994 1.00 0.00 C ATOM 1223 C VAL A 83 -6.755 -8.636 5.655 1.00 0.00 C ATOM 1224 O VAL A 83 -5.946 -7.708 5.620 1.00 0.00 O ATOM 1225 CB VAL A 83 -9.112 -9.094 4.962 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -10.579 -8.947 5.337 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -8.851 -8.530 3.574 1.00 0.00 C ATOM 0 H VAL A 83 -8.307 -6.466 5.150 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.420 -8.782 6.988 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.870 -10.157 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.197 -9.456 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -10.750 -9.390 6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.843 -7.890 5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.487 -9.038 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.074 -7.463 3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.805 -8.684 3.309 1.00 0.00 H new ATOM 1237 N THR A 84 -6.420 -9.897 5.407 1.00 0.00 N ATOM 1238 CA THR A 84 -5.047 -10.279 5.099 1.00 0.00 C ATOM 1239 C THR A 84 -4.494 -9.462 3.939 1.00 0.00 C ATOM 1240 O THR A 84 -5.002 -9.532 2.821 1.00 0.00 O ATOM 1241 CB THR A 84 -4.951 -11.780 4.766 1.00 0.00 C ATOM 1242 OG1 THR A 84 -5.422 -12.550 5.879 1.00 0.00 O ATOM 1243 CG2 THR A 84 -3.512 -12.166 4.460 1.00 0.00 C ATOM 0 H THR A 84 -7.082 -10.673 5.413 1.00 0.00 H new ATOM 0 HA THR A 84 -4.449 -10.075 5.987 1.00 0.00 H new ATOM 0 HB THR A 84 -5.566 -11.983 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.818 -12.427 6.641 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.462 -13.230 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.155 -11.590 3.606 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.886 -11.955 5.327 1.00 0.00 H new ATOM 1251 N GLY A 85 -3.451 -8.685 4.213 1.00 0.00 N ATOM 1252 CA GLY A 85 -2.752 -7.946 3.170 1.00 0.00 C ATOM 1253 C GLY A 85 -3.176 -6.482 3.153 1.00 0.00 C ATOM 1254 O GLY A 85 -2.479 -5.630 2.603 1.00 0.00 O ATOM 0 H GLY A 85 -3.071 -8.551 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.676 -8.014 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.958 -8.398 2.200 1.00 0.00 H new ATOM 1258 N ALA A 86 -4.324 -6.198 3.760 1.00 0.00 N ATOM 1259 CA ALA A 86 -4.934 -4.878 3.662 1.00 0.00 C ATOM 1260 C ALA A 86 -3.966 -3.787 4.102 1.00 0.00 C ATOM 1261 O ALA A 86 -3.388 -3.858 5.188 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.208 -4.820 4.493 1.00 0.00 C ATOM 0 H ALA A 86 -4.850 -6.865 4.325 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.186 -4.702 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.652 -3.828 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.915 -5.566 4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.971 -5.025 5.537 1.00 0.00 H new ATOM 1268 N MET A 87 -3.792 -2.780 3.254 1.00 0.00 N ATOM 1269 CA MET A 87 -2.959 -1.631 3.591 1.00 0.00 C ATOM 1270 C MET A 87 -3.810 -0.424 3.960 1.00 0.00 C ATOM 1271 O MET A 87 -4.589 0.071 3.146 1.00 0.00 O ATOM 1272 CB MET A 87 -2.031 -1.293 2.424 1.00 0.00 C ATOM 1273 CG MET A 87 -1.057 -2.401 2.052 1.00 0.00 C ATOM 1274 SD MET A 87 0.009 -1.954 0.668 1.00 0.00 S ATOM 1275 CE MET A 87 1.111 -0.782 1.454 1.00 0.00 C ATOM 0 H MET A 87 -4.217 -2.736 2.328 1.00 0.00 H new ATOM 0 HA MET A 87 -2.355 -1.892 4.460 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.638 -1.052 1.551 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.464 -0.397 2.675 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.440 -2.643 2.917 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.617 -3.301 1.798 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.954 -0.576 0.794 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.573 0.144 1.656 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.478 -1.200 2.392 1.00 0.00 H new ATOM 1285 N SER A 88 -3.656 0.047 5.193 1.00 0.00 N ATOM 1286 CA SER A 88 -4.544 1.067 5.740 1.00 0.00 C ATOM 1287 C SER A 88 -3.760 2.130 6.499 1.00 0.00 C ATOM 1288 O SER A 88 -2.807 1.821 7.213 1.00 0.00 O ATOM 1289 CB SER A 88 -5.567 0.430 6.660 1.00 0.00 C ATOM 1290 OG SER A 88 -6.458 1.388 7.160 1.00 0.00 O ATOM 0 H SER A 88 -2.924 -0.261 5.833 1.00 0.00 H new ATOM 0 HA SER A 88 -5.056 1.548 4.907 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.119 -0.338 6.119 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.059 -0.066 7.487 1.00 0.00 H new ATOM 0 HG SER A 88 -7.277 0.945 7.465 1.00 0.00 H new ATOM 1296 N MET A 89 -4.167 3.384 6.337 1.00 0.00 N ATOM 1297 CA MET A 89 -3.444 4.506 6.926 1.00 0.00 C ATOM 1298 C MET A 89 -3.763 4.649 8.409 1.00 0.00 C ATOM 1299 O MET A 89 -4.830 4.241 8.866 1.00 0.00 O ATOM 1300 CB MET A 89 -3.778 5.798 6.182 1.00 0.00 C ATOM 1301 CG MET A 89 -3.435 5.778 4.700 1.00 0.00 C ATOM 1302 SD MET A 89 -1.672 5.547 4.396 1.00 0.00 S ATOM 1303 CE MET A 89 -1.010 7.068 5.071 1.00 0.00 C ATOM 0 H MET A 89 -4.994 3.650 5.802 1.00 0.00 H new ATOM 0 HA MET A 89 -2.376 4.309 6.830 1.00 0.00 H new ATOM 0 HB2 MET A 89 -4.843 6.002 6.293 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.245 6.623 6.655 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.991 4.977 4.213 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.759 6.714 4.244 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.027 7.184 4.757 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.596 7.912 4.708 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.058 7.034 6.159 1.00 0.00 H new ATOM 1313 N ALA A 90 -2.830 5.230 9.156 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.060 5.544 10.560 1.00 0.00 C ATOM 1315 C ALA A 90 -3.524 6.984 10.734 1.00 0.00 C ATOM 1316 O ALA A 90 -3.031 7.891 10.064 1.00 0.00 O ATOM 1317 CB ALA A 90 -1.797 5.294 11.373 1.00 0.00 C ATOM 0 H ALA A 90 -1.907 5.493 8.811 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.851 4.889 10.925 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.985 5.533 12.420 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.510 4.246 11.286 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.991 5.924 10.996 1.00 0.00 H new ATOM 1323 N HIS A 91 -4.476 7.188 11.639 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.094 8.497 11.818 1.00 0.00 C ATOM 1325 C HIS A 91 -5.642 8.658 13.230 1.00 0.00 C ATOM 1326 O HIS A 91 -5.642 7.713 14.018 1.00 0.00 O ATOM 1327 CB HIS A 91 -6.221 8.707 10.800 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.430 7.861 11.058 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -8.379 8.191 12.004 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -7.843 6.701 10.497 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -9.325 7.268 12.011 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -9.024 6.354 11.107 1.00 0.00 N ATOM 0 H HIS A 91 -4.836 6.463 12.260 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.322 9.250 11.657 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.515 9.757 10.807 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.842 8.489 9.801 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.339 6.151 9.716 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.197 7.262 12.648 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.579 5.524 10.896 1.00 0.00 H new ATOM 1339 N ARG A 92 -6.107 9.863 13.545 1.00 0.00 N ATOM 1340 CA ARG A 92 -6.762 10.122 14.821 1.00 0.00 C ATOM 1341 C ARG A 92 -8.052 10.909 14.629 1.00 0.00 C ATOM 1342 O ARG A 92 -8.324 11.862 15.360 