USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 987 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 98 THR OG1 : rot 29:sc= 0.89 USER MOD Set 1.2: A 110 GLN : amide:sc= -0.0245 K(o=0.87,f=0.13) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.0577 K(o=3.6,f=0.45) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 170:sc= 2.5 (180deg=1.02) USER MOD Set 2.3: A 80 ASN : amide:sc= 1.11 K(o=3.6,f=-5.9!) USER MOD Set 3.1: A 75 LYS NZ :NH3+ -113:sc= 0.235 (180deg=-1.74!) USER MOD Set 3.2: A 77 TYR OH : rot -139:sc= 0.253 USER MOD Set 4.1: A 70 TYR OH : rot 180:sc= 0.753 USER MOD Set 4.2: A 124 ASN :FLIP amide:sc= 0.162 F(o=-0.44!,f=0.91) USER MOD Set 5.1: A 33 ASN : amide:sc= 0.398 K(o=0.44,f=-11!) USER MOD Set 5.2: A 34 LYS NZ :NH3+ -170:sc= 0.0454! (180deg=-0.829) USER MOD Set 6.1: A 16 THR OG1 : rot -7:sc= 0.765 USER MOD Set 6.2: A 65 LYS NZ :NH3+ 140:sc= 1.21 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= 0.0225 K(o=0.023,f=-0.62) USER MOD Single : A 4 HIS : no HD1:sc=-0.00946 X(o=-0.0095,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.013) USER MOD Single : A 6 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.04) USER MOD Single : A 7 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -125:sc= 0.0496 USER MOD Single : A 15 GLN : amide:sc= 0.587 K(o=0.59,f=-0.42) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -161:sc= -0.189 (180deg=-0.769) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -73:sc= 1.23 USER MOD Single : A 37 SER OG : rot -31:sc= 0.387 USER MOD Single : A 38 CYS SG : rot 91:sc= -2.36! USER MOD Single : A 39 ASN : amide:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.359 F(o=-0.97,f=-0.36) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0621 F(o=-1.2,f=-0.062) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 71 THR OG1 : rot -19:sc= 0.0933 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 84 ASN : amide:sc= -1.9 K(o=-1.9,f=-6.5!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.11) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -157:sc= -0.46 (180deg=-1.04) USER MOD Single : A 103 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.15) USER MOD Single : A 104 ASN : amide:sc= -1.92 K(o=-1.9,f=-5.4!