USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 750 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 77 LYS NZ :NH3+ -179:sc= 0.0358 (180deg=0) USER MOD Set 1.2: A 81 GLN : amide:sc= -0.105 X(o=-0.069,f=-0.056) USER MOD Set 2.1: A 75 TYR OH : rot 161:sc= 0.0696 USER MOD Set 2.2: A 87 ASN :FLIP amide:sc= 0.589 F(o=0.24,f=1.3) USER MOD Set 2.3: A 90 ASN :FLIP amide:sc= 0.645 F(o=0.24,f=1.3) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0251) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= 0.0219 F(o=-0.95,f=0.022) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.49) USER MOD Single : A 14 MET CE :methyl 164:sc= -2.99! (180deg=-4.26) USER MOD Single : A 15 LYS NZ :NH3+ -130:sc= -0.854 (180deg=-3.07!) USER MOD Single : A 17 TYR OH : rot -130:sc= -1.5 USER MOD Single : A 19 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.9) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 170:sc= -0.357 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 33 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.4!) USER MOD Single : A 41 ASN : amide:sc= -0.896 K(o=-0.9,f=-2.2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= -0.0247 (180deg=-0.191) USER MOD Single : A 53 SER OG : rot 41:sc= 0.59 USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.404) USER MOD Single : A 56 ASN : amide:sc= -0.68 K(o=-0.68,f=-3!) USER MOD Single : A 61 SER OG : rot 180:sc= -2.36! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0141 X(o=-0.014,f=-0.014) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 66 THR OG1 : rot 38:sc= 0.7 USER MOD Single : A 67 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 72 THR OG1 : rot -82:sc= -0.618 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.043 USER MOD Single : A 79 CYS SG : rot 38:sc= 0.00384 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 130:sc= -0.248 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.293 -22.825 16.543 1.00 0.00 N ATOM 2 CA GLU A 1 -14.073 -22.683 17.387 1.00 0.00 C ATOM 3 C GLU A 1 -12.840 -22.372 16.537 1.00 0.00 C ATOM 4 O GLU A 1 -12.214 -21.324 16.700 1.00 0.00 O ATOM 5 CB GLU A 1 -13.863 -23.981 18.174 1.00 0.00 C ATOM 6 CG GLU A 1 -13.344 -23.760 19.586 1.00 0.00 C ATOM 7 CD GLU A 1 -14.434 -23.872 20.636 1.00 0.00 C ATOM 8 OE1 GLU A 1 -15.395 -23.077 20.582 1.00 0.00 O ATOM 9 OE2 GLU A 1 -14.322 -24.753 21.513 1.00 0.00 O ATOM 0 H1 GLU A 1 -16.112 -23.036 17.149 1.00 0.00 H new ATOM 0 H2 GLU A 1 -15.463 -21.938 16.027 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.157 -23.600 15.863 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.214 -21.849 18.074 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.808 -24.523 18.224 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -13.160 -24.615 17.633 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -12.563 -24.490 19.800 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -12.884 -22.774 19.649 1.00 0.00 H new ATOM 16 N LYS A 2 -12.494 -23.293 15.631 1.00 0.00 N ATOM 17 CA LYS A 2 -11.334 -23.117 14.760 1.00 0.00 C ATOM 18 C LYS A 2 -11.757 -23.005 13.295 1.00 0.00 C ATOM 19 O LYS A 2 -12.270 -23.962 12.713 1.00 0.00 O ATOM 20 CB LYS A 2 -10.350 -24.281 14.936 1.00 0.00 C ATOM 21 CG LYS A 2 -11.012 -25.650 14.980 1.00 0.00 C ATOM 22 CD LYS A 2 -10.035 -26.753 14.602 1.00 0.00 C ATOM 23 CE LYS A 2 -10.314 -28.039 15.368 1.00 0.00 C ATOM 24 NZ LYS A 2 -11.676 -28.576 15.086 1.00 0.00 N ATOM 0 H LYS A 2 -13.002 -24.165 15.484 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.839 -22.188 15.045 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.631 -24.263 14.117 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.787 -24.131 15.857 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.402 -25.835 15.981 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.863 -25.666 14.299 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.100 -26.946 13.531 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.016 -26.422 14.805 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.568 -28.788 15.103 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.212 -27.853 16.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.804 -29.478 15.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.392 -27.894 15.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.783 -28.731 14.063 1.00 0.00 H new ATOM 38 N LYS A 3 -11.533 -21.830 12.706 1.00 0.00 N ATOM 39 CA LYS A 3 -11.886 -21.591 11.309 1.00 0.00 C ATOM 40 C LYS A 3 -10.688 -21.865 10.399 1.00 0.00 C ATOM 41 O LYS A 3 -9.958 -20.946 10.020 1.00 0.00 O ATOM 42 CB LYS A 3 -12.379 -20.151 11.119 1.00 0.00 C ATOM 43 CG LYS A 3 -13.704 -19.861 11.811 1.00 0.00 C ATOM 44 CD LYS A 3 -13.768 -18.427 12.320 1.00 0.00 C ATOM 45 CE LYS A 3 -14.595 -17.540 11.398 1.00 0.00 C ATOM 46 NZ LYS A 3 -15.381 -16.524 12.157 1.00 0.00 N ATOM 0 H LYS A 3 -11.109 -21.030 13.176 1.00 0.00 H new ATOM 0 HA LYS A 3 -12.691 -22.273 11.037 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.623 -19.464 11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.485 -19.950 10.053 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.525 -20.038 11.116 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.838 -20.550 12.645 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.200 -18.415 13.321 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.758 -18.025 12.403 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.935 -17.035 10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.274 -18.159 10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.929 -15.942 11.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.030 -17.005 12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.733 -15.916 12.697 1.00 0.00 H new ATOM 60 N GLU A 4 -10.491 -23.139 10.058 1.00 0.00 N ATOM 61 CA GLU A 4 -9.381 -23.548 9.198 1.00 0.00 C ATOM 62 C GLU A 4 -9.566 -23.021 7.776 1.00 0.00 C ATOM 63 O GLU A 4 -10.623 -23.205 7.169 1.00 0.00 O ATOM 64 CB GLU A 4 -9.258 -25.075 9.176 1.00 0.00 C ATOM 65 CG GLU A 4 -8.023 -25.600 9.893 1.00 0.00 C ATOM 66 CD GLU A 4 -8.270 -26.930 10.580 1.00 0.00 C ATOM 67 OE1 GLU A 4 -8.237 -27.970 9.888 1.00 0.00 O ATOM 68 OE2 GLU A 4 -8.499 -26.930 11.806 1.00 0.00 O ATOM 0 H GLU A 4 -11.088 -23.907 10.365 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.465 -23.122 9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.146 -25.509 9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.237 -25.414 8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.210 -25.711 9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.698 -24.868 10.632 1.00 0.00 H new ATOM 75 N GLN A 5 -8.531 -22.361 7.253 1.00 0.00 N ATOM 76 CA GLN A 5 -8.579 -21.806 5.904 1.00 0.00 C ATOM 77 C GLN A 5 -7.232 -21.959 5.200 1.00 0.00 C ATOM 78 O GLN A 5 -6.264 -21.275 5.536 1.00 0.00 O ATOM 79 CB GLN A 5 -8.979 -20.328 5.953 1.00 0.00 C ATOM 80 CG GLN A 5 -9.151 -19.694 4.578 1.00 0.00 C ATOM 81 CD GLN A 5 -8.256 -18.484 4.373 1.00 0.00 C ATOM 82 OE1 GLN A 5 -8.805 -17.430 3.779 1.00 0.00 O flip ATOM 83 NE2 GLN A 5 -7.082 -18.494 4.744 1.00 0.00 N flip ATOM 0 H GLN A 5 -7.652 -22.199 7.744 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.327 -22.360 5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.913 -20.232 6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.221 -19.774 6.507 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.932 -20.436 3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.192 -19.397 4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.697 -19.323 5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.494 -17.673 4.599 1.00 0.00 H new ATOM 92 N VAL A 6 -7.181 -22.857 4.218 1.00 0.00 N ATOM 93 CA VAL A 6 -5.956 -23.096 3.458 1.00 0.00 C ATOM 94 C VAL A 6 -5.914 -22.223 2.203 1.00 0.00 C ATOM 95 O VAL A 6 -4.853 -21.718 1.825 1.00 0.00 O ATOM 96 CB VAL A 6 -5.817 -24.580 3.052 1.00 0.00 C ATOM 97 CG1 VAL A 6 -4.464 -24.841 2.405 1.00 0.00 C ATOM 98 CG2 VAL A 6 -6.019 -25.490 4.258 1.00 0.00 C ATOM 0 H VAL A 6 -7.974 -23.431 3.930 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.122 -22.834 4.110 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.593 -24.804 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.390 -25.893 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.362 -24.223 1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.670 -24.595 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.917 -26.531 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.270 -25.261 5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.015 -25.330 4.672 1.00 0.00 H new ATOM 108 N SER A 7 -7.073 -22.044 1.563 1.00 0.00 N ATOM 109 CA SER A 7 -7.168 -21.230 0.355 1.00 0.00 C ATOM 110 C SER A 7 -7.651 -19.819 0.687 1.00 0.00 C ATOM 111 O SER A 7 -8.829 -19.609 0.991 1.00 0.00 O ATOM 112 CB SER A 7 -8.118 -21.884 -0.655 1.00 0.00 C ATOM 113 OG SER A 7 -7.675 -21.669 -1.984 1.00 0.00 O ATOM 0 H SER A 7 -7.957 -22.453 1.864 1.00 0.00 H new ATOM 0 HA SER A 7 -6.174 -21.161 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.182 -22.954 -0.458 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.121 -21.476 -0.532 1.00 0.00 H new ATOM 0 HG SER A 7 -8.296 -22.097 -2.609 1.00 0.00 H new ATOM 119 N GLY A 8 -6.732 -18.854 0.626 1.00 0.00 N ATOM 120 CA GLY A 8 -7.076 -17.473 0.920 1.00 0.00 C ATOM 121 C GLY A 8 -7.265 -16.647 -0.338 1.00 0.00 C ATOM 122 O GLY A 8 -6.327 -16.501 -1.126 1.00 0.00 O ATOM 0 H GLY A 8 -5.755 -19.006 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.992 -17.447 1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.291 -17.027 1.530 1.00 0.00 H new ATOM 126 N PRO A 9 -8.476 -16.093 -0.560 1.00 0.00 N ATOM 127 CA PRO A 9 -8.777 -15.277 -1.746 1.00 0.00 C ATOM 128 C PRO A 9 -7.801 -14.109 -1.929 1.00 0.00 C ATOM 129 O PRO A 9 -7.045 -13.768 -1.018 1.00 0.00 O ATOM 130 CB PRO A 9 -10.189 -14.748 -1.468 1.00 0.00 C ATOM 131 CG PRO A 9 -10.787 -15.737 -0.531 1.00 0.00 C ATOM 132 CD PRO A 9 -9.653 -16.229 0.324 1.00 0.00 C ATOM 0 HA PRO A 9 -8.693 -15.860 -2.663 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.159 -13.752 -1.026 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.771 -14.671 -2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.565 -15.277 0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.252 -16.559 -1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.546 -15.634 1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.804 -17.262 0.637 1.00 0.00 H new ATOM 140 N PRO A 10 -7.816 -13.471 -3.118 1.00 0.00 N ATOM 141 CA PRO A 10 -6.941 -12.330 -3.423 1.00 0.00 C ATOM 142 C PRO A 10 -7.379 -11.034 -2.729 1.00 0.00 C ATOM 143 O PRO A 10 -6.726 -9.998 -2.874 1.00 0.00 O ATOM 144 CB PRO A 10 -7.070 -12.191 -4.940 1.00 0.00 C ATOM 145 CG PRO A 10 -8.430 -12.713 -5.252 1.00 0.00 C ATOM 146 CD PRO A 10 -8.698 -13.808 -4.256 1.00 0.00 C ATOM 0 HA PRO A 10 -5.923 -12.498 -3.072 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.963 -11.153 -5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.298 -12.761 -5.457 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.177 -11.924 -5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.476 -13.095 -6.272 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.746 -13.830 -3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.463 -14.790 -4.667 1.00 0.00 H new ATOM 154 N LEU A 11 -8.483 -11.095 -1.979 1.00 0.00 N ATOM 155 CA LEU A 11 -8.999 -9.931 -1.271 1.00 0.00 C ATOM 156 C LEU A 11 -9.151 -10.233 0.215 1.00 0.00 C ATOM 157 O LEU A 11 -9.275 -11.396 0.608 1.00 0.00 O ATOM 158 CB LEU A 11 -10.349 -9.510 -1.860 1.00 0.00 C ATOM 159 CG LEU A 11 -11.400 -10.624 -1.951 1.00 0.00 C ATOM 160 CD1 LEU A 11 -12.528 -10.377 -0.963 1.00 0.00 C ATOM 161 CD2 LEU A 11 -11.942 -10.733 -3.370 1.00 0.00 C ATOM 0 H LEU A 11 -9.035 -11.943 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.289 -9.113 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.754 -8.699 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.182 -9.108 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.922 -11.569 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.263 -11.178 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.126 -10.353 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.005 -9.423 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.686 -11.528 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.403 -9.788 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.125 -10.961 -4.055 1.00 0.00 H new ATOM 173 N SER A 12 -9.145 -9.180 1.035 1.00 0.00 N ATOM 174 CA SER A 12 -9.289 -9.320 2.485 1.00 0.00 C ATOM 175 C SER A 12 -8.160 -10.164 3.085 1.00 0.00 C ATOM 176 O SER A 12 -8.204 -11.396 3.052 1.00 0.00 O ATOM 177 CB SER A 12 -10.651 -9.932 2.826 1.00 0.00 C ATOM 178 OG SER A 12 -10.688 -10.409 4.162 1.00 0.00 O ATOM 0 H SER A 12 -9.041 -8.216 0.717 1.00 0.00 H new ATOM 0 HA SER A 12 -9.226 -8.324 2.923 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.432 -9.185 2.684 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.865 -10.752 2.140 1.00 0.00 H new ATOM 0 HG SER A 12 -11.571 -10.792 4.348 1.00 0.00 H new ATOM 184 N ASN A 13 -7.154 -9.489 3.645 1.00 0.00 N ATOM 185 CA ASN A 13 -6.018 -10.171 4.263 1.00 0.00 C ATOM 186 C ASN A 13 -5.349 -9.276 5.313 1.00 0.00 C ATOM 187 O ASN A 13 -5.554 -9.457 6.513 1.00 0.00 O ATOM 188 CB ASN A 13 -4.998 -10.596 3.198 1.00 0.00 C ATOM 189 CG ASN A 13 -5.299 -11.964 2.611 1.00 0.00 C ATOM 190 OD1 ASN A 13 -5.099 -12.987 3.265 1.00 0.00 O ATOM 191 ND2 ASN A 13 -5.789 -11.990 1.376 1.00 0.00 N ATOM 0 H ASN A 13 -7.104 -8.471 3.683 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.392 -11.065 4.762 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.985 -9.856 2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.001 -10.606 3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.014 -12.882 0.935 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.940 -11.118 0.869 1.00 0.00 H new ATOM 198 N MET A 14 -4.551 -8.309 4.849 1.00 0.00 N ATOM 199 CA MET A 14 -3.855 -7.383 5.741 1.00 0.00 C ATOM 200 C MET A 14 -3.257 -6.227 4.944 1.00 0.00 C ATOM 201 O MET A 14 -2.557 -6.444 3.954 1.00 0.00 O ATOM 202 CB MET A 14 -2.754 -8.105 6.536 1.00 0.00 C ATOM 203 CG MET A 14 -2.031 -9.195 5.756 1.00 0.00 C ATOM 204 SD MET A 14 -1.958 -10.756 6.656 1.00 0.00 S ATOM 205 CE MET A 14 -3.041 -11.780 5.664 1.00 0.00 C ATOM 0 H MET A 14 -4.372 -8.149 3.858 1.00 0.00 H new ATOM 0 HA MET A 14 -4.582 -6.986 6.449 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.023 -7.370 6.872 1.00 0.00 H new ATOM 0 HB3 MET A 14 -3.197 -8.546 7.429 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.537 -9.352 4.803 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.018 -8.863 5.528 1.00 0.00 H new ATOM 0 HE1 MET A 14 -2.881 -12.829 5.915 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.079 -11.513 5.864 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.823 -11.623 4.608 1.00 0.00 H new ATOM 215 N LYS A 15 -3.547 -5.000 5.372 1.00 0.00 N ATOM 216 CA LYS A 15 -3.049 -3.812 4.693 1.00 0.00 C ATOM 217 C LYS A 15 -2.776 -2.687 5.683 1.00 0.00 C ATOM 218 O LYS A 15 -3.366 -2.639 6.764 1.00 0.00 O ATOM 219 CB LYS A 15 -4.054 -3.351 3.642 1.00 0.00 C ATOM 220 CG LYS A 15 -3.414 -2.984 2.316 1.00 0.00 C ATOM 221 CD LYS A 15 -4.392 -3.142 1.165 1.00 0.00 C ATOM 222 CE LYS A 15 -4.844 -4.589 1.012 1.00 0.00 C ATOM 223 NZ LYS A 15 -6.198 -4.826 1.592 1.00 0.00 N ATOM 0 H LYS A 15 -4.126 -4.805 6.189 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.109 -4.069 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.785 -4.143 3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.599 -2.488 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.059 -1.954 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.542 -3.616 2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.260 -2.504 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.924 -2.806 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.853 -4.854 -0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.123 -5.246 1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.167 -5.655 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.494 -3.991 2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.879 -4.998 0.825 1.00 0.00 H new ATOM 237 N PHE A 16 -1.879 -1.786 5.308 1.00 0.00 N ATOM 238 CA PHE A 16 -1.524 -0.659 6.155 1.00 0.00 C ATOM 239 C PHE A 16 -0.919 0.466 5.326 1.00 0.00 C ATOM 240 O PHE A 16 0.002 0.240 4.549 1.00 0.00 O ATOM 241 CB PHE A 16 -0.553 -1.116 7.246 1.00 0.00 C ATOM 242 CG PHE A 16 -0.120 -0.023 8.185 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.050 0.835 8.755 1.00 0.00 C ATOM 244 CD2 PHE A 16 1.216 0.138 8.509 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.654 1.830 9.627 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.618 1.133 9.380 1.00 0.00 C ATOM 247 CZ PHE A 16 0.683 1.980 9.939 1.00 0.00 C ATOM 0 H PHE A 16 -1.382 -1.815 4.418 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.427 -0.275 6.630 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.023 -1.911 7.825 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.331 -1.545 6.774 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.097 0.723 8.514 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.953 -0.522 8.076 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.389 2.490 10.064 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.664 1.248 9.623 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.996 2.758 10.619 1.00 0.00 H new ATOM 257 N TYR A 17 -1.450 1.673 5.482 1.00 0.00 N ATOM 258 CA TYR A 17 -0.955 2.821 4.732 1.00 0.00 C ATOM 259 C TYR A 17 -0.385 3.885 5.671 1.00 0.00 C ATOM 260 O TYR A 17 -1.116 4.491 6.455 1.00 0.00 O ATOM 261 CB TYR A 17 -2.080 3.420 3.872 1.00 0.00 C ATOM 262 CG TYR A 17 -2.166 2.853 2.466 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.736 1.560 2.181 1.00 0.00 C ATOM 264 CD2 TYR A 17 -2.683 3.611 1.423 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.818 1.044 0.904 1.00 0.00 C ATOM 266 CE2 TYR A 17 -2.769 3.101 0.142 1.00 0.00 C ATOM 267 CZ TYR A 17 -2.336 1.819 -0.111 1.00 0.00 C ATOM 268 OH TYR A 17 -2.422 1.309 -1.385 1.00 0.00 O ATOM 0 H TYR A 17 -2.220 1.882 6.118 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.153 2.479 4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.032 3.255 4.376 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.936 4.499 3.807 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.331 0.949 2.974 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.024 4.617 1.617 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.478 0.039 0.701 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.174 3.705 -0.657 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.032 1.946 -2.019 1.00 0.00 H new ATOM 278 N LEU A 18 0.924 4.110 5.588 1.00 0.00 N ATOM 279 CA LEU A 18 1.578 5.109 6.425 1.00 0.00 C ATOM 280 C LEU A 18 2.890 5.552 5.796 1.00 0.00 C ATOM 281 O LEU A 18 3.911 4.865 5.907 1.00 0.00 O ATOM 282 CB LEU A 18 1.817 4.575 7.837 1.00 0.00 C ATOM 283 CG LEU A 18 1.432 5.541 8.959 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.080 5.715 9.031 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.986 5.051 10.290 1.00 0.00 C ATOM 0 H LEU A 18 1.550 3.616 4.952 1.00 0.00 H new ATOM 0 HA LEU A 18 0.916 5.972 6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.252 3.651 7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.872 4.321 7.941 1.00 0.00 H new ATOM 0 HG LEU A 18 1.870 6.515 8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.329 6.406 9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.446 6.114 8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.549 4.750 9.224 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.705 5.748 11.080 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.578 4.065 10.513 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.073 4.989 10.231 1.00 0.00 H new ATOM 297 N ASN A 19 2.840 6.708 5.125 1.00 0.00 N ATOM 298 CA ASN A 19 4.006 7.272 4.449 1.00 0.00 C ATOM 299 C ASN A 19 5.192 7.411 5.403 1.00 0.00 C ATOM 300 O ASN A 19 5.100 8.085 6.431 1.00 0.00 O ATOM 301 CB ASN A 19 3.652 8.633 3.839 1.00 0.00 C ATOM 302 CG ASN A 19 2.948 8.498 2.501 1.00 0.00 C ATOM 303 OD1 ASN A 19 3.577 8.577 1.449 1.00 0.00 O ATOM 304 ND2 ASN A 19 1.634 8.287 2.531 1.00 0.00 N ATOM 0 H ASN A 19 1.995 7.273 5.037 1.00 0.00 H new ATOM 0 HA ASN A 19 4.298 6.587 3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.013 9.183 4.530 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.562 9.219 3.711 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.114 8.185 1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.147 8.228 3.425 1.00 0.00 H new ATOM 311 N ARG A 20 6.308 6.767 5.045 1.00 0.00 N ATOM 312 CA ARG A 20 7.524 6.809 5.856 1.00 0.00 C ATOM 313 C ARG A 20 8.131 8.214 5.885 1.00 0.00 C ATOM 314 O ARG A 20 8.805 8.582 6.848 1.00 0.00 O ATOM 315 CB ARG A 20 8.555 5.804 5.323 1.00 0.00 C ATOM 316 CG ARG A 20 9.749 5.603 6.245 1.00 0.00 C ATOM 317 CD ARG A 20 10.996 5.204 5.470 1.00 0.00 C ATOM 318 NE ARG A 20 11.143 3.752 5.365 1.00 0.00 N ATOM 319 CZ ARG A 20 11.410 2.947 6.400 1.00 0.00 C ATOM 320 NH1 ARG A 20 11.561 3.447 7.624 1.00 0.00 N ATOM 321 NH2 ARG A 20 11.526 1.637 6.207 1.00 0.00 N ATOM 0 H ARG A 20 6.392 6.209 4.195 1.00 0.00 H new ATOM 0 HA ARG A 20 7.251 6.538 6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.064 4.844 5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.912 6.144 4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.942 6.523 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.516 4.833 6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.954 5.636 4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.875 5.622 5.961 1.00 0.00 H new ATOM 0 HE ARG A 20 11.035 3.326 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.473 4.451 7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.764 2.826 8.407 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.412 1.247 5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.730 1.022 6.995 1.00 0.00 H new ATOM 335 N ASP A 21 7.896 8.988 4.815 1.00 0.00 N ATOM 336 CA ASP A 21 8.419 10.353 4.694 1.00 0.00 C ATOM 337 C ASP A 21 9.875 10.369 4.215 1.00 0.00 C ATOM 338 O ASP A 21 10.417 11.430 3.899 1.00 0.00 O ATOM 339 CB ASP A 21 8.285 11.113 6.020 1.00 0.00 C ATOM 340 CG ASP A 21 8.365 12.621 5.846 1.00 0.00 C ATOM 341 OD1 ASP A 21 7.993 13.124 4.762 1.00 0.00 O ATOM 342 OD2 ASP A 21 8.799 13.299 6.798 1.00 0.00 O ATOM 0 H ASP A 21 7.341 8.686 4.014 1.00 0.00 H new ATOM 0 HA ASP A 21 7.817 10.859 3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.334 10.856 6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.072 10.788 6.701 1.00 0.00 H new ATOM 347 N ALA A 22 10.501 9.191 4.148 1.00 0.00 N ATOM 348 CA ALA A 22 11.880 9.081 3.689 1.00 0.00 C ATOM 349 C ALA A 22 11.936 8.718 2.206 1.00 0.00 C ATOM 350 O ALA A 22 12.885 9.076 1.507 1.00 0.00 O ATOM 351 CB ALA A 22 12.633 8.049 4.517 1.00 0.00 C ATOM 0 H ALA A 22 10.071 8.303 4.407 1.00 0.00 H new ATOM 0 HA ALA A 22 12.359 10.051 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.661 