1.00 0.00 O ATOM 1343 CB ARG A 92 -5.835 10.892 15.751 1.00 0.00 C ATOM 1344 CG ARG A 92 -4.518 10.199 16.060 1.00 0.00 C ATOM 1345 CD ARG A 92 -4.712 9.013 16.935 1.00 0.00 C ATOM 1346 NE ARG A 92 -3.447 8.421 17.336 1.00 0.00 N ATOM 1347 CZ ARG A 92 -2.810 7.444 16.661 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -3.333 6.962 15.555 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -1.661 6.973 17.109 1.00 0.00 N ATOM 0 H ARG A 92 -6.042 10.676 12.933 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.004 9.157 15.267 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.622 11.863 15.305 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.359 11.080 16.688 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.042 9.890 15.129 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.842 10.903 16.546 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.273 9.305 17.823 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.311 8.269 16.410 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.010 8.770 18.189 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.220 7.328 15.209 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.852 6.222 15.043 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.255 7.349 17.966 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.179 6.233 16.598 1.00 0.00 H new ATOM 1363 N GLY A 93 -8.842 10.507 13.641 1.00 0.00 N ATOM 1364 CA GLY A 93 -10.084 11.202 13.321 1.00 0.00 C ATOM 1365 C GLY A 93 -10.256 11.358 11.816 1.00 0.00 C ATOM 1366 O GLY A 93 -9.323 11.123 11.047 1.00 0.00 O ATOM 0 H GLY A 93 -8.645 9.702 13.046 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.929 10.649 13.731 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.086 12.184 13.794 1.00 0.00 H new ATOM 1370 N ARG A 94 -11.453 11.757 11.401 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.746 11.958 9.987 1.00 0.00 C ATOM 1372 C ARG A 94 -11.017 13.178 9.440 1.00 0.00 C ATOM 1373 O ARG A 94 -10.925 14.208 10.108 1.00 0.00 O ATOM 1374 CB ARG A 94 -13.244 12.125 9.768 1.00 0.00 C ATOM 1375 CG ARG A 94 -14.072 10.879 10.032 1.00 0.00 C ATOM 1376 CD ARG A 94 -15.520 11.122 9.802 1.00 0.00 C ATOM 1377 NE ARG A 94 -16.080 12.026 10.794 1.00 0.00 N ATOM 1378 CZ ARG A 94 -17.318 12.557 10.731 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -18.108 12.264 9.723 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -17.735 13.371 11.685 1.00 0.00 N ATOM 0 H ARG A 94 -12.237 11.948 12.025 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.398 11.074 9.453 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.604 12.926 10.414 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.413 12.444 8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.731 10.072 9.384 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.917 10.550 11.060 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.665 11.541 8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.057 10.174 9.830 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.496 12.276 11.592 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.785 11.635 8.988 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.044 12.666 9.675 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.121 13.597 12.467 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.671 13.774 11.639 1.00 0.00 H new ATOM 1394 N ASP A 95 -10.499 13.056 8.223 1.00 0.00 N ATOM 1395 CA ASP A 95 -9.701 14.116 7.619 1.00 0.00 C ATOM 1396 C ASP A 95 -8.584 14.563 8.553 1.00 0.00 C ATOM 1397 O ASP A 95 -8.186 15.729 8.548 1.00 0.00 O ATOM 1398 CB ASP A 95 -10.583 15.314 7.259 1.00 0.00 C ATOM 1399 CG ASP A 95 -11.644 14.977 6.221 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -11.296 14.430 5.201 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -12.792 15.269 6.456 1.00 0.00 O ATOM 0 H ASP A 95 -10.618 12.232 7.634 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.253 13.715 6.710 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.069 15.685 8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -9.955 16.121 6.881 1.00 0.00 H new ATOM 1406 N THR A 96 -8.080 13.631 9.355 1.00 0.00 N ATOM 1407 CA THR A 96 -7.054 13.943 10.343 1.00 0.00 C ATOM 1408 C THR A 96 -6.148 12.744 10.593 1.00 0.00 C ATOM 1409 O THR A 96 -6.265 12.069 11.617 1.00 0.00 O ATOM 1410 CB THR A 96 -7.684 14.401 11.671 1.00 0.00 C ATOM 1411 OG1 THR A 96 -8.616 15.461 11.420 1.00 0.00 O ATOM 1412 CG2 THR A 96 -6.610 14.893 12.629 1.00 0.00 C ATOM 0 H THR A 96 -8.366 12.652 9.340 1.00 0.00 H new ATOM 0 HA THR A 96 -6.454 14.758 9.939 1.00 0.00 H new ATOM 0 HB THR A 96 -8.199 13.553 12.123 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.438 15.090 11.037 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.074 15.213 13.562 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.906 14.086 12.831 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.080 15.733 12.181 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.246 12.484 9.653 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.342 11.344 9.754 1.00 0.00 C ATOM 1422 C GLY A 97 -2.922 11.731 9.365 1.00 0.00 C ATOM 1423 O GLY A 97 -2.645 12.892 9.064 1.00 0.00 O ATOM 0 H GLY A 97 -5.121 13.048 8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.350 10.959 10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.693 10.540 9.107 1.00 0.00 H new ATOM 1427 N SER A 98 -2.024 10.752 9.372 1.00 0.00 N ATOM 1428 CA SER A 98 -0.622 10.995 9.052 1.00 0.00 C ATOM 1429 C SER A 98 -0.183 10.179 7.843 1.00 0.00 C ATOM 1430 O SER A 98 -0.991 9.487 7.223 1.00 0.00 O ATOM 1431 CB SER A 98 0.251 10.659 10.245 1.00 0.00 C ATOM 1432 OG SER A 98 0.347 9.272 10.422 1.00 0.00 O ATOM 0 H SER A 98 -2.242 9.781 9.596 1.00 0.00 H new ATOM 0 HA SER A 98 -0.511 12.052 8.809 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.246 11.081 10.102 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.163 11.116 11.144 1.00 0.00 H new ATOM 0 HG SER A 98 0.779 9.081 11.281 1.00 0.00 H new ATOM 1438 N CYS A 99 1.102 10.263 7.514 1.00 0.00 N ATOM 1439 CA CYS A 99 1.670 9.462 6.437 1.00 0.00 C ATOM 1440 C CYS A 99 1.966 8.042 6.903 1.00 0.00 C ATOM 1441 O CYS A 99 2.304 7.173 6.100 1.00 0.00 O ATOM 1442 CB CYS A 99 2.957 10.100 5.914 1.00 0.00 C ATOM 1443 SG CYS A 99 4.287 10.191 7.138 1.00 0.00 S ATOM 0 H CYS A 99 1.770 10.878 7.979 1.00 0.00 H new ATOM 0 HA CYS A 99 0.933 9.422 5.635 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.308 9.531 5.053 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.733 11.107 5.561 1.00 0.00 H new ATOM 0 HG CYS A 99 5.427 10.334 6.530 1.00 0.00 H new ATOM 1449 N GLN A 100 1.836 7.813 8.205 1.00 0.00 N ATOM 1450 CA GLN A 100 2.041 6.486 8.774 1.00 0.00 C ATOM 1451 C GLN A 100 0.902 5.545 8.400 1.00 0.00 C ATOM 1452 O GLN A 100 -0.222 5.983 8.153 1.00 0.00 O ATOM 1453 CB GLN A 100 2.170 6.570 10.297 1.00 0.00 C ATOM 1454 CG GLN A 100 3.387 7.341 10.777 1.00 0.00 C ATOM 1455 CD GLN A 100 3.528 7.317 12.287 1.00 0.00 C ATOM 1456 OE1 GLN A 100 3.790 6.269 12.883 1.00 0.00 O ATOM 1457 NE2 GLN A 100 3.358 8.476 12.915 1.00 0.00 N ATOM 0 H GLN A 100 1.589 8.530 8.887 1.00 0.00 H new ATOM 0 HA GLN A 100 2.967 6.086 8.360 1.00 0.00 H new ATOM 0 HB2 GLN A 100 1.273 7.040 10.701 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.211 5.559 10.703 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.284 6.918 10.324 