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000961) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -171:sc= -0.0101 (180deg=-0.126) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN :FLIP amide:sc= -0.221 F(o=-0.88,f=-0.22) USER MOD Single : A 126 ASN : amide:sc= -1.08 K(o=-1.1,f=-7.5!) USER MOD Single : A 128 ASN :FLIP amide:sc= -0.0375 F(o=-1.8!,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.595 17.624 15.354 1.00 73.24 N ATOM 2 CA MET A 1 -8.324 16.944 15.023 1.00 53.02 C ATOM 3 C MET A 1 -8.486 15.443 15.218 1.00 61.40 C ATOM 4 O MET A 1 -8.604 14.966 16.349 1.00 10.15 O ATOM 5 CB MET A 1 -7.179 17.471 15.902 1.00 60.25 C ATOM 6 CG MET A 1 -5.833 16.806 15.625 1.00 75.42 C ATOM 7 SD MET A 1 -4.519 17.416 16.702 1.00 33.20 S ATOM 8 CE MET A 1 -3.123 16.452 16.125 1.00 63.14 C ATOM 0 H1 MET A 1 -9.485 18.650 15.221 1.00 73.24 H new ATOM 0 H2 MET A 1 -10.349 17.273 14.730 1.00 73.24 H new ATOM 0 H3 MET A 1 -9.846 17.428 16.344 1.00 73.24 H new ATOM 0 HA MET A 1 -8.075 17.151 13.982 1.00 53.02 H new ATOM 0 HB2 MET A 1 -7.081 18.546 15.749 1.00 60.25 H new ATOM 0 HB3 MET A 1 -7.439 17.321 16.950 1.00 60.25 H new ATOM 0 HG2 MET A 1 -5.932 15.728 15.754 1.00 75.42 H new ATOM 0 HG3 MET A 1 -5.554 16.978 14.585 1.00 75.42 H new ATOM 0 HE1 MET A 1 -2.235 16.719 16.698 1.00 63.14 H new ATOM 0 HE2 MET A 1 -3.334 15.391 16.257 1.00 63.14 H new ATOM 0 HE3 MET A 1 -2.949 16.659 15.069 1.00 63.14 H new ATOM 20 N ALA A 2 -8.508 14.703 14.118 1.00 4.20 N ATOM 21 CA ALA A 2 -8.701 13.260 14.169 1.00 23.41 C ATOM 22 C ALA A 2 -7.363 12.530 14.246 1.00 34.04 C ATOM 23 O ALA A 2 -6.318 13.078 13.896 1.00 4.43 O ATOM 24 CB ALA A 2 -9.494 12.792 12.952 1.00 14.54 C ATOM 0 H ALA A 2 -8.394 15.079 13.177 1.00 4.20 H new ATOM 0 HA ALA A 2 -9.266 13.023 15.071 1.00 23.41 H new ATOM 0 HB1 ALA A 2 -9.632 11.712 13.001 1.00 14.54 H new ATOM 0 HB2 ALA A 2 -10.468 13.282 12.942 1.00 14.54 H new ATOM 0 HB3 ALA A 2 -8.950 13.047 12.043 1.00 14.54 H new ATOM 30 N HIS A 3 -7.413 11.297 14.717 1.00 52.43 N ATOM 31 CA HIS A 3 -6.250 10.417 14.771 1.00 23.31 C ATOM 32 C HIS A 3 -6.719 8.993 14.499 1.00 63.32 C ATOM 33 O HIS A 3 -6.145 8.015 14.984 1.00 44.40 O ATOM 34 CB HIS A 3 -5.551 10.522 16.137 1.00 42.32 C ATOM 35 CG HIS A 3 -6.432 10.194 17.305 1.00 31.34 C ATOM 36 ND1 HIS A 3 -6.674 8.906 17.728 1.00 43.53 N ATOM 37 CD2 HIS A 3 -7.121 10.999 18.147 1.00 4.31 C ATOM 38 CE1 HIS A 3 -7.475 8.933 18.777 1.00 23.24 C ATOM 39 NE2 HIS A 3 -7.759 10.192 19.054 1.00 65.04 N ATOM 0 H HIS A 3 -8.267 10.871 15.077 1.00 52.43 H new ATOM 0 HA HIS A 3 -5.521 10.712 14.017 1.00 23.31 H new ATOM 0 HB2 HIS A 3 -4.691 9.852 16.145 1.00 42.32 H new ATOM 0 HB3 HIS A 3 -5.167 11.535 16.259 1.00 42.32 H new ATOM 0 HD1 HIS A 3 -6.294 8.063 17.298 1.00 43.53 H new ATOM 0 HD2 HIS A 3 -7.161 12.078 18.111 1.00 4.31 H new ATOM 0 HE1 HIS A 3 -7.837 8.071 19.317 1.00 23.24 H new ATOM 48 N HIS A 4 -7.770 8.904 13.690 1.00 71.22 N ATOM 49 CA HIS A 4 -8.432 