7.978 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.630 8.351 5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.147 7.078 4.418 1.00 0.00 H new ATOM 357 N ASP A 23 10.910 8.008 1.731 1.00 0.00 N ATOM 358 CA ASP A 23 10.835 7.599 0.333 1.00 0.00 C ATOM 359 C ASP A 23 9.435 7.849 -0.236 1.00 0.00 C ATOM 360 O ASP A 23 8.955 7.102 -1.092 1.00 0.00 O ATOM 361 CB ASP A 23 11.198 6.118 0.207 1.00 0.00 C ATOM 362 CG ASP A 23 11.484 5.713 -1.224 1.00 0.00 C ATOM 363 OD1 ASP A 23 12.444 6.254 -1.810 1.00 0.00 O ATOM 364 OD2 ASP A 23 10.749 4.857 -1.759 1.00 0.00 O ATOM 0 H ASP A 23 10.119 7.705 2.299 1.00 0.00 H new ATOM 0 HA ASP A 23 11.545 8.195 -0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.072 5.907 0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.380 5.512 0.597 1.00 0.00 H new ATOM 369 N ALA A 24 8.783 8.909 0.240 1.00 0.00 N ATOM 370 CA ALA A 24 7.443 9.255 -0.225 1.00 0.00 C ATOM 371 C ALA A 24 7.508 10.211 -1.415 1.00 0.00 C ATOM 372 O ALA A 24 6.987 11.328 -1.365 1.00 0.00 O ATOM 373 CB ALA A 24 6.629 9.863 0.910 1.00 0.00 C ATOM 0 H ALA A 24 9.161 9.541 0.946 1.00 0.00 H new ATOM 0 HA ALA A 24 6.949 8.341 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.632 10.116 0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.547 9.144 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.124 10.765 1.270 1.00 0.00 H new ATOM 379 N HIS A 25 8.150 9.760 -2.492 1.00 0.00 N ATOM 380 CA HIS A 25 8.282 10.567 -3.703 1.00 0.00 C ATOM 381 C HIS A 25 7.603 9.887 -4.895 1.00 0.00 C ATOM 382 O HIS A 25 7.967 10.126 -6.050 1.00 0.00 O ATOM 383 CB HIS A 25 9.758 10.813 -4.012 1.00 0.00 C ATOM 384 CG HIS A 25 10.025 12.138 -4.661 1.00 0.00 C ATOM 385 ND1 HIS A 25 10.073 13.325 -3.958 1.00 0.00 N ATOM 386 CD2 HIS A 25 10.265 12.460 -5.955 1.00 0.00 C ATOM 387 CE1 HIS A 25 10.338 14.318 -4.792 1.00 0.00 C ATOM 388 NE2 HIS A 25 10.458 13.819 -6.007 1.00 0.00 N ATOM 0 H HIS A 25 8.587 8.840 -2.550 1.00 0.00 H new ATOM 0 HA HIS A 25 7.788 11.523 -3.529 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.329 10.750 -3.086 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.121 10.019 -4.665 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.298 11.776 -6.790 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.439 15.359 -4.523 1.00 0.00 H new ATOM 0 HE2 HIS A 25 10.661 14.356 -6.850 1.00 0.00 H new ATOM 397 N ASP A 26 6.615 9.042 -4.606 1.00 0.00 N ATOM 398 CA ASP A 26 5.878 8.326 -5.641 1.00 0.00 C ATOM 399 C ASP A 26 4.375 8.531 -5.469 1.00 0.00 C ATOM 400 O ASP A 26 3.674 8.884 -6.419 1.00 0.00 O ATOM 401 CB ASP A 26 6.216 6.829 -5.585 1.00 0.00 C ATOM 402 CG ASP A 26 5.884 6.086 -6.872 1.00 0.00 C ATOM 403 OD1 ASP A 26 4.960 6.514 -7.595 1.00 0.00 O ATOM 404 OD2 ASP A 26 6.552 5.071 -7.153 1.00 0.00 O ATOM 0 H ASP A 26 6.306 8.837 -3.656 1.00 0.00 H new ATOM 0 HA ASP A 26 6.171 8.722 -6.613 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.278 6.712 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.671 6.372 -4.759 1.00 0.00 H new ATOM 409 N SER A 27 3.889 8.309 -4.249 1.00 0.00 N ATOM 410 CA SER A 27 2.469 8.465 -3.948 1.00 0.00 C ATOM 411 C SER A 27 2.244 8.728 -2.461 1.00 0.00 C ATOM 412 O SER A 27 2.945 8.175 -1.613 1.00 0.00 O ATOM 413 CB SER A 27 1.698 7.217 -4.376 1.00 0.00 C ATOM 414 OG SER A 27 0.608 7.558 -5.213 1.00 0.00 O ATOM 0 H SER A 27 4.459 8.021 -3.454 1.00 0.00 H new ATOM 0 HA SER A 27 2.102 9.326 -4.507 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.366 6.535 -4.902 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.334 6.690 -3.494 1.00 0.00 H new ATOM 0 HG SER A 27 0.228 6.743 -5.604 1.00 0.00 H new ATOM 420 N LEU A 28 1.262 9.578 -2.154 1.00 0.00 N ATOM 421 CA LEU A 28 0.944 9.915 -0.767 1.00 0.00 C ATOM 422 C LEU A 28 -0.561 10.086 -0.573 1.00 0.00 C ATOM 423 O LEU A 28 -1.199 9.296 0.122 1.00 0.00 O ATOM 424 CB LEU A 28 1.666 11.197 -0.341 1.00 0.00 C ATOM 425 CG LEU A 28 3.195 11.150 -0.414 1.00 0.00 C ATOM 426 CD1 LEU A 28 3.681 11.668 -1.762 1.00 0.00 C ATOM 427 CD2 LEU A 28 3.802 11.963 0.722 1.00 0.00 C ATOM 0 H LEU A 28 0.675 10.044 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 28 1.285 9.089 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.315 12.016 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.376 11.433 0.683 1.00 0.00 H new ATOM 0 HG LEU A 28 3.517 10.114 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.770 11.627 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.270 11.049 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.352 12.698 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.889 11.921 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.473 12.999 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.478 11.551 1.678 1.00 0.00 H new ATOM 439 N ASN A 29 -1.119 11.124 -1.191 1.00 0.00 N ATOM 440 CA ASN A 29 -2.549 11.401 -1.095 1.00 0.00 C ATOM 441 C ASN A 29 -3.318 10.690 -2.207 1.00 0.00 C ATOM 442 O ASN A 29 -4.440 10.234 -2.000 1.00 0.00 O ATOM 443 CB ASN A 29 -2.812 12.908 -1.167 1.00 0.00 C ATOM 444 CG ASN A 29 -2.607 13.596 0.170 1.00 0.00 C ATOM 445 OD1 ASN A 29 -1.477 13.879 0.568 1.00 0.00 O ATOM 446 ND2 ASN A 29 -3.702 13.870 0.873 1.00 0.00 N ATOM 0 H ASN A 29 -0.600 11.789 -1.765 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.897 11.025 -0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.149 13.355 -1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.833 13.080 -1.508 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.624 14.332 1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.620 13.618 0.506 1.00 0.00 H new ATOM 453 N ASP A 30 -2.706 10.612 -3.393 1.00 0.00 N ATOM 454 CA ASP A 30 -3.332 9.968 -4.547 1.00 0.00 C ATOM 455 C ASP A 30 -3.707 8.517 -4.255 1.00 0.00 C ATOM 456 O ASP A 30 -4.738 8.032 -4.727 1.00 0.00 O ATOM 457 CB ASP A 30 -2.403 10.025 -5.759 1.00 0.00 C ATOM 458 CG ASP A 30 -3.165 10.043 -7.069 1.00 0.00 C ATOM 459 OD1 ASP A 30 -3.680 11.118 -7.442 1.00 0.00 O ATOM 460 OD2 ASP A 30 -3.250 8.981 -7.720 1.00 0.00 O ATOM 0 H ASP A 30 -1.776 10.988 -3.577 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.249 10.516 -4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.778 10.915 -5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.735 9.164 -5.742 1.00 0.00 H new ATOM 465 N ILE A 31 -2.873 7.826 -3.473 1.00 0.00 N ATOM 466 CA ILE A 31 -3.142 6.428 -3.122 1.00 0.00 C ATOM 467 C ILE A 31 -4.492 6.285 -2.431 1.00 0.00 C ATOM 468 O ILE A 31 -5.153 5.260 -2.565 1.00 0.00 O ATOM 469 CB ILE A 31 -2.058 5.825 -2.213 1.00 0.00 C ATOM 470 CG1 ILE A 31 -1.769 6.750 -1.028 1.00 0.00 C ATOM 471 CG2 ILE A 31 -0.798 5.555 -3.016 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.646 6.268 -0.132 1.00 0.00 C ATOM 0 H ILE A 31 -2.015 8.206 -3.074 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.144 5.881 -4.065 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.421 4.878 -1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.519 7.741 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.676 6.855 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.036 5.128 -2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.022 4.854 -3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.430 6.489 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.502 6.976 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.901 5.290 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.274 6.190 -0.712 1.00 0.00 H new ATOM 484 N ASP A 32 -4.901 7.328 -1.710 1.00 0.00 N ATOM 485 CA ASP A 32 -6.183 7.335 -1.017 1.00 0.00 C ATOM 486 C ASP A 32 -7.309 6.961 -1.987 1.00 0.00 C ATOM 487 O ASP A 32 -8.256 6.260 -1.624 1.00 0.00 O ATOM 488 CB ASP A 32 -6.430 8.725 -0.413 1.00 0.00 C ATOM 489 CG ASP A 32 -7.774 8.861 0.281 1.00 0.00 C ATOM 490 OD1 ASP A 32 -8.405 7.831 0.588 1.00 0.00 O ATOM 491 OD2 ASP A 32 -8.197 10.008 0.516 1.00 0.00 O ATOM 0 H ASP A 32 -4.357 8.183 -1.592 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.165 6.598 -0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.638 8.946 0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.363 9.472 -1.204 1.00 0.00 H new ATOM 496 N GLN A 33 -7.184 7.430 -3.230 1.00 0.00 N ATOM 497 CA GLN A 33 -8.170 7.150 -4.267 1.00 0.00 C ATOM 498 C GLN A 33 -8.041 5.722 -4.799 1.00 0.00 C ATOM 499 O GLN A 33 -9.045 5.021 -4.942 1.00 0.00 O ATOM 500 CB GLN A 33 -8.025 8.159 -5.415 1.00 0.00 C ATOM 501 CG GLN A 33 -9.074 7.999 -6.509 1.00 0.00 C ATOM 502 CD GLN A 33 -8.561 7.242 -7.724 1.00 0.00 C ATOM 503 OE1 GLN A 33 -7.395 6.849 -7.783 1.00 0.00 O ATOM 504 NE2 GLN A 33 -9.435 7.031 -8.702 1.00 0.00 N ATOM 0 H GLN A 33 -6.404 8.009 -3.541 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.160 7.248 -3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.087 9.169 -5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.034 8.054 -5.856 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.938 7.475 -6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.417 8.985 -6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.392 7.373 -8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.149 6.527 -9.541 1.00 0.00 H new ATOM 513 N LEU A 34 -6.813 5.289 -5.088 1.00 0.00 N ATOM 514 CA LEU A 34 -6.585 3.937 -5.602 1.00 0.00 C ATOM 515 C LEU A 34 -6.766 2.882 -4.508 1.00 0.00 C ATOM 516 O LEU A 34 -7.013 1.708 -4.797 1.00 0.00 O ATOM 517 CB LEU A 34 -5.193 3.833 -6.229 1.00 0.00 C ATOM 518 CG LEU A 34 -4.020 3.774 -5.245 1.00 0.00 C ATOM 519 CD1 LEU A 34 -3.762 2.346 -4.796 1.00 0.00 C ATOM 520 CD2 LEU A 34 -2.773 4.364 -5.884 1.00 0.00 C ATOM 0 H LEU A 34 -5.968 5.849 -4.976 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.331 3.742 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.163 2.941 -6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.047 4.689 -6.888 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.278 4.363 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.925 2.330 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.652 1.953 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.524 1.729 -5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.945 4.317 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.519 3.795 -6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.960 5.403 -6.156 1.00 0.00 H new ATOM 532 N ALA A 35 -6.654 3.310 -3.253 1.00 0.00 N ATOM 533 CA ALA A 35 -6.819 2.415 -2.113 1.00 0.00 C ATOM 534 C ALA A 35 -8.270 2.392 -1.633 1.00 0.00 C ATOM 535 O ALA A 35 -8.672 1.484 -0.903 1.00 0.00 O ATOM 536 CB ALA A 35 -5.887 2.817 -0.982 1.00 0.00 C ATOM 0 H ALA A 35 -6.449 4.277 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.559 1.407 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.023 2.139 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.854 2.765 -1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.114 3.836 -0.668 1.00 0.00 H new ATOM 542 N ARG A 36 -9.057 3.387 -2.059 1.00 0.00 N ATOM 543 CA ARG A 36 -10.469 3.470 -1.687 1.00 0.00 C ATOM 544 C ARG A 36 -11.210 2.172 -2.031 1.00 0.00 C ATOM 545 O ARG A 36 -12.217 1.839 -1.401 1.00 0.00 O ATOM 546 CB ARG A 36 -11.131 4.654 -2.398 1.00 0.00 C ATOM 547 CG ARG A 36 -12.129 5.403 -1.528 1.00 0.00 C ATOM 548 CD ARG A 36 -11.671 6.826 -1.250 1.00 0.00 C ATOM 549 NE ARG A 36 -10.892 6.918 -0.016 1.00 0.00 N ATOM 550 CZ ARG A 36 -11.409 6.799 1.209 1.00 0.00 C ATOM 551 NH1 ARG A 36 -12.709 6.564 1.373 1.00 0.00 N ATOM 552 NH2 ARG A 36 -10.621 6.911 2.274 1.00 0.00 N ATOM 0 H ARG A 36 -8.737 4.145 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.526 3.619 -0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.358 5.347 -2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.640 4.293 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.100 5.423 -2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.261 4.872 -0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.070 7.184 -2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.540 7.480 -1.180 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.889 7.084 -0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.318 6.474 0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.097 6.474 2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.624 7.088 2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.014 6.820 3.211 1.00 0.00 H new ATOM 566 N LEU A 37 -10.702 1.440 -3.029 1.00 0.00 N ATOM 567 CA LEU A 37 -11.310 0.177 -3.449 1.00 0.00 C ATOM 568 C LEU A 37 -10.683 -1.001 -2.711 1.00 0.00 C ATOM 569 O LEU A 37 -11.375 -1.952 -2.349 1.00 0.00 O ATOM 570 CB LEU A 37 -11.175 -0.025 -4.964 1.00 0.00 C ATOM 571 CG LEU A 37 -9.880 0.502 -5.598 1.00 0.00 C ATOM 572 CD1 LEU A 37 -9.489 -0.346 -6.801 1.00 0.00 C ATOM 573 CD2 LEU A 37 -10.037 1.964 -6.005 1.00 0.00 C ATOM 0 H LEU A 37 -9.871 1.702 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.370 0.225 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.253 -1.091 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.020 0.461 -5.452 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.085 0.435 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.569 0.043 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.333 -1.377 -6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.285 -0.312 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.109 2.319 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.847 2.055 -6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.268 2.564 -5.125 1.00 0.00 H new ATOM 585 N ILE A 38 -9.372 -0.925 -2.483 1.00 0.00 N ATOM 586 CA ILE A 38 -8.651 -1.982 -1.775 1.00 0.00 C ATOM 587 C ILE A 38 -9.156 -2.109 -0.338 1.00 0.00 C ATOM 588 O ILE A 38 -9.182 -3.207 0.225 1.00 0.00 O ATOM 589 CB ILE A 38 -7.130 -1.722 -1.765 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.622 -1.449 -3.184 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.391 -2.903 -1.154 1.00 0.00 C ATOM 592 CD1 ILE A 38 -6.739 -2.637 -4.118 1.00 0.00 C ATOM 0 H ILE A 38 -8.788 -0.143 -2.778 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.838 -2.914 -2.308 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.937 -0.840 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.180 -0.613 -3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.578 -1.141 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.320 -2.702 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.731 -3.054 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.592 -3.800 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.359 -2.364 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.157 -3.470 -3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.785 -2.932 -4.202 1.00 0.00 H new ATOM 604 N ARG A 39 -9.581 -0.982 0.239 1.00 0.00 N ATOM 605 CA ARG A 39 -10.117 -0.959 1.595 1.00 0.00 C ATOM 606 C ARG A 39 -11.535 -1.531 1.613 1.00 0.00 C ATOM 607 O ARG A 39 -11.998 -2.032 2.638 1.00 0.00 O ATOM 608 CB ARG A 39 -10.129 0.473 2.135 1.00 0.00 C ATOM 609 CG ARG A 39 -10.297 0.558 3.644 1.00 0.00 C ATOM 610 CD ARG A 39 -11.187 1.726 4.044 1.00 0.00 C ATOM 611 NE ARG A 39 -12.223 1.330 5.001 1.00 0.00 N ATOM 612 CZ ARG A 39 -13.226 2.124 5.386 1.00 0.00 C ATOM 613 NH1 ARG A 39 -13.333 3.359 4.904 1.00 0.00 N ATOM 614 NH2 ARG A 39 -14.128 1.681 6.257 1.00 0.00 N ATOM 0 H ARG A 39 -9.562 -0.070 -0.218 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.479 -1.573 2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.198 0.965 1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.938 1.025 1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.727 -0.372 4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.320 0.667 4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.574 2.515 4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.658 2.144 3.154 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.176 0.391 5.397 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.646 3.707 4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.102 3.958 5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.054 0.735 6.631 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.894 2.287 6.551 1.00 0.00 H new ATOM 628 N ALA A 40 -12.213 -1.453 0.465 1.00 0.00 N ATOM 629 CA ALA A 40 -13.573 -1.961 0.333 1.00 0.00 C ATOM 630 C ALA A 40 -13.591 -3.391 -0.216 1.00 0.00 C ATOM 631 O ALA A 40 -14.629 -4.056 -0.193 1.00 0.00 O ATOM 632 CB ALA A 40 -14.393 -1.040 -0.558 1.00 0.00 C ATOM 0 H ALA A 40 -11.836 -1.040 -0.388 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.018 -1.985 1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.407 -1.430 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.426 -0.043 -0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.935 -0.986 -1.546 1.00 0.00 H new ATOM 638 N ASN A 41 -12.442 -3.859 -0.714 1.00 0.00 N ATOM 639 CA ASN A 41 -12.327 -5.206 -1.272 1.00 0.00 C ATOM 640 C ASN A 41 -12.565 -6.277 -0.205 1.00 0.00 C ATOM 641 O ASN A 41 -13.020 -7.378 -0.518 1.00 0.00 O ATOM 642 CB ASN A 41 -10.937 -5.405 -1.888 1.00 0.00 C ATOM 643 CG ASN A 41 -10.932 -6.409 -3.026 1.00 0.00 C ATOM 644 OD1 ASN A 41 -11.986 -6.835 -3.503 1.00 0.00 O ATOM 645 ND2 ASN A 41 -9.742 -6.798 -3.469 1.00 0.00 N ATOM 0 H ASN A 41 -11.576 -3.321 -0.741 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.092 -5.310 -2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.567 -4.447 -2.254 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.246 -5.738 -1.113 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.677 -7.473 -4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.893 -6.422 -3.047 1.00 0.00 H new ATOM 652 N GLY A 42 -12.252 -5.951 1.050 1.00 0.00 N ATOM 653 CA GLY A 42 -12.437 -6.899 2.134 1.00 0.00 C ATOM 654 C GLY A 42 -11.393 -6.755 3.229 1.00 0.00 C ATOM 655 O GLY A 42 -11.656 -7.087 4.387 1.00 0.00 O ATOM 0 H GLY A 42 -11.874 -5.047 1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.429 -6.762 2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.400 -7.912 1.734 1.00 0.00 H new ATOM 659 N GLY A 43 -10.206 -6.264 2.867 1.00 0.00 N ATOM 660 CA GLY A 43 -9.141 -6.089 3.839 1.00 0.00 C ATOM 661 C GLY A 43 -9.313 -4.830 4.670 1.00 0.00 C ATOM 662 O GLY A 43 -10.439 -4.431 4.976 1.00 0.00 O ATOM 0 H GLY A 43 -9.966 -5.985 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.111 -6.955 4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.183 -6.050 3.320 1.00 0.00 H new ATOM 666 N GLU A 44 -8.196 -4.202 5.041 1.00 0.00 N ATOM 667 CA GLU A 44 -8.235 -2.986 5.845 1.00 0.00 C ATOM 668 C GLU A 44 -6.986 -2.144 5.612 1.00 0.00 C ATOM 669 O GLU A 44 -5.870 -2.598 5.852 1.00 0.00 O ATOM 670 CB GLU A 44 -8.360 -3.334 7.331 1.00 0.00 C ATOM 671 CG GLU A 44 -8.577 -2.125 8.228 1.00 0.00 C ATOM 672 CD GLU A 44 -9.944 -2.121 8.882 1.00 0.00 C ATOM 673 OE1 GLU A 44 -10.193 -2.991 9.745 1.00 0.00 O ATOM 674 OE2 GLU A 44 -10.769 -1.248 8.533 1.00 0.00 O ATOM 0 H GLU A 44 -7.257 -4.517 4.797 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.107 -2.406 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.191 -4.027 7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.457 -3.854 7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.809 -2.108 9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.457 -1.215 7.640 1.00 0.00 H new ATOM 681 N VAL A 45 -7.190 -0.916 5.144 1.00 0.00 N ATOM 682 CA VAL A 45 -6.089 0.004 4.876 1.00 0.00 C ATOM 683 C VAL A 45 -6.445 1.426 5.318 1.00 0.00 C ATOM 684 O VAL A 45 -7.578 1.878 5.132 1.00 0.00 O ATOM 685 CB VAL A 45 -5.706 0.005 3.381 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.868 0.476 2.518 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.476 0.865 3.145 1.00 0.00 C ATOM 0 H VAL A 45 -8.114 -0.533 4.941 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.231 -0.343 5.452 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.470 -1.019 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.570 0.467 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.719 -0.190 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.148 1.489 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.222 0.853 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.682 1.889 3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.640 0.471 3.723 1.00 0.00 H new ATOM 697 N LEU A 46 -5.474 2.123 5.907 1.00 0.00 N ATOM 698 CA LEU A 46 -5.687 3.495 6.382 1.00 0.00 C ATOM 699 C LEU A 46 -4.755 4.471 5.668 1.00 0.00 C ATOM 700 O LEU A 46 -3.589 4.599 6.030 1.00 0.00 O ATOM 701 CB LEU A 46 -5.466 3.578 7.898 1.00 0.00 C ATOM 702 CG LEU A 46 -6.052 2.422 8.716 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.739 2.597 10.194 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.555 2.313 8.498 1.00 0.00 C ATOM 0 H LEU A 46 -4.533 1.764 6.068 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.717 3.772 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.394 3.628 8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.898 4.511 8.260 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.589 1.496 8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.164 1.766 10.757 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.659 2.618 10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.170 3.533 10.549 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.949 1.486 9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.036 3.241 8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.757 2.134 7.442 1.00 0.00 H new ATOM 716 N ASP A 47 -5.277 5.159 4.653 1.00 0.00 N ATOM 717 CA ASP A 47 -4.486 6.125 3.881 1.00 0.00 C ATOM 718 C ASP A 47 -4.218 7.398 4.692 1.00 0.00 C ATOM 719 O ASP A 47 -5.005 8.343 4.667 1.00 0.00 O ATOM 720 CB ASP A 47 -5.191 6.475 2.558 1.00 0.00 C ATOM 721 CG ASP A 47 -6.693 6.639 2.713 1.00 0.00 C ATOM 722 OD1 ASP A 47 -7.136 7.739 3.105 1.00 0.00 O ATOM 723 OD2 ASP A 47 -7.426 5.663 2.447 1.00 0.00 O ATOM 0 H ASP A 47 -6.245 5.067 4.344 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.527 5.659 3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.769 7.398 2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.990 5.692 1.827 1.00 0.00 H new ATOM 728 N SER A 48 -3.100 7.417 5.413 1.00 0.00 N ATOM 729 CA SER A 48 -2.743 8.576 6.223 1.00 0.00 C ATOM 730 C SER A 48 -1.260 8.907 6.097 1.00 0.00 C ATOM 731 O SER A 48 -0.404 8.029 6.218 1.00 0.00 O ATOM 732 CB SER A 48 -3.099 8.328 7.690 1.00 0.00 C ATOM 733 OG SER A 48 -3.791 9.436 8.241 1.00 0.00 O ATOM 0 H SER A 48 -2.431 6.648 5.453 1.00 0.00 H new ATOM 0 HA SER A 48 -3.313 9.428 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.716 7.433 7.772 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.190 8.142 8.262 1.00 0.00 H new ATOM 0 HG SER A 48 -4.009 9.252 9.179 1.00 0.00 H new ATOM 739 N LYS A 49 -0.968 10.183 5.857 1.00 0.00 N ATOM 740 CA LYS A 49 0.406 10.651 5.721 1.00 0.00 C ATOM 741 C LYS A 49 0.755 11.596 6.871 1.00 0.00 C ATOM 742 O LYS A 49 0.504 12.800 6.792 1.00 0.00 O ATOM 743 CB LYS A 49 0.598 11.369 4.376 1.00 0.00 C ATOM 744 CG LYS A 49 -0.097 10.689 3.203 1.00 0.00 C ATOM 745 CD LYS A 49 -1.187 11.568 2.607 1.00 0.00 C ATOM 746 CE LYS A 49 -2.539 11.305 3.251 1.00 0.00 C ATOM 747 NZ LYS A 49 -2.938 12.394 4.186 1.00 0.00 N ATOM 0 H LYS A 49 -1.671 10.915 5.752 1.00 0.00 H new ATOM 0 HA LYS A 49 1.071 9.788 5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.224 12.389 4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.665 11.438 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.638 10.449 2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.531 9.746 3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.920 12.617 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.254 11.387 1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.296 11.201 2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.504 10.359 3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.755 12.085 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.144 12.616 4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.194 13.242 3.642 1.00 0.00 H new ATOM 761 N PRO A 50 1.334 11.063 7.964 1.00 0.00 N ATOM 762 CA PRO A 50 1.708 11.864 9.135 1.00 0.00 C ATOM 763 C PRO A 50 2.942 12.732 8.887 1.00 0.00 C ATOM 764 O PRO A 50 3.071 13.813 9.465 1.00 0.00 O ATOM 765 CB PRO A 50 2.007 10.817 10.222 1.00 0.00 C ATOM 766 CG PRO A 50 1.579 9.502 9.654 1.00 0.00 C ATOM 767 CD PRO A 50 1.659 9.645 8.162 1.00 0.00 C ATOM 0 HA PRO A 50 0.916 12.563 9.404 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.068 10.807 10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.464 11.041 11.140 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.226 8.698 10.003 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.565 9.254 9.968 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.651 9.399 7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.951 8.991 7.653 1.00 0.00 H new ATOM 775 N ARG A 51 3.848 12.246 8.032 1.00 0.00 N ATOM 776 CA ARG A 51 5.084 12.961 7.708 1.00 0.00 C ATOM 777 C ARG A 51 5.975 13.115 8.941 1.00 0.00 C ATOM 778 O ARG A 51 6.774 14.051 9.029 1.00 0.00 O ATOM 779 CB ARG A 51 4.773 14.340 7.116 1.00 0.00 C ATOM 780 CG ARG A 51 5.462 14.594 5.786 1.00 0.00 C ATOM 781 CD ARG A 51 5.231 16.014 5.294 1.00 0.00 C ATOM 782 NE ARG A 51 4.170 16.084 4.288 1.00 0.00 N ATOM 783 CZ ARG A 51 4.329 15.744 3.006 1.00 0.00 C ATOM 784 NH1 ARG A 51 5.498 15.280 2.568 1.00 0.00 N ATOM 785 NH2 ARG A 51 3.311 15.863 2.158 1.00 0.00 N ATOM 0 H ARG A 51 3.746 11.353 7.549 1.00 0.00 H new ATOM 0 HA ARG A 51 5.621 12.369 6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.695 14.436 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.076 15.109 7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.532 14.415 5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.092 13.887 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.971 16.652 6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.156 16.406 4.872 1.00 0.00 H new ATOM 0 HE ARG A 51 3.251 16.413 4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.282 15.182 3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.610 15.023 1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.411 16.213 2.487 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.430 15.604 1.179 1.00 0.00 H new ATOM 799 N GLU A 52 5.842 12.188 9.890 1.00 0.00 N ATOM 800 CA GLU A 52 6.641 12.222 11.104 1.00 0.00 C ATOM 801 C GLU A 52 7.598 11.037 11.147 1.00 0.00 C ATOM 802 O GLU A 52 7.172 9.881 11.072 1.00 0.00 O ATOM 803 CB GLU A 52 5.729 12.209 12.335 1.00 0.00 C ATOM 804 CG GLU A 52 6.239 13.064 13.484 1.00 0.00 C ATOM 805 CD GLU A 52 6.764 12.234 14.638 1.00 0.00 C ATOM 806 OE1 GLU A 52 7.936 11.807 14.576 1.00 0.00 O ATOM 807 OE2 GLU A 52 6.001 12.003 15.599 1.00 0.00 O ATOM 0 H GLU A 52 5.188 11.407 9.837 1.00 0.00 H new ATOM 0 HA GLU A 52 7.228 13.141 11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.738 12.559 12.046 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.616 11.182 12.681 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.032 13.718 13.121 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.433 13.706 13.840 1.00 0.00 H new ATOM 814 N SER A 53 8.890 11.329 11.265 1.00 0.00 N ATOM 815 CA SER A 53 9.910 10.285 11.313 1.00 0.00 C ATOM 816 C SER A 53 10.093 9.765 12.740 1.00 0.00 C ATOM 817 O SER A 53 10.811 10.361 13.545 1.00 0.00 O ATOM 818 CB SER A 53 11.239 10.810 10.761 1.00 0.00 C ATOM 819 OG SER A 53 11.682 11.952 11.478 1.00 0.00 O ATOM 0 H SER A 53 9.256 12.279 11.329 1.00 0.00 H new ATOM 0 HA SER A 53 9.576 9.456 10.689 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.994 10.026 10.819 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.123 11.063 9.707 1.00 0.00 H new ATOM 0 HG SER A 53 11.524 11.818 12.436 1.00 0.00 H new ATOM 825 N LYS A 54 9.432 8.649 13.045 1.00 0.00 N ATOM 826 CA LYS A 54 9.511 8.042 14.373 1.00 0.00 C ATOM 827 C LYS A 54 9.597 6.515 14.286 1.00 0.00 C ATOM 828 O LYS A 54 9.232 5.813 15.232 1.00 0.00 O ATOM 829 CB LYS A 54 8.286 8.448 15.192 1.00 0.00 C ATOM 830 CG LYS A 54 6.978 7.867 14.670 1.00 0.00 C ATOM 831 CD LYS A 54 6.002 8.960 14.268 1.00 0.00 C ATOM 832 CE LYS A 54 5.045 8.485 13.184 1.00 0.00 C ATOM 833 NZ LYS A 54 3.845 7.800 13.749 1.00 0.00 N ATOM 0 H LYS A 54 8.835 8.146 12.389 1.00 0.00 H new ATOM 0 HA LYS A 54 10.418 8.401 14.860 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.428 8.128 16.224 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.211 9.535 15.202 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.181 7.226 13.812 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.526 7.239 15.438 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.434 9.280 15.141 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.555 9.829 13.911 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.726 9.338 12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.568 7.803 12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.414 7.196 13.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.129 7.214 14.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.154 8.512 14.061 1.00 0.00 H new ATOM 847 N GLU A 55 10.069 6.007 13.144 1.00 0.00 N ATOM 848 CA GLU A 55 10.187 4.566 12.920 1.00 0.00 C ATOM 849 C GLU A 55 8.835 3.857 13.080 1.00 0.00 C ATOM 850 O GLU A 55 8.782 2.650 13.327 1.00 0.00 O ATOM 851 CB GLU A 55 11.221 3.956 13.871 1.00 0.00 C ATOM 852 CG GLU A 55 11.835 2.667 13.342 1.00 0.00 C ATOM 853 CD GLU A 55 13.144 2.891 12.604 1.00 0.00 C ATOM 854 OE1 GLU A 55 13.229 3.856 11.813 1.00 0.00 O ATOM 855 OE2 GLU A 55 14.084 2.098 12.816 1.00 0.00 O ATOM 0 H GLU A 55 10.377 6.578 12.357 1.00 0.00 H new ATOM 0 HA GLU A 55 10.522 4.420 11.893 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.014 4.682 14.049 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.748 3.758 14.833 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.006 1.984 14.174 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.125 2.181 12.672 1.00 0.00 H new ATOM 862 N ASN A 56 7.742 4.612 12.928 1.00 0.00 N ATOM 863 CA ASN A 56 6.395 4.057 13.048 1.00 0.00 C ATOM 864 C ASN A 56 5.540 4.444 11.839 1.00 0.00 C ATOM 865 O ASN A 56 4.326 4.625 11.961 1.00 0.00 O ATOM 866 CB ASN A 56 5.725 4.543 14.341 1.00 0.00 C ATOM 867 CG ASN A 56 6.554 4.276 15.587 1.00 0.00 C ATOM 868 OD1 ASN A 56 6.674 5.137 16.457 1.00 0.00 O ATOM 869 ND2 ASN A 56 7.125 3.081 15.686 1.00 0.00 N ATOM 0 H ASN A 56 7.767 5.611 12.721 1.00 0.00 H new ATOM 0 HA ASN A 56 6.479 2.971 13.082 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.534 5.613 14.263 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.757 4.054 14.446 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.687 2.851 16.505 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.002 2.394 14.943 1.00 0.00 H new ATOM 876 N VAL A 57 6.181 4.567 10.675 1.00 0.00 N ATOM 877 CA VAL A 57 5.485 4.931 9.438 1.00 0.00 C ATOM 878 C VAL A 57 5.906 4.021 8.281 1.00 0.00 C ATOM 879 O VAL A 57 7.014 4.140 7.756 1.00 0.00 O ATOM 880 CB VAL A 57 5.735 6.410 9.047 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.755 7.325 9.763 1.00 0.00 C ATOM 882 CG2 VAL A 57 7.170 6.832 9.345 1.00 0.00 C ATOM 0 H VAL A 57 7.184 4.419 10.563 1.00 0.00 H new ATOM 0 HA VAL A 57 4.420 4.801 9.629 1.00 0.00 H new ATOM 0 HB VAL A 57 5.577 6.498 7.972 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.946 8.359 9.476 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.736 7.054 9.487 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.879 7.219 10.841 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.310 7.874 9.058 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.369 6.719 10.411 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.859 6.205 8.779 1.00 0.00 H new ATOM 892 N PHE A 58 5.011 3.110 7.892 1.00 0.00 N ATOM 893 CA PHE A 58 5.278 2.172 6.799 1.00 0.00 C ATOM 894 C PHE A 58 3.982 1.718 6.133 1.00 0.00 C ATOM 895 O PHE A 58 2.931 1.658 6.766 1.00 0.00 O ATOM 896 CB PHE A 58 6.065 0.950 7.303 1.00 0.00 C ATOM 897 CG PHE A 58 5.632 0.457 8.656 1.00 0.00 C ATOM 898 CD1 PHE A 58 4.512 -0.346 8.786 1.00 0.00 C ATOM 899 CD2 PHE A 58 6.338 0.810 9.794 1.00 0.00 C ATOM 900 CE1 PHE A 58 4.103 -0.789 10.029 1.00 0.00 C ATOM 901 CE2 PHE A 58 5.935 0.368 11.040 1.00 0.00 C ATOM 902 CZ PHE A 58 4.814 -0.429 11.156 1.00 0.00 C ATOM 0 H PHE A 58 4.091 3.002 8.320 1.00 0.00 H new ATOM 0 HA PHE A 58 5.882 2.696 6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.958 0.140 6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.124 1.204 7.343 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.952 -0.629 7.907 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.213 1.437 9.707 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.228 -1.416 10.119 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.496 0.645 11.920 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.493 -0.771 12.129 1.00 0.00 H new ATOM 912 N ILE A 59 4.072 1.408 4.846 1.00 0.00 N ATOM 913 CA ILE A 59 2.922 0.963 4.077 1.00 0.00 C ATOM 914 C ILE A 59 3.060 -0.509 3.675 1.00 0.00 C ATOM 915 O ILE A 59 3.918 -0.863 2.868 1.00 0.00 O ATOM 916 CB ILE A 59 2.725 1.848 2.822 1.00 0.00 C ATOM 917 CG1 ILE A 59 1.554 1.348 1.976 1.00 0.00 C ATOM 918 CG2 ILE A 59 3.997 1.909 1.987 1.00 0.00 C ATOM 919 CD1 ILE A 59 1.120 2.327 0.906 1.00 0.00 C ATOM 0 H ILE A 59 4.939 1.458 4.311 1.00 0.00 H new ATOM 0 HA ILE A 59 2.041 1.060 4.712 1.00 0.00 H new ATOM 0 HB ILE A 59 2.494 2.857 3.164 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.833 0.406 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.708 1.138 2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.828 2.537 1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.805 2.329 2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.269 0.904 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.286 1.906 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.809 3.262 1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.952 2.519 0.229 1.00 0.00 H new ATOM 931 N VAL A 60 2.213 -1.364 4.249 1.00 0.00 N ATOM 932 CA VAL A 60 2.246 -2.795 3.954 1.00 0.00 C ATOM 933 C VAL A 60 1.228 -3.159 2.867 1.00 0.00 C ATOM 934 O VAL A 60 0.157 -2.556 2.777 1.00 0.00 O ATOM 935 CB VAL A 60 1.993 -3.655 5.225 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.592 -2.996 6.463 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.508 -3.918 5.436 1.00 0.00 C ATOM 0 H VAL A 60 1.496 -1.090 4.921 1.00 0.00 H new ATOM 0 HA VAL A 60 3.248 -3.018 3.588 1.00 0.00 H new ATOM 0 HB VAL A 60 2.488 -4.613 5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.400 -3.619 7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.668 -2.881 6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.137 -2.016 6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.369 -4.522 6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.017 -2.970 5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.107 -4.451 4.574 1.00 0.00 H new ATOM 947 N SER A 61 1.572 -4.152 2.045 1.00 0.00 N ATOM 948 CA SER A 61 0.691 -4.597 0.965 1.00 0.00 C ATOM 949 C SER A 61 -0.044 -5.881 1.352 1.00 0.00 C ATOM 950 O SER A 61 0.422 -6.635 2.211 1.00 0.00 O ATOM 951 CB SER A 61 1.491 -4.823 -0.322 1.00 0.00 C ATOM 952 OG SER A 61 2.776 -5.356 -0.046 1.00 0.00 O ATOM 0 H SER A 61 2.453 -4.662 2.107 1.00 0.00 H new ATOM 0 HA SER A 61 -0.047 -3.814 0.792 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.946 -5.504 -0.976 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.594 -3.880 -0.858 1.00 0.00 H new ATOM 0 HG SER A 61 3.262 -5.491 -0.886 1.00 0.00 H new ATOM 958 N PRO A 62 -1.205 -6.152 0.716 1.00 0.00 N ATOM 959 CA PRO A 62 -2.000 -7.352 0.996 1.00 0.00 C ATOM 960 C PRO A 62 -1.212 -8.637 0.789 1.00 0.00 C ATOM 961 O PRO A 62 -0.854 -8.987 -0.338 1.00 0.00 O ATOM 962 CB PRO A 62 -3.164 -7.278 0.002 1.00 0.00 C ATOM 963 CG PRO A 62 -2.765 -6.259 -1.013 1.00 0.00 C ATOM 964 CD PRO A 62 -1.830 -5.310 -0.318 1.00 0.00 C ATOM 0 HA PRO A 62 -2.321 -7.376 2.037 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.342 -8.247 -0.465 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.089 -6.991 0.503 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.276 -6.731 -1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.638 -5.732 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.090 -4.899 -1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.364 -4.466 0.118 1.00 0.00 H new ATOM 972 N TYR A 63 -0.948 -9.334 1.890 1.00 0.00 N ATOM 973 CA TYR A 63 -0.199 -10.592 1.851 1.00 0.00 C ATOM 974 C TYR A 63 -0.010 -11.171 3.256 1.00 0.00 C ATOM 975 O TYR A 63 -0.675 -12.140 3.626 1.00 0.00 O ATOM 976 CB TYR A 63 1.169 -10.388 1.178 1.00 0.00 C ATOM 977 CG TYR A 63 1.558 -11.509 0.237 1.00 0.00 C ATOM 978 CD1 TYR A 63 1.740 -12.804 0.705 1.00 0.00 C ATOM 979 CD2 TYR A 63 1.748 -11.267 -1.119 1.00 0.00 C ATOM 980 CE1 TYR A 63 2.099 -13.827 -0.148 1.00 0.00 C ATOM 981 CE2 TYR A 63 2.108 -12.286 -1.979 1.00 0.00 C ATOM 982 CZ TYR A 63 2.282 -13.564 -1.491 1.00 0.00 C ATOM 983 OH TYR A 63 2.640 -14.582 -2.346 1.00 0.00 O ATOM 0 H TYR A 63 -1.242 -9.050 2.825 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.780 -11.303 1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.155 -9.449 0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.933 -10.292 1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.598 -13.014 1.755 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.612 -10.268 -1.505 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.236 -14.828 0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.253 -12.083 -3.030 1.00 0.00 H new ATOM 0 HH TYR A 63 2.727 -14.229 -3.256 1.00 0.00 H new ATOM 993 N ASN A 64 0.901 -10.577 4.031 1.00 0.00 N ATOM 994 CA ASN A 64 1.178 -11.037 5.390 1.00 0.00 C ATOM 995 C ASN A 64 1.187 -9.869 6.373 1.00 0.00 C ATOM 996 O ASN A 64 1.472 -8.731 5.993 1.00 0.00 O ATOM 997 CB ASN A 64 2.527 -11.771 5.447 1.00 0.00 C ATOM 998 CG ASN A 64 2.676 -12.822 4.360 1.00 0.00 C ATOM 999 OD1 ASN A 64 3.645 -12.807 3.601 1.00 0.00 O ATOM 1000 ND2 ASN A 64 1.718 -13.738 4.275 1.00 0.00 N ATOM 0 H ASN A 64 1.459 -9.775 3.738 1.00 0.00 H new ATOM 0 HA ASN A 64 0.383 -11.726 5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 64 3.334 -11.044 5.355 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.635 -12.246 6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.769 -14.465 3.561 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.931 -13.715 4.924 1.00 0.00 H new ATOM 1007 N HIS A 65 0.877 -10.154 7.638 1.00 0.00 N ATOM 1008 CA HIS A 65 0.856 -9.120 8.670 1.00 0.00 C ATOM 1009 C HIS A 65 2.272 -8.836 9.167 1.00 0.00 C ATOM 1010 O HIS A 65 2.925 -9.711 9.740 1.00 0.00 O ATOM 1011 CB HIS A 65 -0.036 -9.547 9.840 1.00 0.00 C ATOM 1012 CG HIS A 65 -0.965 -8.470 10.311 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -2.339 -8.592 10.275 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -0.711 -7.249 10.835 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -2.889 -7.490 10.757 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -1.923 -6.661 11.104 1.00 0.00 N ATOM 0 H HIS A 65 0.638 -11.088 7.971 1.00 0.00 H new ATOM 0 HA HIS A 65 0.447 -8.209 8.234 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.622 -10.416 9.541 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.595 -9.860 10.672 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.263 -6.817 11.009 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.948 -7.301 10.851 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.055 -5.733 11.507 1.00 0.00 H new ATOM 1025 N THR A 66 2.742 -7.611 8.940 1.00 0.00 N ATOM 1026 CA THR A 66 4.083 -7.210 9.357 1.00 0.00 C ATOM 1027 C THR A 66 4.135 -5.711 9.638 1.00 0.00 C ATOM 1028 O THR A 66 4.269 -4.902 8.718 1.00 0.00 O ATOM 1029 CB THR A 66 5.112 -7.574 8.279 1.00 0.00 C ATOM 1030 OG1 THR A 66 4.794 -6.948 7.046 1.00 0.00 O ATOM 1031 CG2 THR A 66 5.221 -9.062 8.020 1.00 0.00 C ATOM 0 H THR A 66 2.212 -6.878 8.469 1.00 0.00 H new ATOM 0 HA THR A 66 4.326 -7.747 10.274 1.00 0.00 H new ATOM 0 HB THR A 66 6.066 -7.221 8.670 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.442 -6.049 7.217 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.967 -9.243 7.246 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.519 -9.570 8.937 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.256 -9.445 7.690 1.00 0.00 H new ATOM 1039 N ASN A 67 4.025 -5.345 10.911 1.00 0.00 N ATOM 1040 CA ASN A 67 4.060 -3.940 11.300 1.00 0.00 C ATOM 1041 C ASN A 67 5.498 -3.467 11.499 1.00 0.00 C ATOM 1042 O ASN A 67 5.908 -3.137 12.614 1.00 0.00 O ATOM 1043 CB ASN A 67 3.233 -3.715 12.570 1.00 0.00 C ATOM 1044 CG ASN A 67 1.763 -3.490 12.263 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.202 -2.446 12.596 1.00 0.00 O ATOM 1046 ND2 ASN A 67 1.132 -4.468 11.622 1.00 0.00 N ATOM 0 H ASN A 67 3.912 -5.998 11.687 1.00 0.00 H new ATOM 0 HA ASN A 67 3.621 -3.351 10.495 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.337 -4.578 13.228 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.626 -2.854 13.110 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.144 -4.370 11.387 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.635 -5.317 11.365 1.00 0.00 H new ATOM 1053 N LEU A 68 6.254 -3.432 10.402 1.00 0.00 N ATOM 1054 CA LEU A 68 7.649 -2.998 10.429 1.00 0.00 C ATOM 1055 C LEU A 68 8.136 -2.635 9.022 1.00 0.00 C ATOM 1056 O LEU A 68 8.449 -1.475 8.754 1.00 0.00 O ATOM 1057 CB LEU A 68 8.543 -4.085 11.045 1.00 0.00 C ATOM 1058 CG LEU A 68 8.802 -3.948 12.551 1.00 0.00 C ATOM 1059 CD1 LEU A 68 9.622 -5.122 13.063 1.00 0.00 C ATOM 1060 CD2 LEU A 68 9.501 -2.630 12.861 1.00 0.00 C ATOM 0 H LEU A 68 5.919 -3.702 9.477 1.00 0.00 H new ATOM 0 HA LEU A 68 7.713 -2.106 11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.085 -5.057 10.859 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.502 -4.080 10.527 1.00 0.00 H new ATOM 0 HG LEU A 68 7.840 -3.952 13.063 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.795 -5.006 14.133 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.081 -6.051 12.881 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.579 -5.152 12.542 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.675 -2.554 13.934 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.455 -2.592 12.335 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.874 -1.800 12.535 1.00 0.00 H new ATOM 1072 N PRO A 69 8.205 -3.620 8.095 1.00 0.00 N ATOM 1073 CA PRO A 69 8.657 -3.384 6.712 1.00 0.00 C ATOM 1074 C PRO A 69 7.703 -2.492 5.914 1.00 0.00 C ATOM 1075 O PRO A 69 6.620 -2.141 6.386 1.00 0.00 O ATOM 1076 CB PRO A 69 8.708 -4.790 6.105 1.00 0.00 C ATOM 1077 CG PRO A 69 7.763 -5.595 6.926 1.00 0.00 C ATOM 1078 CD PRO A 69 7.854 -5.038 8.318 1.00 0.00 C ATOM 0 HA PRO A 69 9.611 -2.857 6.690 1.00 0.00 H new ATOM 0 HB2 PRO A 69 8.410 -4.779 5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.716 -5.202 6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.747 -5.519 6.540 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.032 -6.651 6.909 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.910 -5.139 8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.613 -5.552 8.908 1.00 0.00 H new ATOM 1086 N THR A 70 8.122 -2.128 4.699 1.00 0.00 N ATOM 1087 CA THR A 70 7.322 -1.270 3.823 1.00 0.00 C ATOM 1088 C THR A 70 7.342 -1.779 2.380 1.00 0.00 C ATOM 1089 O THR A 70 8.261 -2.484 1.986 1.00 0.00 O ATOM 1090 CB THR A 70 7.861 0.163 3.868 1.00 0.00 C ATOM 1091 OG1 THR A 70 7.932 0.635 5.203 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.026 1.146 3.079 1.00 0.00 C ATOM 0 H THR A 70 9.015 -2.416 4.299 1.00 0.00 H new ATOM 0 HA THR A 70 6.292 -1.289 4.179 1.00 0.00 H new ATOM 0 HB THR A 70 8.851 0.108 3.415 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.280 1.551 5.208 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.466 2.140 3.155 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.997 0.841 2.033 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.012 1.166 3.479 1.00 0.00 H new ATOM 1100 N VAL A 71 6.329 -1.404 1.598 1.00 0.00 N ATOM 1101 CA VAL A 71 6.240 -1.806 0.190 1.00 0.00 C ATOM 1102 C VAL A 71 5.852 -0.614 -0.687 1.00 0.00 C ATOM 1103 O VAL A 71 5.405 0.416 -0.178 1.00 0.00 O ATOM 1104 CB VAL A 71 5.214 -2.945 -0.024 1.00 0.00 C ATOM 1105 CG1 VAL A 71 5.588 -4.180 0.785 1.00 0.00 C ATOM 1106 CG2 VAL A 71 3.805 -2.482 0.321 1.00 0.00 C ATOM 0 H VAL A 71 5.555 -0.820 1.915 1.00 0.00 H new ATOM 0 HA VAL A 71 7.226 -2.172 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 71 5.234 -3.215 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.850 -4.964 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.571 -4.534 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.611 -3.927 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.104 -3.301 0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.770 -2.172 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.532 -1.641 -0.317 1.00 0.00 H new ATOM 1116 N THR A 72 6.020 -0.751 -2.002 1.00 0.00 N ATOM 1117 CA THR A 72 5.674 0.329 -2.929 1.00 0.00 C ATOM 1118 C THR A 72 4.155 0.521 -3.005 1.00 0.00 C ATOM 1119 O THR A 72 3.394 -0.443 -2.915 1.00 0.00 O ATOM 1120 CB THR A 72 6.239 0.037 -4.323 1.00 0.00 C ATOM 1121 OG1 THR A 72 5.966 -1.298 -4.704 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.736 0.246 -4.419 1.00 0.00 C ATOM 0 H THR A 72 6.390 -1.591 -2.448 1.00 0.00 H new ATOM 0 HA THR A 72 6.117 1.251 -2.554 1.00 0.00 H new ATOM 0 HB THR A 72 5.747 0.746 -4.989 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.637 -1.894 -4.311 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.070 0.022 -5.432 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.975 1.282 -4.179 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.242 -0.415 -3.715 1.00 0.00 H new ATOM 1130 N PRO A 73 3.695 1.780 -3.176 1.00 0.00 N ATOM 1131 CA PRO A 73 2.262 2.105 -3.266 1.00 0.00 C ATOM 1132 C PRO A 73 1.631 1.618 -4.568 1.00 0.00 C ATOM 1133 O PRO A 73 0.483 1.171 -4.581 1.00 0.00 O ATOM 1134 CB PRO A 73 2.244 3.632 -3.212 1.00 0.00 C ATOM 1135 CG PRO A 73 3.571 4.044 -3.741 1.00 0.00 C ATOM 1136 CD PRO A 73 4.540 2.985 -3.297 1.00 0.00 C ATOM 0 HA PRO A 73 1.688 1.624 -2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.433 4.040 -3.815 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.095 