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.316 8.374 10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.142 9.318 12.382 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.443 8.523 13.930 1.00 0.00 H new ATOM 1466 N PHE A 101 1.200 4.251 8.358 1.00 0.00 N ATOM 1467 CA PHE A 101 0.218 3.252 7.955 1.00 0.00 C ATOM 1468 C PHE A 101 0.476 1.917 8.642 1.00 0.00 C ATOM 1469 O PHE A 101 1.407 1.787 9.438 1.00 0.00 O ATOM 1470 CB PHE A 101 0.241 3.062 6.437 1.00 0.00 C ATOM 1471 CG PHE A 101 1.518 2.462 5.921 1.00 0.00 C ATOM 1472 CD1 PHE A 101 2.623 3.261 5.665 1.00 0.00 C ATOM 1473 CD2 PHE A 101 1.617 1.099 5.691 1.00 0.00 C ATOM 1474 CE1 PHE A 101 3.798 2.711 5.190 1.00 0.00 C ATOM 1475 CE2 PHE A 101 2.792 0.545 5.216 1.00 0.00 C ATOM 1476 CZ PHE A 101 3.882 1.351 4.966 1.00 0.00 C ATOM 0 H PHE A 101 2.115 3.869 8.598 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.765 3.613 8.258 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.593 2.423 6.147 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.084 4.028 5.957 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.564 4.325 5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.767 0.462 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.650 3.344 4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.855 -0.519 5.041 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.800 0.920 4.596 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.354 0.927 8.331 1.00 0.00 N ATOM 1487 CA PHE A 102 -0.161 -0.424 8.844 1.00 0.00 C ATOM 1488 C PHE A 102 -0.715 -1.464 7.880 1.00 0.00 C ATOM 1489 O PHE A 102 -1.676 -1.204 7.156 1.00 0.00 O ATOM 1490 CB PHE A 102 -0.834 -0.578 10.210 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.312 -0.308 10.191 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -2.801 0.972 10.399 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -3.216 -1.335 9.964 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -4.159 1.222 10.382 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -4.576 -1.088 9.946 1.00 0.00 C ATOM 1496 CZ PHE A 102 -5.047 0.190 10.155 1.00 0.00 C ATOM 0 H PHE A 102 -1.168 1.035 7.725 1.00 0.00 H new ATOM 0 HA PHE A 102 0.911 -0.588 8.950 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.664 -1.590 10.577 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.359 0.102 10.918 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.111 1.784 10.577 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.853 -2.339 9.799 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -4.526 2.224 10.546 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.269 -1.897 9.768 1.00 0.00 H new ATOM 0 HZ PHE A 102 -6.109 0.384 10.141 1.00 0.00 H new ATOM 1506 N ILE A 103 -0.102 -2.643 7.874 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.559 -3.739 7.028 1.00 0.00 C ATOM 1508 C ILE A 103 -1.165 -4.861 7.861 1.00 0.00 C ATOM 1509 O ILE A 103 -0.507 -5.424 8.736 1.00 0.00 O ATOM 1510 CB ILE A 103 0.597 -4.297 6.179 1.00 0.00 C ATOM 1511 CG1 ILE A 103 1.229 -3.183 5.340 1.00 0.00 C ATOM 1512 CG2 ILE A 103 0.105 -5.427 5.287 1.00 0.00 C ATOM 1513 CD1 ILE A 103 2.487 -3.604 4.615 1.00 0.00 C ATOM 0 H ILE A 103 0.713 -2.864 8.446 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.327 -3.339 6.365 1.00 0.00 H new ATOM 0 HB ILE A 103 1.358 -4.697 6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.500 -2.833 4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.460 -2.339 5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.935 -5.810 4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.299 -6.229 5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.674 -5.053 4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.876 -2.762 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.234 -3.926 5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.259 -4.428 3.939 1.00 0.00 H new ATOM 1525 N VAL A 104 -2.425 -5.182 7.584 1.00 0.00 N ATOM 1526 CA VAL A 104 -3.161 -6.155 8.383 1.00 0.00 C ATOM 1527 C VAL A 104 -2.820 -7.580 7.969 1.00 0.00 C ATOM 1528 O VAL A 104 -2.668 -7.872 6.783 1.00 0.00 O ATOM 1529 CB VAL A 104 -4.678 -5.930 8.235 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -5.451 -6.987 9.009 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -5.044 -4.534 8.716 1.00 0.00 C ATOM 0 H VAL A 104 -2.958 -4.782 6.812 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.870 -6.016 9.424 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.947 -6.018 7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.521 -6.813 8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.201 -7.976 8.624 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.186 -6.931 10.065 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.118 -4.382 8.608 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.765 -4.426 9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.511 -3.793 8.120 1.00 0.00 H new ATOM 1541 N HIS A 105 -2.698 -8.464 8.954 1.00 0.00 N ATOM 1542 CA HIS A 105 -2.292 -9.841 8.701 1.00 0.00 C ATOM 1543 C HIS A 105 -3.502 -10.758 8.570 1.00 0.00 C ATOM 1544 O HIS A 105 -3.501 -11.693 7.770 1.00 0.00 O ATOM 1545 CB HIS A 105 -1.378 -10.350 9.821 1.00 0.00 C ATOM 1546 CG HIS A 105 -0.103 -9.577 9.955 1.00 0.00 C ATOM 1547 ND1 HIS A 105 0.853 -9.875 10.902 1.00 0.00 N ATOM 1548 CD2 HIS A 105 0.373 -8.515 9.262 1.00 0.00 C ATOM 1549 CE1 HIS A 105 1.863 -9.031 10.786 1.00 0.00 C ATOM 1550 NE2 HIS A 105 1.596 -8.196 9.799 1.00 0.00 N ATOM 0 H HIS A 105 -2.875 -8.251 9.936 1.00 0.00 H new ATOM 0 HA HIS A 105 -1.744 -9.853 7.759 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -1.919 -10.308 10.766 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -1.140 -11.397 9.636 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -0.117 -8.013 8.441 1.00 0.00 H new ATOM 0 HE1 HIS A 105 2.755 -9.025 11.395 1.00 0.00 H new ATOM 0 HE2 HIS A 105 2.201 -7.436 9.486 1.00 0.00 H new ATOM 1557 N GLU A 106 -4.534 -10.483 9.362 1.00 0.00 N ATOM 1558 CA GLU A 106 -5.720 -11.330 9.394 1.00 0.00 C ATOM 1559 C GLU A 106 -6.993 -10.494 9.408 1.00 0.00 C ATOM 1560 O GLU A 106 -6.983 -9.336 9.826 1.00 0.00 O ATOM 1561 CB GLU A 106 -5.687 -12.247 10.620 1.00 0.00 C ATOM 1562 CG GLU A 106 -4.533 -13.240 10.631 1.00 0.00 C ATOM 1563 CD GLU A 106 -4.549 -14.140 11.834 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -5.422 -13.989 12.655 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -3.686 -14.981 11.933 1.00 0.00 O ATOM 0 H GLU A 106 -4.572 -9.680 9.990 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.719 -11.939 8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.629 -11.631 11.518 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.626 -12.799 10.672 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.575 -13.848 9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.590 -12.694 10.604 1.00 0.00 H new ATOM 1572 N PRO A 107 -8.089 -11.087 8.948 1.00 0.00 N ATOM 1573 CA PRO A 107 -9.392 -10.433 8.996 1.00 0.00 C ATOM 1574 C PRO A 107 -9.678 -9.875 10.383 1.00 0.00 C ATOM 1575 O PRO A 107 -9.696 -10.613 11.368 1.00 0.00 O ATOM 1576 CB PRO A 107 -10.359 -11.564 8.630 1.00 0.00 C ATOM 1577 CG PRO A 107 -9.558 -12.459 7.748 1.00 0.00 C ATOM 1578 CD PRO A 107 -8.180 -12.447 8.352 1.00 0.00 C ATOM 0 HA PRO A 107 -9.470 -9.576 8.327 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -10.710 -12.090 9.518 