7.645 13.383 1.00 40.44 C ATOM 50 C HIS A 4 -7.679 6.917 12.274 1.00 42.51 C ATOM 51 O HIS A 4 -8.052 6.993 11.099 1.00 15.33 O ATOM 52 CB HIS A 4 -9.887 7.920 12.969 1.00 22.12 C ATOM 53 CG HIS A 4 -10.749 6.698 12.837 1.00 24.11 C ATOM 54 ND1 HIS A 4 -11.729 6.384 13.749 1.00 5.22 N ATOM 55 CD2 HIS A 4 -10.804 5.736 11.883 1.00 70.13 C ATOM 56 CE1 HIS A 4 -12.350 5.285 13.366 1.00 43.14 C ATOM 57 NE2 HIS A 4 -11.811 4.871 12.234 1.00 33.43 N ATOM 0 H HIS A 4 -8.188 9.711 13.227 1.00 71.22 H new ATOM 0 HA HIS A 4 -8.435 7.007 14.267 1.00 40.44 H new ATOM 0 HB2 HIS A 4 -10.338 8.587 13.703 1.00 22.12 H new ATOM 0 HB3 HIS A 4 -9.884 8.449 12.016 1.00 22.12 H new ATOM 0 HD2 HIS A 4 -10.173 5.664 11.009 1.00 70.13 H new ATOM 0 HE1 HIS A 4 -13.163 4.805 13.890 1.00 43.14 H new ATOM 0 HE2 HIS A 4 -12.096 4.045 11.707 1.00 33.43 H new ATOM 66 N HIS A 5 -6.597 6.245 12.648 1.00 33.03 N ATOM 67 CA HIS A 5 -5.764 5.520 11.690 1.00 63.31 C ATOM 68 C HIS A 5 -5.639 4.056 12.107 1.00 14.45 C ATOM 69 O HIS A 5 -4.916 3.730 13.049 1.00 33.53 O ATOM 70 CB HIS A 5 -4.371 6.168 11.593 1.00 65.22 C ATOM 71 CG HIS A 5 -3.500 5.604 10.499 1.00 2.32 C ATOM 72 ND1 HIS A 5 -3.105 6.339 9.404 1.00 51.22 N ATOM 73 CD2 HIS A 5 -2.934 4.379 10.342 1.00 52.42 C ATOM 74 CE1 HIS A 5 -2.345 5.598 8.621 1.00 32.40 C ATOM 75 NE2 HIS A 5 -2.224 4.407 9.170 1.00 53.32 N ATOM 0 H HIS A 5 -6.273 6.186 13.613 1.00 33.03 H new ATOM 0 HA HIS A 5 -6.237 5.567 10.709 1.00 63.31 H new ATOM 0 HB2 HIS A 5 -4.492 7.239 11.430 1.00 65.22 H new ATOM 0 HB3 HIS A 5 -3.859 6.047 12.548 1.00 65.22 H new ATOM 0 HD2 HIS A 5 -3.026 3.540 11.015 1.00 52.42 H new ATOM 0 HE1 HIS A 5 -1.899 5.914 7.690 1.00 32.40 H new ATOM 0 HE2 HIS A 5 -1.688 3.630 8.785 1.00 53.32 H new ATOM 84 N HIS A 6 -6.367 3.186 11.418 1.00 75.12 N ATOM 85 CA HIS A 6 -6.299 1.744 11.658 1.00 34.43 C ATOM 86 C HIS A 6 -5.269 1.107 10.725 1.00 23.31 C ATOM 87 O HIS A 6 -5.063 1.591 9.610 1.00 54.44 O ATOM 88 CB HIS A 6 -7.686 1.118 11.435 1.00 42.00 C ATOM 89 CG HIS A 6 -7.720 -0.379 11.529 1.00 13.52 C ATOM 90 ND1 HIS A 6 -7.805 -1.196 10.423 1.00 32.33 N ATOM 91 CD2 HIS A 6 -7.700 -1.207 12.602 1.00 12.01 C ATOM 92 CE1 HIS A 6 -7.837 -2.455 10.809 1.00 63.32 C ATOM 93 NE2 HIS A 6 -7.773 -2.491 12.124 1.00 73.40 N ATOM 0 H HIS A 6 -7.019 3.455 10.681 1.00 75.12 H new ATOM 0 HA HIS A 6 -5.991 1.563 12.688 1.00 34.43 H new ATOM 0 HB2 HIS A 6 -8.378 1.530 12.169 1.00 42.00 H new ATOM 0 HB3 HIS A 6 -8.050 1.415 10.451 1.00 42.00 H new ATOM 0 HD2 HIS A 6 -7.638 -0.911 13.639 1.00 12.01 H new ATOM 0 HE1 HIS A 6 -7.904 -3.313 10.157 1.00 63.32 