3.991 -2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.550 4.123 -4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.858 5.022 -3.356 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.341 2.843 -4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.011 3.243 -2.348 1.00 0.00 H new ATOM 1144 N THR A 74 2.395 1.710 -5.659 1.00 0.00 N ATOM 1145 CA THR A 74 1.924 1.281 -6.978 1.00 0.00 C ATOM 1146 C THR A 74 1.508 -0.197 -6.985 1.00 0.00 C ATOM 1147 O THR A 74 0.796 -0.636 -7.890 1.00 0.00 O ATOM 1148 CB THR A 74 3.002 1.529 -8.038 1.00 0.00 C ATOM 1149 OG1 THR A 74 3.727 2.717 -7.757 1.00 0.00 O ATOM 1150 CG2 THR A 74 2.450 1.650 -9.444 1.00 0.00 C ATOM 0 H THR A 74 3.346 2.079 -5.655 1.00 0.00 H new ATOM 0 HA THR A 74 1.042 1.875 -7.217 1.00 0.00 H new ATOM 0 HB THR A 74 3.649 0.653 -7.994 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.411 2.854 -8.446 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.268 1.825 -10.142 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.934 0.728 -9.713 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.750 2.484 -9.489 1.00 0.00 H new ATOM 1158 N TYR A 75 1.949 -0.955 -5.969 1.00 0.00 N ATOM 1159 CA TYR A 75 1.614 -2.379 -5.853 1.00 0.00 C ATOM 1160 C TYR A 75 0.121 -2.621 -6.100 1.00 0.00 C ATOM 1161 O TYR A 75 -0.258 -3.634 -6.681 1.00 0.00 O ATOM 1162 CB TYR A 75 1.993 -2.895 -4.457 1.00 0.00 C ATOM 1163 CG TYR A 75 2.537 -4.309 -4.433 1.00 0.00 C ATOM 1164 CD1 TYR A 75 1.827 -5.364 -4.996 1.00 0.00 C ATOM 1165 CD2 TYR A 75 3.762 -4.589 -3.840 1.00 0.00 C ATOM 1166 CE1 TYR A 75 2.324 -6.654 -4.969 1.00 0.00 C ATOM 1167 CE2 TYR A 75 4.265 -5.876 -3.809 1.00 0.00 C ATOM 1168 CZ TYR A 75 3.542 -6.905 -4.375 1.00 0.00 C ATOM 1169 OH TYR A 75 4.040 -8.187 -4.346 1.00 0.00 O ATOM 0 H TYR A 75 2.539 -0.603 -5.216 1.00 0.00 H new ATOM 0 HA TYR A 75 2.180 -2.919 -6.612 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.738 -2.226 -4.027 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.113 -2.847 -3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.872 -5.173 -5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.331 -3.786 -3.395 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.760 -7.462 -5.412 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.219 -6.075 -3.344 1.00 0.00 H new ATOM 0 HH TYR A 75 5.005 -8.159 -4.179 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.718 -1.683 -5.656 1.00 0.00 N ATOM 1180 CA ILE A 76 -2.166 -1.796 -5.830 1.00 0.00 C ATOM 1181 C ILE A 76 -2.544 -1.866 -7.310 1.00 0.00 C ATOM 1182 O ILE A 76 -3.107 -2.862 -7.761 1.00 0.00 O ATOM 1183 CB ILE A 76 -2.913 -0.611 -5.183 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.563 -0.494 -3.695 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.418 -0.759 -5.373 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.247 -1.520 -2.816 1.00 0.00 C ATOM 0 H ILE A 76 -0.418 -0.836 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.465 -2.719 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.593 0.306 -5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.484 -0.593 -3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.831 0.503 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.928 0.086 -4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.650 -0.784 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.754 -1.685 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.947 -1.369 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.328 -1.409 -2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.959 -2.522 -3.135 1.00 0.00 H new ATOM 1198 N LYS A 77 -2.231 -0.807 -8.059 1.00 0.00 N ATOM 1199 CA LYS A 77 -2.540 -0.760 -9.489 1.00 0.00 C ATOM 1200 C LYS A 77 -1.879 -1.919 -10.239 1.00 0.00 C ATOM 1201 O LYS A 77 -2.394 -2.379 -11.260 1.00 0.00 O ATOM 1202 CB LYS A 77 -2.093 0.575 -10.094 1.00 0.00 C ATOM 1203 CG LYS A 77 -3.118 1.197 -11.030 1.00 0.00 C ATOM 1204 CD LYS A 77 -2.999 2.713 -11.067 1.00 0.00 C ATOM 1205 CE LYS A 77 -4.367 3.384 -11.116 1.00 0.00 C ATOM 1206 NZ LYS A 77 -4.968 3.335 -12.479 1.00 0.00 N ATOM 0 H LYS A 77 -1.765 0.027 -7.701 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.621 -0.855 -9.595 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.879 1.276 -9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.162 0.423 -10.639 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.983 0.797 -12.035 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.121 0.918 -10.708 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.456 3.057 -10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.416 3.011 -11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.036 2.895 -10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.272 4.423 -10.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.889 3.817 -12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.335 3.809 -13.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.099 2.344 -12.765 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.740 -2.390 -9.724 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.013 -3.496 -10.343 1.00 0.00 C ATOM 1222 C ALA A 78 -0.581 -4.856 -9.934 1.00 0.00 C ATOM 1223 O ALA A 78 -0.409 -5.836 -10.652 1.00 0.00 O ATOM 1224 CB ALA A 78 1.461 -3.422 -9.988 1.00 0.00 C ATOM 0 H ALA A 78 -0.303 -2.021 -8.879 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.132 -3.399 -11.422 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.990 -4.252 -10.456 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.875 -2.480 -10.347 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.578 -3.481 -8.906 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.245 -4.916 -8.779 1.00 0.00 N ATOM 1231 CA CYS A 79 -1.821 -6.169 -8.292 1.00 0.00 C ATOM 1232 C CYS A 79 -3.306 -6.283 -8.644 1.00 0.00 C ATOM 1233 O CYS A 79 -3.831 -7.386 -8.792 1.00 0.00 O ATOM 1234 CB CYS A 79 -1.635 -6.291 -6.779 1.00 0.00 C ATOM 1235 SG CYS A 79 -1.757 -7.983 -6.153 1.00 0.00 S ATOM 0 H CYS A 79 -1.397 -4.115 -8.166 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.293 -6.984 -8.787 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.660 -5.885 -6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.385 -5.676 -6.281 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.211 -8.801 -7.003 1.00 0.00 H new ATOM 1241 N CYS A 80 -3.977 -5.143 -8.779 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.396 -5.131 -9.116 1.00 0.00 C ATOM 1243 C CYS A 80 -5.598 -5.191 -10.627 1.00 0.00 C ATOM 1244 O CYS A 80 -6.541 -5.821 -11.111 1.00 0.00 O ATOM 1245 CB CYS A 80 -6.066 -3.879 -8.544 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.766 -4.142 -7.987 1.00 0.00 S ATOM 0 H CYS A 80 -3.562 -4.219 -8.661 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.858 -6.014 -8.674 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.473 -3.513 -7.706 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.061 -3.098 -9.304 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.246 -3.029 -7.518 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.711 -4.528 -11.371 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.797 -4.502 -12.830 1.00 0.00 C ATOM 1254 C GLN A 81 -3.859 -5.521 -13.475 1.00 0.00 C ATOM 1255 O GLN A 81 -4.242 -6.212 -14.421 1.00 0.00 O ATOM 1256 CB GLN A 81 -4.477 -3.101 -13.360 1.00 0.00 C ATOM 1257 CG GLN A 81 -5.310 -1.997 -12.724 1.00 0.00 C ATOM 1258 CD GLN A 81 -5.780 -0.961 -13.728 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -5.543 0.237 -13.561 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -6.453 -1.416 -14.782 1.00 0.00 N ATOM 0 H GLN A 81 -3.926 -4.003 -10.987 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.820 -4.769 -13.097 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.421 -2.891 -13.189 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.634 -3.086 -14.438 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.177 -2.439 -12.233 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.722 -1.505 -11.950 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.628 -2.416 -14.883 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.794 -0.765 -15.489 1.00 0.00 H new ATOM 1269 N SER A 82 -2.627 -5.599 -12.973 1.00 0.00 N ATOM 1270 CA SER A 82 -1.631 -6.522 -13.518 1.00 0.00 C ATOM 1271 C SER A 82 -1.527 -7.816 -12.707 1.00 0.00 C ATOM 1272 O SER A 82 -0.996 -8.811 -13.202 1.00 0.00 O ATOM 1273 CB SER A 82 -0.263 -5.841 -13.574 1.00 0.00 C ATOM 1274 OG SER A 82 -0.042 -5.242 -14.840 1.00 0.00 O ATOM 0 H SER A 82 -2.295 -5.035 -12.191 1.00 0.00 H new ATOM 0 HA SER A 82 -1.958 -6.790 -14.523 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.199 -5.083 -12.793 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.519 -6.573 -13.373 1.00 0.00 H new ATOM 0 HG SER A 82 0.251 -4.315 -14.717 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.019 -7.798 -11.463 1.00 0.00 N ATOM 1281 CA ASN A 83 -1.959 -8.967 -10.584 1.00 0.00 C ATOM 1282 C ASN A 83 -0.510 -9.292 -10.204 1.00 0.00 C ATOM 1283 O ASN A 83 -0.088 -9.028 -9.078 1.00 0.00 O ATOM 1284 CB ASN A 83 -2.632 -10.181 -11.237 1.00 0.00 C ATOM 1285 CG ASN A 83 -3.681 -10.813 -10.339 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -3.438 -11.053 -9.156 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -4.858 -11.087 -10.894 1.00 0.00 N ATOM 0 H ASN A 83 -2.464 -6.982 -11.043 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.505 -8.727 -9.672 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.097 -9.875 -12.174 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.874 -10.924 -11.484 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.599 -11.511 -10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.020 -10.873 -11.878 1.00 0.00 H new ATOM 1294 N SER A 84 0.250 -9.849 -11.150 1.00 0.00 N ATOM 1295 CA SER A 84 1.652 -10.191 -10.913 1.00 0.00 C ATOM 1296 C SER A 84 2.533 -9.806 -12.105 1.00 0.00 C ATOM 1297 O SER A 84 3.668 -10.274 -12.225 1.00 0.00 O ATOM 1298 CB SER A 84 1.789 -11.688 -10.619 1.00 0.00 C ATOM 1299 OG SER A 84 1.340 -11.996 -9.308 1.00 0.00 O ATOM 0 H SER A 84 -0.084 -10.072 -12.088 1.00 0.00 H new ATOM 0 HA SER A 84 1.992 -9.622 -10.048 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.213 -12.259 -11.347 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.831 -11.989 -10.730 1.00 0.00 H new ATOM 0 HG SER A 84 1.437 -12.958 -9.147 1.00 0.00 H new ATOM 1305 N LEU A 85 2.015 -8.936 -12.977 1.00 0.00 N ATOM 1306 CA LEU A 85 2.762 -8.477 -14.144 1.00 0.00 C ATOM 1307 C LEU A 85 3.884 -7.526 -13.725 1.00 0.00 C ATOM 1308 O LEU A 85 4.947 -7.497 -14.346 1.00 0.00 O ATOM 1309 CB LEU A 85 1.824 -7.779 -15.136 1.00 0.00 C ATOM 1310 CG LEU A 85 2.140 -8.016 -16.615 1.00 0.00 C ATOM 1311 CD1 LEU A 85 0.867 -7.964 -17.447 1.00 0.00 C ATOM 1312 CD2 LEU A 85 3.150 -6.991 -17.112 1.00 0.00 C ATOM 0 H LEU A 85 1.080 -8.537 -12.894 1.00 0.00 H new ATOM 0 HA LEU A 85 3.206 -9.346 -14.630 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.804 -8.112 -14.942 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.851 -6.707 -14.943 1.00 0.00 H new ATOM 0 HG LEU A 85 2.577 -9.009 -16.722 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.111 -8.135 -18.496 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.177 -8.735 -17.105 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.400 -6.985 -17.337 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.365 -7.173 -18.165 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.739 -5.988 -16.993 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.070 -7.077 -16.534 1.00 