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.241 -11.183 8.115 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.972 -13.467 7.724 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.544 -12.095 6.721 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.062 -13.226 9.105 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.408 -12.611 7.600 1.00 0.00 H new ATOM 1586 N GLN A 108 -9.902 -8.567 10.455 1.00 0.00 N ATOM 1587 CA GLN A 108 -10.234 -7.915 11.716 1.00 0.00 C ATOM 1588 C GLN A 108 -11.526 -7.117 11.600 1.00 0.00 C ATOM 1589 O GLN A 108 -11.514 -5.950 11.208 1.00 0.00 O ATOM 1590 CB GLN A 108 -9.092 -6.998 12.163 1.00 0.00 C ATOM 1591 CG GLN A 108 -7.832 -7.735 12.586 1.00 0.00 C ATOM 1592 CD GLN A 108 -8.037 -8.554 13.846 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -8.653 -8.093 14.810 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -7.521 -9.778 13.844 1.00 0.00 N ATOM 0 H GLN A 108 -9.859 -7.937 9.654 1.00 0.00 H new ATOM 0 HA GLN A 108 -10.378 -8.694 12.465 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.846 -6.319 11.347 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.438 -6.385 12.995 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.510 -8.391 11.778 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.031 -7.015 12.750 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -7.019 -10.118 13.024 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.627 -10.377 14.662 1.00 0.00 H new ATOM 1603 N PRO A 109 -12.642 -7.753 11.942 1.00 0.00 N ATOM 1604 CA PRO A 109 -13.943 -7.098 11.893 1.00 0.00 C ATOM 1605 C PRO A 109 -13.941 -5.808 12.704 1.00 0.00 C ATOM 1606 O PRO A 109 -14.675 -4.869 12.397 1.00 0.00 O ATOM 1607 CB PRO A 109 -14.880 -8.145 12.503 1.00 0.00 C ATOM 1608 CG PRO A 109 -14.222 -9.447 12.194 1.00 0.00 C ATOM 1609 CD PRO A 109 -12.750 -9.169 12.348 1.00 0.00 C ATOM 0 HA PRO A 109 -14.238 -6.799 10.887 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -14.993 -8.001 13.577 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -15.878 -8.089 12.067 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -14.552 -10.231 12.876 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -14.459 -9.782 11.184 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -12.414 -9.323 13.373 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -12.147 -9.819 11.714 1.00 0.00 H new ATOM 1617 N HIS A 110 -13.111 -5.769 13.741 1.00 0.00 N ATOM 1618 CA HIS A 110 -13.097 -4.644 14.669 1.00 0.00 C ATOM 1619 C HIS A 110 -12.421 -3.427 14.051 1.00 0.00 C ATOM 1620 O HIS A 110 -12.577 -2.306 14.534 1.00 0.00 O ATOM 1621 CB HIS A 110 -12.384 -5.025 15.971 1.00 0.00 C ATOM 1622 CG HIS A 110 -13.093 -6.083 16.758 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -14.303 -5.860 17.382 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -12.764 -7.369 17.023 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -14.687 -6.965 17.997 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -13.771 -7.894 17.794 1.00 0.00 N ATOM 0 H HIS A 110 -12.439 -6.504 13.960 1.00 0.00 H new ATOM 0 HA HIS A 110 -14.133 -4.389 14.891 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.378 -5.373 15.736 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -12.277 -4.134 16.590 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -11.876 -7.885 16.690 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.595 -7.087 18.568 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -13.806 -8.848 18.152 1.00 0.00 H new ATOM 1633 N LEU A 111 -11.670 -3.655 12.978 1.00 0.00 N ATOM 1634 CA LEU A 111 -10.964 -2.578 12.294 1.00 0.00 C ATOM 1635 C LEU A 111 -11.722 -2.124 11.054 1.00 0.00 C ATOM 1636 O LEU A 111 -11.426 -1.074 10.483 1.00 0.00 O ATOM 1637 CB LEU A 111 -9.554 -3.034 11.901 1.00 0.00 C ATOM 1638 CG LEU A 111 -8.618 -3.381 13.066 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -7.272 -3.837 12.518 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -8.458 -2.167 13.969 1.00 0.00 C ATOM 0 H LEU A 111 -11.535 -4.577 12.563 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.893 -1.735 12.981 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.641 -3.909 11.256 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.089 -2.246 11.308 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.043 -4.194 13.655 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.607 -4.084 13.346 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.414 -4.718 11.892 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.831 -3.036 11.924 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.793 -2.414 14.796 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.034 -1.341 13.397 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.432 -1.874 14.361 1.00 0.00 H new ATOM 1652 N ASP A 112 -12.702 -2.921 10.641 1.00 0.00 N ATOM 1653 CA ASP A 112 -13.458 -2.639 9.426 1.00 0.00 C ATOM 1654 C ASP A 112 -14.178 -1.300 9.523 1.00 0.00 C ATOM 1655 O ASP A 112 -15.053 -1.115 10.370 1.00 0.00 O ATOM 1656 CB ASP A 112 -14.473 -3.753 9.156 1.00 0.00 C ATOM 1657 CG ASP A 112 -13.819 -5.057 8.720 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -12.618 -5.082 8.589 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -14.527 -6.016 8.523 1.00 0.00 O ATOM 0 H ASP A 112 -12.991 -3.768 11.130 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.749 -2.591 8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -15.059 -3.930 10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -15.168 -3.425 8.383 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.805 -0.370 8.652 1.00 0.00 N ATOM 1665 CA GLY A 113 -14.480 0.921 8.574 1.00 0.00 C ATOM 1666 C GLY A 113 -13.890 1.911 9.571 1.00 0.00 C ATOM 1667 O GLY A 113 -14.357 3.045 9.683 1.00 0.00 O ATOM 0 H GLY A 113 -13.038 -0.485 7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -14.391 1.321 7.564 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -15.544 0.791 8.772 1.00 0.00 H new ATOM 1671 N VAL A 114 -12.863 1.476 10.292 1.00 0.00 N ATOM 1672 CA VAL A 114 -12.221 2.317 11.296 1.00 0.00 C ATOM 1673 C VAL A 114 -11.130 3.181 10.675 1.00 0.00 C ATOM 1674 O VAL A 114 -11.086 4.392 10.893 1.00 0.00 O ATOM 1675 CB VAL A 114 -11.611 1.447 12.410 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -10.852 2.313 13.406 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -12.707 0.657 13.108 1.00 0.00 C ATOM 0 H VAL A 114 -12.457 0.545 10.200 1.00 0.00 H new ATOM 0 HA VAL A 114 -12.984 2.970 11.719 1.00 0.00 H new ATOM 0 HB VAL A 114 -10.905 0.746 11.965 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -10.427 1.682 14.187 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -10.050 2.842 12.891 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -11.534 3.035 13.854 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -12.268 0.044 13.895 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -13.430 1.346 13.545 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -13.209 0.015 12.385 1.00 0.00 H new ATOM 1687 N HIS A 115 -10.254 2.551 9.901 1.00 0.00 N ATOM 1688 CA HIS A 115 -9.159 3.261 9.249 1.00 0.00 C ATOM 1689 C HIS A 115 -9.339 3.281 7.737 1.00 0.00 C ATOM 1690 O HIS A 115 -10.202 2.589 7.195 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.813 2.620 9.600 1.00 0.00 C ATOM 1692 CG HIS A 115 -7.454 2.729 11.049 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.891 