H new ATOM 0 HE2 HIS A 6 -7.777 -3.336 12.695 1.00 73.40 H new ATOM 102 N HIS A 7 -4.608 0.042 11.183 1.00 62.42 N ATOM 103 CA HIS A 7 -3.644 -0.683 10.349 1.00 65.13 C ATOM 104 C HIS A 7 -3.748 -2.190 10.601 1.00 32.10 C ATOM 105 O HIS A 7 -3.686 -2.641 11.746 1.00 12.14 O ATOM 106 CB HIS A 7 -2.205 -0.185 10.603 1.00 65.21 C ATOM 107 CG HIS A 7 -1.618 -0.602 11.927 1.00 32.15 C ATOM 108 ND1 HIS A 7 -0.607 -1.533 12.037 1.00 30.24 N ATOM 109 CD2 HIS A 7 -1.889 -0.198 13.194 1.00 1.33 C ATOM 110 CE1 HIS A 7 -0.286 -1.683 13.306 1.00 0.14 C ATOM 111 NE2 HIS A 7 -1.047 -0.887 14.031 1.00 45.42 N ATOM 0 H HIS A 7 -4.721 -0.337 12.123 1.00 62.42 H new ATOM 0 HA HIS A 7 -3.885 -0.489 9.304 1.00 65.13 H new ATOM 0 HB2 HIS A 7 -1.562 -0.553 9.804 1.00 65.21 H new ATOM 0 HB3 HIS A 7 -2.196 0.903 10.544 1.00 65.21 H new ATOM 0 HD2 HIS A 7 -2.630 0.530 13.489 1.00 1.33 H new ATOM 0 HE1 HIS A 7 0.474 -2.348 13.689 1.00 0.14 H new ATOM 0 HE2 HIS A 7 -1.015 -0.798 15.047 1.00 45.42 H new ATOM 120 N HIS A 8 -3.925 -2.953 9.522 1.00 13.45 N ATOM 121 CA HIS A 8 -4.050 -4.409 9.595 1.00 23.23 C ATOM 122 C HIS A 8 -4.121 -4.996 8.187 1.00 74.33 C ATOM 123 O HIS A 8 -4.802 -4.446 7.322 1.00 52.42 O ATOM 124 CB HIS A 8 -5.307 -4.806 10.384 1.00 33.02 C ATOM 125 CG HIS A 8 -5.489 -6.290 10.532 1.00 23.32 C ATOM 126 ND1 HIS A 8 -6.243 -7.055 9.664 1.00 24.34 N ATOM 127 CD2 HIS A 8 -5.005 -7.148 11.459 1.00 53.33 C ATOM 128 CE1 HIS A 8 -6.214 -8.315 10.055 1.00 31.13 C ATOM 129 NE2 HIS A 8 -5.470 -8.398 11.140 1.00 15.55 N ATOM 0 H HIS A 8 -3.986 -2.580 8.575 1.00 13.45 H new ATOM 0 HA HIS A 8 -3.175 -4.805 10.110 1.00 23.23 H new ATOM 0 HB2 HIS A 8 -5.260 -4.355 11.375 1.00 33.02 H new ATOM 0 HB3 HIS A 8 -6.183 -4.390 9.886 1.00 33.02 H new ATOM 0 HD2 HIS A 8 -4.370 -6.895 12.295 1.00 53.33 H new ATOM 0 HE1 HIS A 8 -6.715 -9.139 9.568 1.00 31.13 H new ATOM 0 HE2 HIS A 8 -5.272 -9.254 11.659 1.00 15.55 H new ATOM 138 N MET A 9 -3.420 -6.102 7.961 1.00 13.43 N ATOM 139 CA MET A 9 -3.428 -6.766 6.657 1.00 15.14 C ATOM 140 C MET A 9 -3.302 -8.279 6.828 1.00 73.11 C ATOM 141 O MET A 9 -3.040 -8.766 7.931 1.00 44.24 O ATOM 142 CB MET A 9 -2.283 -6.236 5.773 1.00 12.04 C ATOM 143 CG MET A 9 -0.887 -6.588 6.279 1.00 32.20 C ATOM 144 SD MET A 9 0.423 -5.930 5.223 1.00 63.45 S ATOM 145 CE MET A 9 1.875 -6.608 6.029 1.00 61.35 C ATOM 0 H MET A 9 -2.838 -6.560 8.663 1.00 13.43 H new ATOM 0 HA MET A 9 -4.377 -6.546 6.167 1.00 15.14 H new ATOM 0 HB2 MET A 9 -2.403 -6.634 4.765 1.00 12.04 H new ATOM 0 HB3 MET A 9 -2.368 -5.152 5.700 1.00 12.04 H new ATOM 0 HG2 MET A 9 -0.763 -6.200 7.290 