0.00 H new ATOM 1324 N LEU A 86 3.638 -6.747 -12.666 1.00 0.00 N ATOM 1325 CA LEU A 86 4.626 -5.799 -12.165 1.00 0.00 C ATOM 1326 C LEU A 86 5.320 -6.340 -10.916 1.00 0.00 C ATOM 1327 O LEU A 86 4.750 -6.336 -9.822 1.00 0.00 O ATOM 1328 CB LEU A 86 3.968 -4.451 -11.864 1.00 0.00 C ATOM 1329 CG LEU A 86 4.054 -3.423 -12.995 1.00 0.00 C ATOM 1330 CD1 LEU A 86 3.301 -3.912 -14.222 1.00 0.00 C ATOM 1331 CD2 LEU A 86 3.514 -2.077 -12.537 1.00 0.00 C ATOM 0 H LEU A 86 2.762 -6.758 -12.143 1.00 0.00 H new ATOM 0 HA LEU A 86 5.380 -5.657 -12.939 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.918 -4.621 -11.627 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.432 -4.028 -10.973 1.00 0.00 H new ATOM 0 HG LEU A 86 5.103 -3.298 -13.265 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.374 -3.167 -15.015 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.735 -4.851 -14.565 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.253 -4.069 -13.967 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.584 -1.360 -13.355 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.472 -2.186 -12.238 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.099 -1.719 -11.690 1.00 0.00 H new ATOM 1343 N ASN A 87 6.558 -6.792 -11.094 1.00 0.00 N ATOM 1344 CA ASN A 87 7.359 -7.330 -9.998 1.00 0.00 C ATOM 1345 C ASN A 87 8.118 -6.216 -9.280 1.00 0.00 C ATOM 1346 O ASN A 87 8.519 -6.380 -8.128 1.00 0.00 O ATOM 1347 CB ASN A 87 8.343 -8.384 -10.513 1.00 0.00 C ATOM 1348 CG ASN A 87 8.579 -9.501 -9.512 1.00 0.00 C ATOM 1349 OD1 ASN A 87 9.146 -9.158 -8.358 1.00 0.00 O flip ATOM 1350 ND2 ASN A 87 8.256 -10.659 -9.771 1.00 0.00 N flip ATOM 0 H ASN A 87 7.033 -6.796 -11.997 1.00 0.00 H new ATOM 0 HA ASN A 87 6.679 -7.801 -9.288 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.962 -8.808 -11.442 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.293 -7.905 -10.748 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.824 -10.879 -10.668 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.420 -11.399 -9.089 1.00 0.00 H new ATOM 1357 N MET A 88 8.302 -5.078 -9.961 1.00 0.00 N ATOM 1358 CA MET A 88 8.997 -3.937 -9.368 1.00 0.00 C ATOM 1359 C MET A 88 8.323 -3.518 -8.062 1.00 0.00 C ATOM 1360 O MET A 88 8.950 -2.897 -7.203 1.00 0.00 O ATOM 1361 CB MET A 88 9.026 -2.756 -10.342 1.00 0.00 C ATOM 1362 CG MET A 88 10.312 -2.659 -11.148 1.00 0.00 C ATOM 1363 SD MET A 88 10.806 -0.954 -11.461 1.00 0.00 S ATOM 1364 CE MET A 88 12.556 -1.159 -11.778 1.00 0.00 C ATOM 0 H MET A 88 7.980 -4.927 -10.917 1.00 0.00 H new ATOM 0 HA MET A 88 10.022 -4.240 -9.154 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.183 -2.842 -11.028 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.888 -1.831 -9.782 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.111 -3.173 -10.614 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.181 -3.176 -12.099 1.00 0.00 H new ATOM 0 HE1 MET A 88 13.004 -0.188 -11.989 1.00 0.00 H new ATOM 0 HE2 MET A 88 13.035 -1.597 -10.903 1.00 0.00 H new ATOM 0 HE3 MET A 88 12.696 -1.817 -12.636 1.00 0.00 H new ATOM 1374 N GLU A 89 7.041 -3.879 -7.911 1.00 0.00 N ATOM 1375 CA GLU A 89 6.288 -3.555 -6.695 1.00 0.00 C ATOM 1376 C GLU A 89 6.851 -4.283 -5.480 1.00 0.00 C ATOM 1377 O GLU A 89 6.578 -3.905 -4.340 1.00 0.00 O ATOM 1378 CB GLU A 89 4.807 -3.901 -6.862 1.00 0.00 C ATOM 1379 CG GLU A 89 4.198 -3.400 -8.165 1.00 0.00 C ATOM 1380 CD GLU A 89 4.146 -1.883 -8.261 1.00 0.00 C ATOM 1381 OE1 GLU A 89 4.592 -1.200 -7.313 1.00 0.00 O ATOM 1382 OE2 GLU A 89 3.656 -1.376 -9.290 1.00 0.00 O ATOM 0 H GLU A 89 6.508 -4.393 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 89 6.387 -2.482 -6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.689 -4.983 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.249 -3.479 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.777 -3.790 -9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.188 -3.798 -8.263 1.00 0.00 H new ATOM 1389 N ASN A 90 7.661 -5.312 -5.721 1.00 0.00 N ATOM 1390 CA ASN A 90 8.280 -6.065 -4.641 1.00 0.00 C ATOM 1391 C ASN A 90 9.430 -5.275 -4.002 1.00 0.00 C ATOM 1392 O ASN A 90 10.162 -5.817 -3.172 1.00 0.00 O ATOM 1393 CB ASN A 90 8.781 -7.423 -5.144 1.00 0.00 C ATOM 1394 CG ASN A 90 7.726 -8.506 -5.022 1.00 0.00 C ATOM 1395 OD1 ASN A 90 7.176 -8.670 -3.821 1.00 0.00 O flip ATOM 1396 ND2 ASN A 90 7.409 -9.191 -5.993 1.00 0.00 N flip ATOM 0 H ASN A 90 7.902 -5.641 -6.656 1.00 0.00 H new ATOM 0 HA ASN A 90 7.521 -6.236 -3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.086 -7.332 -6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.665 -7.714 -4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.855 -9.033 -6.896 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.700 -9.917 -5.895 1.00 0.00 H new ATOM 1403 N TYR A 91 9.591 -3.995 -4.384 1.00 0.00 N ATOM 1404 CA TYR A 91 10.649 -3.137 -3.841 1.00 0.00 C ATOM 1405 C TYR A 91 10.410 -2.777 -2.367 1.00 0.00 C ATOM 1406 O TYR A 91 10.637 -1.638 -1.950 1.00 0.00 O ATOM 1407 CB TYR A 91 10.761 -1.856 -4.674 1.00 0.00 C ATOM 1408 CG TYR A 91 12.183 -1.479 -5.025 1.00 0.00 C ATOM 1409 CD1 TYR A 91 13.049 -0.990 -4.056 1.00 0.00 C ATOM 1410 CD2 TYR A 91 12.655 -1.609 -6.324 1.00 0.00 C ATOM 1411 CE1 TYR A 91 14.350 -0.642 -4.372 1.00 0.00 C ATOM 1412 CE2 TYR A 91 13.953 -1.263 -6.648 1.00 0.00 C ATOM 1413 CZ TYR A 91 14.797 -0.781 -5.670 1.00 0.00 C ATOM 1414 OH TYR A 91 16.089 -0.432 -5.989 1.00 0.00 O ATOM 0 H TYR A 91 8.995 -3.534 -5.072 1.00 0.00 H new ATOM 0 HA TYR A 91 11.581 -3.700 -3.894 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.190 -1.981 -5.594 1.00 0.00 H new ATOM 0 HB3 TYR A 91 10.302 -1.034 -4.124 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.701 -0.880 -3.039 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.998 -1.986 -7.093 1.00 0.00 H new ATOM 0 HE1 TYR A 91 15.012 -0.264 -3.607 1.00 0.00 H new ATOM 0 HE2 TYR A 91 14.305 -1.370 -7.663 1.00 0.00 H new ATOM 0 HH TYR A 91 16.245 -0.591 -6.943 1.00 0.00 H new ATOM 1424 N LEU A 92 9.976 -3.756 -1.581 1.00 0.00 N ATOM 1425 CA LEU A 92 9.731 -3.558 -0.165 1.00 0.00 C ATOM 1426 C LEU A 92 11.045 -3.431 0.603 1.00 0.00 C ATOM 1427 O LEU A 92 12.104 -3.829 0.110 1.00 0.00 O ATOM 1428 CB LEU A 92 8.908 -4.720 0.397 1.00 0.00 C ATOM 1429 CG LEU A 92 9.383 -6.123 -0.002 1.00 0.00 C ATOM 1430 CD1 LEU A 92 9.711 -6.951 1.233 1.00 0.00 C ATOM 1431 CD2 LEU A 92 8.326 -6.820 -0.849 1.00 0.00 C ATOM 0 H LEU A 92 9.786 -4.703 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 92 9.170 -2.631 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.911 -4.651 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.874 -4.600 0.072 1.00 0.00 H new ATOM 0 HG LEU A 92 10.292 -6.023 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.046 -7.942 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.501 -6.460 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.821 -7.044 1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.678 -7.814 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.402 -6.907 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.141 -6.238 -1.752 1.00 0.00 H new ATOM 1443 N VAL A 93 10.969 -2.882 1.815 1.00 0.00 N ATOM 1444 CA VAL A 93 12.143 -2.707 2.658 1.00 0.00 C ATOM 1445 C VAL A 93 12.231 -3.826 3.698 1.00 0.00 C ATOM 1446 O VAL A 93 11.501 -3.817 4.691 1.00 0.00 O ATOM 1447 CB VAL A 93 12.121 -1.343 3.385 1.00 0.00 C ATOM 1448 CG1 VAL A 93 13.445 -1.089 4.092 1.00 0.00 C ATOM 1449 CG2 VAL A 93 11.806 -0.214 2.412 1.00 0.00 C ATOM 0 H VAL A 93 10.100 -2.550 2.233 1.00 0.00 H new ATOM 0 HA VAL A 93 13.015 -2.742 2.005 1.00 0.00 H new ATOM 0 HB VAL A 93 11.332 -1.373 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 93 13.408 -0.124 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 93 13.623 -1.876 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.253 -1.085 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.796 0.735 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.567 -0.183 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.829 -0.386 1.960 1.00 0.00 H new ATOM 1459 N PRO A 94 13.131 -4.804 3.482 1.00 0.00 N ATOM 1460 CA PRO A 94 13.317 -5.926 4.400 1.00 0.00 C ATOM 1461 C PRO A 94 14.243 -5.577 5.563 1.00 0.00 C ATOM 1462 O PRO A 94 14.831 -4.492 5.594 1.00 0.00 O ATOM 1463 CB PRO A 94 13.956 -6.985 3.506 1.00 0.00 C ATOM 1464 CG PRO A 94 14.760 -6.205 2.522 1.00 0.00 C ATOM 1465 CD PRO A 94 14.040 -4.893 2.321 1.00 0.00 C ATOM 0 HA PRO A 94 12.385 -6.240 4.870 1.00 0.00 H new ATOM 0 HB2 PRO A 94 14.584 -7.665 4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.201 -7.593 3.008 1.00 0.00 H new ATOM 0 HG2 PRO A 94 15.772 -6.039 2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.850 -6.746 1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.737 -4.055 2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.489 -4.880 1.381 1.00 0.00 H new ATOM 1473 N TYR A 95 14.369 -6.502 6.515 1.00 0.00 N ATOM 1474 CA TYR A 95 15.224 -6.296 7.684 1.00 0.00 C ATOM 1475 C TYR A 95 14.820 -5.031 8.447 1.00 0.00 C ATOM 1476 O TYR A 95 15.673 -4.288 8.940 1.00 0.00 O ATOM 1477 CB TYR A 95 16.695 -6.216 7.253 1.00 0.00 C ATOM 1478 CG TYR A 95 17.575 -7.269 7.891 1.00 0.00 C ATOM 1479 CD1 TYR A 95 17.461 -8.607 7.531 1.00 0.00 C ATOM 1480 CD2 TYR A 95 18.520 -6.925 8.850 1.00 0.00 C ATOM 1481 CE1 TYR A 95 18.264 -9.571 8.110 1.00 0.00 C ATOM 1482 CE2 TYR A 95 19.325 -7.883 9.433 1.00 0.00 C ATOM 1483 CZ TYR A 95 19.195 -9.205 9.061 1.00 0.00 C ATOM 1484 OH TYR A 95 19.997 -10.162 9.639 1.00 0.00 O ATOM 0 H TYR A 95 13.889 -7.402 6.499 1.00 0.00 H new ATOM 0 HA TYR A 95 15.097 -7.146 8.355 1.00 0.00 H new ATOM 0 HB2 TYR A 95 16.753 -6.315 6.169 1.00 0.00 H new ATOM 0 HB3 TYR A 95 17.085 -5.229 7.504 1.00 0.00 H new ATOM 0 HD1 TYR A 95 16.734 -8.897 6.787 1.00 0.00 H new ATOM 0 HD2 TYR A 95 18.626 -5.891 9.144 1.00 0.00 H new ATOM 0 HE1 TYR A 95 18.164 -10.606 7.820 1.00 0.00 H new ATOM 0 HE2 TYR A 95 20.054 -7.599 10.178 1.00 0.00 H new ATOM 0 HH TYR A 95 20.598 -9.738 10.287 1.00 0.00 H new ATOM 1494 N ASP A 96 13.511 -4.796 8.546 1.00 0.00 N ATOM 1495 CA ASP A 96 12.986 -3.630 9.251 1.00 0.00 C ATOM 1496 C ASP A 96 12.711 -3.964 10.719 1.00 0.00 C ATOM 1497 O ASP A 96 11.629 -3.694 11.236 1.00 0.00 O ATOM 1498 CB ASP A 96 11.703 -3.140 8.567 1.00 0.00 C ATOM 1499 CG ASP A 96 11.614 -1.627 8.501 1.00 0.00 C ATOM 1500 OD1 ASP A 96 11.608 -0.982 9.570 1.00 0.00 O ATOM 1501 OD2 ASP A 96 11.548 -1.085 7.375 1.00 0.00 O ATOM 0 H ASP A 96 12.794 -5.401 8.145 1.00 0.00 H new ATOM 0 HA ASP A 96 13.733 -2.837 9.216 1.00 0.00 H new ATOM 0 HB2 ASP A 96 11.657 -3.547 7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 96 10.838 -3.527 9.106 1.00 0.00 H new ATOM 1506 N ASN A 97 13.702 -4.561 11.385 1.00 0.00 N ATOM 1507 CA ASN A 97 13.569 -4.938 12.791 1.00 0.00 C ATOM 1508 C ASN A 97 14.123 -3.854 13.720 1.00 0.00 C ATOM 1509 O ASN A 97 13.982 -4.009 14.953 1.00 0.00 O ATOM 1510 CB ASN A 97 14.285 -6.269 13.047 1.00 0.00 C ATOM 1511 CG ASN A 97 13.326 -7.380 13.436 1.00 0.00 C ATOM 1512 OD1 ASN A 97 13.261 -7.782 14.597 1.00 0.00 O ATOM 1513 ND2 ASN A 97 12.574 -7.883 12.462 1.00 0.00 N ATOM 0 H ASN A 97 14.605 -4.793 10.972 1.00 0.00 H new ATOM 0 HA ASN A 97 12.507 -5.051 13.008 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.831 -6.562 12.150 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.021 -6.135 13.839 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.911 -8.632 12.664 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.660 -7.520 11.513 1.00 0.00 H new TER 1520 ASN A 97