3.864 11.592 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -7.577 1.845 12.067 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -6.683 3.674 12.884 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -7.091 2.457 13.196 1.00 0.00 N ATOM 0 H HIS A 115 -10.280 1.550 9.709 1.00 0.00 H new ATOM 0 HA HIS A 115 -9.171 4.288 9.614 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.838 1.567 9.319 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -7.030 3.090 9.005 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.982 0.846 12.003 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -6.253 4.391 13.567 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.051 2.039 14.126 1.00 0.00 H new ATOM 1703 N THR A 116 -8.522 4.079 7.059 1.00 0.00 N ATOM 1704 CA THR A 116 -8.665 4.282 5.622 1.00 0.00 C ATOM 1705 C THR A 116 -7.825 3.281 4.839 1.00 0.00 C ATOM 1706 O THR A 116 -6.595 3.334 4.864 1.00 0.00 O ATOM 1707 CB THR A 116 -8.269 5.715 5.222 1.00 0.00 C ATOM 1708 OG1 THR A 116 -9.133 6.652 5.878 1.00 0.00 O ATOM 1709 CG2 THR A 116 -8.379 5.897 3.716 1.00 0.00 C ATOM 0 H THR A 116 -7.752 4.597 7.482 1.00 0.00 H new ATOM 0 HA THR A 116 -9.716 4.126 5.377 1.00 0.00 H new ATOM 0 HB THR A 116 -7.236 5.889 5.524 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.827 6.950 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.095 6.916 3.451 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.714 5.193 3.215 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.406 5.713 3.401 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.495 2.369 4.142 1.00 0.00 N ATOM 1718 CA VAL A 117 -7.814 1.391 3.304 1.00 0.00 C ATOM 1719 C VAL A 117 -7.606 1.925 1.892 1.00 0.00 C ATOM 1720 O VAL A 117 -8.521 2.483 1.288 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.625 0.084 3.240 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -7.953 -0.916 2.311 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.779 -0.499 4.637 1.00 0.00 C ATOM 0 H VAL A 117 -9.512 2.288 4.142 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.839 1.195 3.751 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.616 0.303 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.540 -1.834 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.885 -0.493 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.952 -1.139 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.354 -1.424 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.794 -0.707 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.300 0.216 5.274 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.395 1.750 1.371 1.00 0.00 N ATOM 1734 CA PHE A 118 -6.001 2.387 0.121 1.00 0.00 C ATOM 1735 C PHE A 118 -5.325 1.393 -0.814 1.00 0.00 C ATOM 1736 O PHE A 118 -5.213 1.634 -2.016 1.00 0.00 O ATOM 1737 CB PHE A 118 -5.058 3.562 0.393 1.00 0.00 C ATOM 1738 CG PHE A 118 -3.739 3.155 0.986 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -3.596 3.002 2.357 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -2.639 2.923 0.174 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -2.384 2.629 2.904 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.425 2.549 0.718 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.298 2.403 2.083 1.00 0.00 C ATOM 0 H PHE A 118 -5.670 1.172 1.796 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.906 2.756 -0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -4.877 4.095 -0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.550 4.262 1.069 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.443 3.177 3.005 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -2.732 3.036 -0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -2.286 2.514 3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -0.576 2.371 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.349 2.112 2.509 1.00 0.00 H new ATOM 1753 N GLY A 119 -4.874 0.275 -0.255 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.174 -0.741 -1.030 1.00 0.00 C ATOM 1755 C GLY A 119 -4.241 -2.101 -0.346 1.00 0.00 C ATOM 1756 O GLY A 119 -4.881 -2.250 0.694 1.00 0.00 O ATOM 0 H GLY A 119 -4.981 0.050 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.614 -0.810 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.132 -0.448 -1.161 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.577 -3.089 -0.937 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.512 -4.423 -0.354 1.00 0.00 C ATOM 1762 C GLN A 120 -2.339 -5.214 -0.918 1.00 0.00 C ATOM 1763 O GLN A 120 -2.157 -5.293 -2.133 1.00 0.00 O ATOM 1764 CB GLN A 120 -4.819 -5.181 -0.601 1.00 0.00 C ATOM 1765 CG GLN A 120 -4.868 -6.561 0.034 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.171 -7.282 -0.252 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -6.951 -6.868 -1.114 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -6.415 -8.369 0.471 1.00 0.00 N ATOM 0 H GLN A 120 -3.076 -2.990 -1.820 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.364 -4.309 0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -5.649 -4.587 -0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -4.970 -5.282 -1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.036 -7.159 -0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -4.737 -6.467 1.112 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -5.742 -8.676 1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.275 -8.897 0.324 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.542 -5.797 -0.028 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.459 -6.684 -0.435 1.00 0.00 C ATOM 1779 C VAL A 121 -1.000 -7.948 -1.091 1.00 0.00 C ATOM 1780 O VAL A 121 -1.906 -8.594 -0.565 1.00 0.00 O ATOM 1781 CB VAL A 121 0.403 -7.069 0.782 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.468 -8.079 0.382 1.00 0.00 C ATOM 1783 CG2 VAL A 121 1.038 -5.824 1.381 1.00 0.00 C ATOM 0 H VAL A 121 -1.626 -5.671 0.981 1.00 0.00 H new ATOM 0 HA VAL A 121 0.153 -6.148 -1.161 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.235 -7.532 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.068 -8.340 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.989 -8.976 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.111 -7.646 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.646 -6.104 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.667 -5.341 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.256 -5.134 1.698 1.00 0.00 H new ATOM 1793 N THR A 122 -0.438 -8.297 -2.244 1.00 0.00 N ATOM 1794 CA THR A 122 -0.947 -9.408 -3.039 1.00 0.00 C ATOM 1795 C THR A 122 0.105 -10.498 -3.202 1.00 0.00 C ATOM 1796 O THR A 122 -0.222 -11.660 -3.442 1.00 0.00 O ATOM 1797 CB THR A 122 -1.414 -8.929 -4.427 1.00 0.00 C ATOM 1798 OG1 THR A 122 -0.311 -8.341 -5.127 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.528 -7.902 -4.289 1.00 0.00 C ATOM 0 H THR A 122 0.371 -7.826 -2.649 1.00 0.00 H new ATOM 0 HA THR A 122 -1.801 -9.822 -2.503 1.00 0.00 H new ATOM 0 HB THR A 122 -1.791 -9.787 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.608 -8.038 -6.010 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.846 -7.575 -5.279 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.373 -8.350 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 122 -2.164 -7.045 -3.723 1.00 0.00 H new ATOM 1807 N SER A 123 1.370 -10.114 -3.070 1.00 0.00 N ATOM 1808 CA SER A 123 2.473 -11.060 -3.194 1.00 0.00 C ATOM 1809 C SER A 123 3.609 -10.711 -2.241 1.00 0.00 C ATOM 1810 O SER A 123 3.978 -9.544 -2.102 1.00 0.00 O ATOM 1811 CB SER A 123 2.987 -11.078 -4.620 1.00 0.00 C ATOM 1812 OG SER A 123 4.056 -11.973 -4.758 1.00 0.00 O ATOM 0 H SER A 123 1.657 -9.154 -2.877 1.00 0.00 H new ATOM 0 HA SER A 123 2.098 -12.049 -2.931 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.181 -11.362 -5.297 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.307 -10.077 -4.907 1.00 0.00 H new ATOM 0 HG SER A 123 4.369 -11.968 -5.687 1.00 0.00 H new ATOM 1818 N GLY A 124 4.160 -11.727 -1.587 1.00 0.00 N ATOM 1819 CA GLY A 124 5.222 -11.523 -0.609 1.00 0.00 C ATOM 1820 C GLY A 124 4.650 -11.212 0.769 1.00 0.00 C ATOM 1821 O GLY A 124 5.357 -10.724 1.650 1.00 0.00 O ATOM 0 H GLY A 124 3.888 -12.702 -1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.846 -12.415 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.865 -10.704 -0.932 1.00 0.00 H new ATOM 1825 N MET A 125 3.365 -11.497 0.948 1.00 0.00 N ATOM 1826 CA MET A 125 2.696 -11.254 2.221 1.00 0.00 C ATOM 1827 C MET A 125 3.414 -11.958 3.364 1.00 0.00 C ATOM 1828 O MET A 125 3.395 -11.493 4.503 1.00 0.00 O ATOM 1829 CB MET A 125 1.239 -11.707 2.148 1.00 0.00 C ATOM 1830 CG MET A 125 0.425 -11.412 3.399 1.00 0.00 C ATOM 1831 SD MET A 125 0.261 -9.647 3.725 1.00 0.00 S ATOM 1832 CE MET A 125 -0.140 -9.659 5.469 1.00 0.00 C ATOM 0 H MET A 125 2.765 -11.897 0.227 1.00 0.00 H new ATOM 0 HA MET A 125 2.723 -10.182 2.418 1.00 0.00 H new ATOM 0 HB2 MET A 125 0.763 -11.221 1.296 1.00 0.00 H new ATOM 0 HB3 MET A 125 1.214 -12.780 1.958 1.00 0.00 H new ATOM 0 HG2 MET A 125 -0.567 -11.851 3.293 1.00 0.00 H new ATOM 0 HG3 MET A 125 0.897 -11.893 4.256 1.00 0.00 H new ATOM 0 HE1 MET A 125 -0.496 -8.673 5.767 1.00 0.00 H new ATOM 0 HE2 MET A 125 -0.918 -10.398 5.658 1.00 0.00 H new ATOM 0 HE3 MET A 125 0.750 -9.913 6.045 1.00 0.00 H new ATOM 1842 N ASP A 126 4.049 -13.083 3.053 1.00 0.00 N ATOM 1843 CA ASP A 126 4.840 -13.815 4.036 1.00 0.00 C ATOM 1844 C ASP A 126 5.861 -12.904 4.707 1.00 0.00 C ATOM 1845 O ASP A 126 6.090 -12.995 5.914 1.00 0.00 O ATOM 1846 CB ASP A 126 5.555 -14.996 3.378 1.00 0.00 C ATOM 1847 CG ASP A 126 4.610 -16.135 3.018 1.00 0.00 C ATOM 1848 OD1 ASP A 126 3.487 -16.112 3.463 1.00 0.00 O ATOM 1849 OD2 ASP A 126 5.020 -17.015 2.301 1.00 0.00 O ATOM 0 H ASP A 126 4.031 -13.509 2.126 1.00 0.00 H new ATOM 0 HA ASP A 126 4.157 -14.191 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 126 6.061 -14.651 2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 126 6.326 -15.369 4.053 1.00 0.00 H new ATOM 1854 N VAL A 127 6.474 -12.028 3.918 1.00 0.00 N ATOM 1855 CA VAL A 127 7.460 -11.089 4.438 1.00 0.00 C ATOM 1856 C VAL A 127 6.846 -10.166 5.483 1.00 0.00 C ATOM 1857 O VAL A 127 7.504 -9.783 6.451 1.00 0.00 O ATOM 1858 CB VAL A 127 8.046 -10.243 3.293 1.00 0.00 C ATOM 1859 CG1 VAL A 127 8.945 -9.146 3.847 1.00 0.00 C ATOM 1860 CG2 VAL A 127 8.815 -11.135 2.330 1.00 0.00 C ATOM 0 H VAL A 127 6.305 -11.949 2.915 1.00 0.00 H new ATOM 0 HA VAL A 127 8.254 -11.669 4.909 1.00 0.00 H new ATOM 0 HB VAL A 127 7.228 -9.768 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.351 -8.558 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.366 -8.498 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.763 -9.596 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.227 -10.529 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.627 -11.630 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.143 -11.886 1.914 1.00 0.00 H new ATOM 1870 N VAL A 128 5.581 -9.814 5.284 1.00 0.00 N ATOM 1871 CA VAL A 128 4.867 -8.955 6.222 1.00 0.00 C ATOM 1872 C VAL A 128 4.494 -9.714 7.489 1.00 0.00 C ATOM 1873 O VAL A 128 4.682 -9.216 8.600 1.00 0.00 O ATOM 1874 CB VAL A 128 3.590 -8.395 5.568 1.00 0.00 C ATOM 1875 CG1 VAL A 128 2.770 -7.615 6.585 1.00 0.00 C ATOM 1876 CG2 VAL A 128 3.958 -7.516 4.383 1.00 0.00 C ATOM 0 H VAL A 128 5.028 -10.111 4.480 1.00 0.00 H new ATOM 0 HA VAL A 128 5.531 -8.133 6.490 1.00 0.00 H new ATOM 0 HB VAL A 128 2.982 -9.226 5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.871 -7.226 6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.488 -8.273 7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.363 -6.786 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.050 -7.123 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.580 -6.688 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.508 -8.106 3.650 1.00 0.00 H new ATOM 1886 N ARG A 129 3.966 -10.921 7.316 1.00 0.00 N ATOM 1887 CA ARG A 129 3.527 -11.733 8.445 1.00 0.00 C ATOM 1888 C ARG A 129 4.702 -12.124 9.332 1.00 0.00 C ATOM 1889 O ARG A 129 4.560 -12.248 10.548 1.00 0.00 O ATOM 1890 CB ARG A 129 2.823 -12.991 7.957 1.00 0.00 C ATOM 1891 CG ARG A 129 1.481 -12.752 7.285 1.00 0.00 C ATOM 1892 CD ARG A 129 0.934 -14.000 6.692 1.00 0.00 C ATOM 1893 NE ARG A 129 0.637 -14.998 7.708 1.00 0.00 N ATOM 1894 CZ ARG A 129 0.316 -16.281 7.449 1.00 0.00 C ATOM 1895 NH1 ARG A 129 0.255 -16.706 6.207 1.00 0.00 N ATOM 1896 NH2 ARG A 129 0.063 -17.112 8.445 1.00 0.00 N ATOM 0 H ARG A 129 3.832 -11.359 6.405 1.00 0.00 H new ATOM 0 HA ARG A 129 2.831 -11.132 9.030 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.478 -13.507 7.255 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.675 -13.659 8.805 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.774 -12.355 8.014 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.593 -11.998 6.506 1.00 0.00 H new ATOM 0 HD2 ARG A 129 0.027 -13.769 6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.651 -14.409 5.980 1.00 0.00 H new ATOM 0 HE ARG A 129 0.674 -14.706 8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.451 -16.065 5.438 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.012 -17.677 6.012 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.111 -16.782 9.409 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -0.180 -18.083 8.250 1.00 0.00 H new ATOM 1910 N THR A 130 5.863 -12.318 8.716 1.00 0.00 N ATOM 1911 CA THR A 130 7.073 -12.665 9.452 1.00 0.00 C ATOM 1912 C THR A 130 7.971 -11.448 9.640 1.00 0.00 C ATOM 1913 O THR A 130 9.148 -11.580 9.974 1.00 0.00 O ATOM 1914 CB THR A 130 7.856 -13.781 8.738 1.00 0.00 C ATOM 1915 OG1 THR A 130 8.247 -13.335 7.432 1.00 0.00 O ATOM 1916 CG2 THR A 130 7.001 -15.033 8.607 1.00 0.00 C ATOM 0 H THR A 130 5.992 -12.241 7.707 1.00 0.00 H new ATOM 0 HA THR A 130 6.762 -13.026 10.432 1.00 0.00 H new ATOM 0 HB THR A 130 8.741 -14.018 9.329 1.00 0.00 H new ATOM 0 HG1 THR A 130 7.464 -13.319 6.844 1.00 0.00 H new ATOM 0 HG21 THR A 130 7.571 -15.811 8.100 1.00 0.00 H new ATOM 0 HG22 THR A 130 6.713 -15.382 9.599 1.00 0.00 H new ATOM 0 HG23 THR A 130 6.106 -14.804 8.029 1.00 0.00 H new ATOM 1924 N MET A 131 7.408 -10.265 9.422 1.00 0.00 N ATOM 1925 CA MET A 131 8.146 -9.021 9.605 1.00 0.00 C ATOM 1926 C MET A 131 8.585 -8.848 11.053 1.00 0.00 C ATOM 1927 O MET A 131 7.907 -9.302 11.975 1.00 0.00 O ATOM 1928 CB MET A 131 7.296 -7.833 9.160 1.00 0.00 C ATOM 1929 CG MET A 131 8.034 -6.501 9.143 1.00 0.00 C ATOM 1930 SD MET A 131 6.998 -5.140 8.570 1.00 0.00 S ATOM 1931 CE MET A 131 6.971 -5.455 6.807 1.00 0.00 C ATOM 0 H MET A 131 6.442 -10.141 9.118 1.00 0.00 H new ATOM 0 HA MET A 131 9.043 -9.065 8.987 1.00 0.00 H new ATOM 0 HB2 MET A 131 6.909 -8.033 8.161 1.00 0.00 H new ATOM 0 HB3 MET A 131 6.435 -7.749 9.824 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.397 -6.278 10.146 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.909 -6.583 8.498 1.00 0.00 H new ATOM 0 HE1 MET A 131 7.273 -4.555 6.272 1.00 0.00 H new ATOM 0 HE2 MET A 131 7.661 -6.266 6.572 1.00 0.00 H new ATOM 0 HE3 MET A 131 5.963 -5.737 6.503 1.00 0.00 H new ATOM 1941 N LYS A 132 9.723 -8.190 11.247 1.00 0.00 N ATOM 1942 CA LYS A 132 10.216 -7.891 12.586 1.00 0.00 C ATOM 1943 C LYS A 132 10.117 -6.403 12.890 1.00 0.00 C ATOM 1944 O LYS A 132 10.205 -5.568 11.990 1.00 0.00 O ATOM 1945 CB LYS A 132 11.663 -8.365 12.742 1.00 0.00 C ATOM 1946 CG LYS A 132 11.843 -9.874 12.654 1.00 0.00 C ATOM 1947 CD LYS A 132 13.304 -10.267 12.820 1.00 0.00 C ATOM 1948 CE LYS A 132 13.486 -11.775 12.727 1.00 0.00 C ATOM 1949 NZ LYS A 132 14.910 -12.174 12.892 1.00 0.00 N ATOM 0 H LYS A 132 10.322 -7.853 10.493 1.00 0.00 H new ATOM 0 HA LYS A 132 9.589 -8.426 13.299 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.272 -7.893 11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 132 12.043 -8.021 13.704 1.00 0.00 H new ATOM 0 HG2 LYS A 132 11.244 -10.359 13.424 1.00 0.00 H new ATOM 0 HG3 LYS A 132 11.475 -10.231 11.692 1.00 0.00 H new ATOM 0 HD2 LYS A 132 13.904 -9.778 12.052 1.00 0.00 H new ATOM 0 HD3 LYS A 132 13.671 -9.913 13.784 1.00 0.00 H new ATOM 0 HE2 LYS A 132 12.882 -12.261 13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 132 13.120 -12.126 11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 14.991 -13.208 12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 15.483 -11.731 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 15.252 -11.862 13.823 1.00 0.00 H new ATOM 1963 N ASN A 133 9.934 -6.075 14.165 1.00 0.00 N ATOM 1964 CA ASN A 133 9.859 -4.685 14.596 1.00 0.00 C ATOM 1965 C ASN A 133 11.203 -3.986 14.443 1.00 0.00 C ATOM 1966 O ASN A 133 12.211 -4.431 14.993 1.00 0.00 O ATOM 1967 CB ASN A 133 9.370 -4.595 16.030 1.00 0.00 C ATOM 1968 CG ASN A 133 9.120 -3.180 16.469 1.00 0.00 C ATOM 1969 OD1 ASN A 133 9.748 -2.241 15.967 1.00 0.00 O ATOM 1970 ND2 ASN A 133 8.212 -3.007 17.396 1.00 0.00 N ATOM 0 H ASN A 133 9.835 -6.755 14.919 1.00 0.00 H new ATOM 0 HA ASN A 133 9.142 -4.175 13.953 1.00 0.00 H new ATOM 0 HB2 ASN A 133 8.450 -5.171 16.133 1.00 0.00 H new ATOM 0 HB3 ASN A 133 10.107 -5.051 16.690 1.00 0.00 H new ATOM 0 HD21 ASN A 133 7.999 -2.068 17.732 1.00 0.00 H new ATOM 0 HD22 ASN A 133 7.718 -3.811 17.782 1.00 0.00 H new ATOM 1977 N GLY A 134 11.213 -2.889 13.694 1.00 0.00 N ATOM 1978 CA GLY A 134 12.444 -2.154 13.426 1.00 0.00 C ATOM 1979 C GLY A 134 12.879 -2.315 11.976 1.00 0.00 C ATOM 1980 O GLY A 134 13.845 -1.695 11.535 1.00 0.00 O ATOM 0 H GLY A 134 10.381 -2.488 13.261 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.295 -1.097 13.648 1.00 0.00 H new ATOM 0 HA3 GLY A 134 13.234 -2.510 14.087 1.00 0.00 H new ATOM 1984 N ASP A 135 12.160 -3.155 11.238 1.00 0.00 N ATOM 1985 CA ASP A 135 12.428 -3.348 9.817 1.00 0.00 C ATOM 1986 C ASP A 135 12.198 -2.063 9.033 1.00 0.00 C ATOM 1987 O ASP A 135 11.248 -1.326 9.296 1.00 0.00 O ATOM 1988 CB ASP A 135 11.544 -4.463 9.252 1.00 0.00 C ATOM 1989 CG ASP A 135 12.041 -5.856 9.619 1.00 0.00 C ATOM 1990 OD1 ASP A 135 13.108 -5.957 10.175 1.00 0.00 O ATOM 1991 OD2 ASP A 135 11.347 -6.804 9.339 1.00 0.00 O ATOM 0 H ASP A 135 11.387 -3.713 11.601 1.00 0.00 H new ATOM 0 HA ASP A 135 13.475 -3.633 9.714 1.00 0.00 H new ATOM 0 HB2 ASP A 135 10.527 -4.336 9.622 1.00 0.00 H new ATOM 0 HB3 ASP A 135 11.502 -4.372 8.167 1.00 0.00 H new ATOM 1996 N VAL A 136 13.073 -1.800 8.069 1.00 0.00 N ATOM 1997 CA VAL A 136 13.044 -0.544 7.329 1.00 0.00 C ATOM 1998 C VAL A 136 12.746 -0.781 5.854 1.00 0.00 C ATOM 1999 O VAL A 136 13.263 -1.720 5.249 1.00 0.00 O ATOM 2000 CB VAL A 136 14.391 0.189 7.466 1.00 0.00 C ATOM 2001 CG1 VAL A 136 14.398 1.454 6.621 1.00 0.00 C ATOM 2002 CG2 VAL A 136 14.657 0.516 8.928 1.00 0.00 C ATOM 0 H VAL A 136 13.812 -2.441 7.781 1.00 0.00 H new ATOM 0 HA VAL A 136 12.249 0.071 7.752 1.00 0.00 H new ATOM 0 HB VAL A 136 15.186 -0.463 7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 136 15.358 1.959 6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 136 14.242 1.193 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 136 13.599 2.117 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 136 15.612 1.034 9.017 1.00 0.00 H new ATOM 0 HG22 VAL A 136 13.860 1.155 9.309 1.00 0.00 H new ATOM 0 HG23 VAL A 136 14.690 -0.407 9.507 1.00 0.00 H new ATOM 2012 N MET A 137 11.909 0.077 5.279 1.00 0.00 N ATOM 2013 CA MET A 137 11.592 0.002 3.859 1.00 0.00 C ATOM 2014 C MET A 137 12.692 0.632 3.014 1.00 0.00 C ATOM 2015 O MET A 137 12.759 1.853 2.876 1.00 0.00 O ATOM 2016 CB MET A 137 10.252 0.680 3.581 1.00 0.00 C ATOM 2017 CG MET A 137 9.062 0.035 4.278 1.00 0.00 C ATOM 2018 SD MET A 137 7.482 0.693 3.710 1.00 0.00 S ATOM 2019 CE MET A 137 7.527 2.338 4.416 1.00 0.00 C ATOM 0 H MET A 137 11.438 0.833 5.776 1.00 0.00 H new ATOM 0 HA MET A 137 11.520 -1.050 3.584 1.00 0.00 H new ATOM 0 HB2 MET A 137 10.316 1.723 3.890 1.00 0.00 H new ATOM 0 HB3 MET A 137 10.073 0.676 2.506 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.085 -1.041 4.107 1.00 0.00 H new ATOM 0 HG3 MET A 137 9.149 0.188 5.354 1.00 0.00 H new ATOM 0 HE1 MET A 137 6.592 2.854 4.197 1.00 0.00 H new ATOM 0 HE2 MET A 137 7.658 2.267 5.496 1.00 0.00 H new ATOM 0 HE3 MET A 137 8.358 2.896 3.985 1.00 0.00 H new ATOM 2029 N LYS A 138 13.553 -0.209 2.450 1.00 0.00 N ATOM 2030 CA LYS A 138 14.705 0.267 1.694 1.00 0.00 C ATOM 2031 C LYS A 138 14.279 1.207 0.574 1.00 0.00 C ATOM 2032 O LYS A 138 14.902 2.244 0.349 1.00 0.00 O ATOM 2033 CB LYS A 138 15.494 -0.911 1.122 1.00 0.00 C ATOM 2034 CG LYS A 138 16.736 -0.513 0.334 1.00 0.00 C ATOM 2035 CD LYS A 138 17.546 -1.734 -0.072 1.00 0.00 C ATOM 2036 CE LYS A 138 18.767 -1.342 -0.892 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.562 -2.528 -1.310 1.00 0.00 N ATOM 0 H LYS A 138 13.474 -1.225 2.503 1.00 0.00 H new ATOM 0 HA LYS A 138 15.346 0.823 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 138 15.792 -1.565 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 138 14.838 -1.492 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.442 0.044 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.354 0.152 0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 138 17.863 -2.275 0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 138 16.919 -2.412 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.448 -0.790 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.397 -0.671 -0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.384 -2.217 -1.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 19.889 -3.042 -0.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 18.970 -3.156 -1.890 1.00 0.00 H new ATOM 2051 N GLU A 139 13.213 0.837 -0.128 1.00 0.00 N ATOM 2052 CA GLU A 139 12.718 1.632 -1.246 1.00 0.00 C ATOM 2053 C GLU A 139 11.266 1.295 -1.561 1.00 0.00 C ATOM 2054 O GLU A 139 10.939 0.154 -1.882 1.00 0.00 O ATOM 2055 CB GLU A 139 13.585 1.404 -2.486 1.00 0.00 C ATOM 2056 CG GLU A 139 13.253 2.314 -3.660 1.00 0.00 C ATOM 2057 CD GLU A 139 14.099 2.038 -4.872 1.00 0.00 C ATOM 2058 OE1 GLU A 139 15.293 1.928 -4.727 1.00 0.00 O ATOM 2059 OE2 GLU A 139 13.551 1.939 -5.945 1.00 0.00 O ATOM 0 H GLU A 139 12.675 -0.009 0.058 1.00 0.00 H new ATOM 0 HA GLU A 139 12.772 2.682 -0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 139 14.631 1.548 -2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.478 0.367 -2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 139 12.202 2.192 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 139 13.388 3.352 -3.358 1.00 0.00 H new ATOM 2066 N VAL A 140 10.399 2.298 -1.467 1.00 0.00 N ATOM 2067 CA VAL A 140 8.995 2.132 -1.828 1.00 0.00 C ATOM 2068 C VAL A 140 8.656 2.915 -3.090 1.00 0.00 C ATOM 2069 O VAL A 140 8.801 4.137 -3.132 1.00 0.00 O ATOM 2070 CB VAL A 140 8.089 2.603 -0.676 1.00 0.00 C ATOM 2071 CG1 VAL A 140 6.623 2.447 -1.055 1.00 0.00 C ATOM 2072 CG2 VAL A 140 8.405 1.816 0.587 1.00 0.00 C ATOM 0 H VAL A 140 10.644 3.234 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 140 8.823 1.072 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 140 8.279 3.659 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.996 2.784 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.410 3.046 -1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.411 1.399 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.760 2.155 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 140 8.234 0.755 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 140 9.448 1.974 0.863 1.00 0.00 H new ATOM 2082 N LYS A 141 8.204 2.205 -4.118 1.00 0.00 N ATOM 2083 CA LYS A 141 7.863 2.829 -5.391 1.00 0.00 C ATOM 2084 C LYS A 141 6.448 2.466 -5.820 1.00 0.00 C ATOM 2085 O LYS A 141 5.948 1.388 -5.498 1.00 0.00 O ATOM 2086 CB LYS A 141 8.863 2.421 -6.473 1.00 0.00 C ATOM 2087 CG LYS A 141 10.259 3.001 -6.291 1.00 0.00 C ATOM 2088 CD LYS A 141 10.271 4.502 -6.539 1.00 0.00 C ATOM 2089 CE LYS A 141 11.628 5.107 -6.214 1.00 0.00 C ATOM 2090 NZ LYS A 141 12.723 4.467 -6.992 1.00 0.00 N ATOM 0 H LYS A 141 8.065 1.195 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 141 7.911 3.910 -5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 141 8.934 1.334 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.477 2.733 -7.443 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.612 2.794 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.951 2.511 -6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 141 10.022 4.702 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 141 9.503 4.979 -5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 141 11.609 6.176 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 141 11.828 4.997 -5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 13.572 5.067 -6.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 12.940 3.535 -6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 12.424 4.351 -7.981 1.00 0.00 H new ATOM 2104 N VAL A 142 5.805 3.372 -6.549 1.00 0.00 N ATOM 2105 CA VAL A 142 4.451 3.141 -7.039 1.00 0.00 C ATOM 2106 C VAL A 142 4.353 3.415 -8.535 1.00 0.00 C ATOM 2107 O VAL A 142 4.849 4.430 -9.023 1.00 0.00 O ATOM 2108 CB VAL A 142 3.451 4.038 -6.288 1.00 0.00 C ATOM 2109 CG1 VAL A 142 2.043 3.836 -6.830 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.503 3.736 -4.797 1.00 0.00 C ATOM 0 H VAL A 142 6.200 4.274 -6.814 1.00 0.00 H new ATOM 0 HA VAL A 142 4.207 2.094 -6.860 1.00 0.00 H new ATOM 0 HB VAL A 142 3.726 5.081 -6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.349 4.478 -6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.021 4.091 -7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.750 2.794 -6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.793 4.374 -4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.245 2.691 -4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.509 3.927 -4.422 1.00 0.00 H new ATOM 2120 N PHE A 143 3.707 2.506 -9.257 1.00 0.00 N ATOM 2121 CA PHE A 143 3.656 2.579 -10.712 1.00 0.00 C ATOM 2122 C PHE A 143 2.227 2.436 -11.221 1.00 0.00 C ATOM 2123 O PHE A 143 1.409 1.743 -10.616 1.00 0.00 O ATOM 2124 CB PHE A 143 4.535 1.492 -11.334 1.00 0.00 C ATOM 2125 CG PHE A 143 5.969 1.547 -10.892 1.00 0.00 C ATOM 2126 CD1 PHE A 143 6.877 2.378 -11.531 1.00 0.00 C ATOM 2127 CD2 PHE A 143 6.415 0.766 -9.836 1.00 0.00 C ATOM 2128 CE1 PHE A 143 8.196 2.429 -11.126 1.00 0.00 C ATOM 2129 CE2 PHE A 143 7.735 0.815 -9.428 1.00 0.00 C ATOM 2130 CZ PHE A 143 8.625 1.645 -10.073 1.00 0.00 C ATOM 0 H PHE A 143 3.211 1.709 -8.858 1.00 0.00 H new ATOM 0 HA PHE A 143 4.032 3.558 -11.007 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.123 0.515 -11.080 1.00 0.00 H new ATOM 0 HB3 PHE A 143 4.495 1.582 -12.420 1.00 0.00 H new ATOM 0 HD1 PHE A 143 6.548 2.993 -12.356 1.00 0.00 H new ATOM 0 HD2 PHE A 143 5.723 0.112 -9.327 1.00 0.00 H new ATOM 0 HE1 PHE A 143 8.892 3.082 -11.632 1.00 0.00 H new ATOM 0 HE2 PHE A 143 8.068 0.202 -8.603 1.00 0.00 H new ATOM 0 HZ PHE A 143 9.657 1.683 -9.756 1.00 0.00 H new ATOM 2140 N ASP A 144 1.932 3.097 -12.335 1.00 0.00 N ATOM 2141 CA ASP A 144 0.609 3.021 -12.943 1.00 0.00 C ATOM 2142 C ASP A 144 0.410 1.695 -13.666 1.00 0.00 C ATOM 2143 O ASP A 144 0.589 1.607 -14.881 1.00 0.00 O ATOM 2144 CB ASP A 144 0.401 4.179 -13.922 1.00 0.00 C ATOM 2145 CG ASP A 144 -1.014 4.236 -14.480 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -1.820 3.425 -14.089 1.00 0.00 O ATOM 2147 OD2 ASP A 144 -1.278 5.092 -15.291 1.00 0.00 O ATOM 0 H ASP A 144 2.592 3.692 -12.836 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.127 3.092 -12.142 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.626 5.119 -13.418 1.00 0.00 H new ATOM 0 HB3 ASP A 144 1.108 4.083 -14.746 1.00 0.00 H new ATOM 2152 N GLU A 145 0.040 0.665 -12.912 1.00 0.00 N ATOM 2153 CA GLU A 145 -0.220 -0.650 -13.485 1.00 0.00 C ATOM 2154 C GLU A 145 -1.673 -1.061 -13.284 1.00 0.00 C ATOM 2155 O GLU A 145 -2.031 -1.618 -12.246 1.00 0.00 O ATOM 2156 CB GLU A 145 0.708 -1.696 -12.863 1.00 0.00 C ATOM 2157 CG GLU A 145 2.167 -1.565 -13.274 1.00 0.00 C ATOM 2158 CD GLU A 145 3.080 -2.457 -12.480 1.00 0.00 C ATOM 2159 OE1 GLU A 145 2.814 -3.632 -12.403 1.00 0.00 O ATOM 2160 OE2 GLU A 145 4.047 -1.962 -11.949 1.00 0.00 O ATOM 0 H GLU A 145 -0.087 0.716 -11.901 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.026 -0.591 -14.556 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.641 -1.624 -11.777 1.00 0.00 H new ATOM 0 HB3 GLU A 145 0.353 -2.689 -13.139 1.00 0.00 H new ATOM 0 HG2 GLU A 145 2.264 -1.804 -14.333 1.00 0.00 H new ATOM 0 HG3 GLU A 145 2.482 -0.529 -13.151 1.00 0.00 H new ATOM 2167 N PRO A 146 -2.505 -0.783 -14.281 1.00 0.00 N ATOM 2168 CA PRO A 146 -3.904 -1.190 -14.246 1.00 0.00 C ATOM 2169 C PRO A 146 -4.040 -2.677 -13.945 1.00 0.00 C ATOM 2170 O PRO A 146 -4.541 -2.979 -13.134 1.00 0.00 O ATOM 2171 CB PRO A 146 -4.397 -0.852 -15.657 1.00 0.00 C ATOM 2172 CG PRO A 146 -3.529 0.281 -16.086 1.00 0.00 C ATOM 2173 CD PRO A 146 -2.173 -0.052 -15.523 1.00 0.00 C ATOM 2174 OXT PRO A 146 -3.545 -3.485 -14.681 1.00 0.00 O ATOM 0 HA PRO A 146 -4.478 -0.692 -13.465 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -4.299 -1.705 -16.328 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -5.449 -0.568 -15.654 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -3.498 0.368 -17.172 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -3.897 1.232 -15.700 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -1.589 -0.665 -16.210 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -1.588 0.845 -15.320 1.00 0.00 H new TER 2182 PRO A 146