1.00 32.20 H new ATOM 0 HG3 MET A 9 -0.789 -7.672 6.340 1.00 32.20 H new ATOM 0 HE1 MET A 9 2.770 -6.291 5.493 1.00 61.35 H new ATOM 0 HE2 MET A 9 1.921 -6.249 7.057 1.00 61.35 H new ATOM 0 HE3 MET A 9 1.817 -7.696 6.027 1.00 61.35 H new ATOM 155 N GLY A 10 -3.495 -9.015 5.735 1.00 21.04 N ATOM 156 CA GLY A 10 -3.355 -10.461 5.766 1.00 12.25 C ATOM 157 C GLY A 10 -4.658 -11.170 6.083 1.00 70.45 C ATOM 158 O GLY A 10 -5.660 -10.529 6.414 1.00 34.22 O ATOM 0 H GLY A 10 -3.747 -8.632 4.824 1.00 21.04 H new ATOM 0 HA2 GLY A 10 -2.984 -10.806 4.801 1.00 12.25 H new ATOM 0 HA3 GLY A 10 -2.608 -10.733 6.511 1.00 12.25 H new ATOM 162 N THR A 11 -4.644 -12.496 5.975 1.00 23.34 N ATOM 163 CA THR A 11 -5.812 -13.318 6.265 1.00 5.34 C ATOM 164 C THR A 11 -5.489 -14.323 7.371 1.00 73.25 C ATOM 165 O THR A 11 -4.317 -14.577 7.670 1.00 41.22 O ATOM 166 CB THR A 11 -6.305 -14.069 5.000 1.00 3.23 C ATOM 167 OG1 THR A 11 -7.442 -14.893 5.314 1.00 31.45 O ATOM 168 CG2 THR A 11 -5.199 -14.934 4.401 1.00 54.52 C ATOM 0 H THR A 11 -3.824 -13.028 5.685 1.00 23.34 H new ATOM 0 HA THR A 11 -6.610 -12.655 6.599 1.00 5.34 H new ATOM 0 HB THR A 11 -6.594 -13.318 4.265 1.00 3.23 H new ATOM 0 HG1 THR A 11 -7.259 -15.818 5.048 1.00 31.45 H new ATOM 0 HG21 THR A 11 -5.577 -15.447 3.516 1.00 54.52 H new ATOM 0 HG22 THR A 11 -4.355 -14.303 4.122 1.00 54.52 H new ATOM 0 HG23 THR A 11 -4.875 -15.670 5.136 1.00 54.52 H new ATOM 176 N LEU A 12 -6.531 -14.891 7.973 1.00 74.23 N ATOM 177 CA LEU A 12 -6.372 -15.841 9.073 1.00 43.44 C ATOM 178 C LEU A 12 -6.111 -17.248 8.536 1.00 71.21 C ATOM 179 O LEU A 12 -5.481 -18.070 9.200 1.00 3.42 O ATOM 180 CB LEU A 12 -7.617 -15.845 9.983 1.00 12.22 C ATOM 181 CG LEU A 12 -7.905 -14.531 10.744 1.00 24.24 C ATOM 182 CD1 LEU A 12 -6.676 -14.076 11.528 1.00 50.32 C ATOM 183 CD2 LEU A 12 -8.387 -13.431 9.797 1.00 34.25 C ATOM 0 H LEU A 12 -7.501 -14.709 7.716 1.00 74.23 H new ATOM 0 HA LEU A 12 -5.513 -15.526 9.665 1.00 43.44 H new ATOM 0 HB2 LEU A 12 -8.487 -16.086 9.373 1.00 12.22 H new ATOM 0 HB3 LEU A 12 -7.507 -16.647 10.713 1.00 12.22 H new ATOM 0 HG LEU A 12 -8.708 -14.729 11.454 1.00 24.24 H new ATOM 0 HD11 LEU A 12 -6.903 -13.149 12.055 1.00 50.32 H new ATOM 0 HD12 LEU A 12 -6.399 -14.845 12.249 1.00 50.32 H new ATOM 0 HD13 LEU A 12 -5.847 -13.908 10.840 1.00 50.32 H new ATOM 0 HD21 LEU A 12 -8.580 -12.521 10.365 1.00 34.25 H new ATOM 0 HD22 LEU A 12 -7.621 -13.235 9.047 1.00 34.25 H new ATOM 0 HD23 LEU A 12 -9.304 -13.752 9.303 1.00 34.25 H new ATOM 195 N GLU A 13 -6.591 -17.517 7.326 1.00 14.14 N ATOM 196 CA GLU A 13 -6.417 -18.826 6.701 1.00 12.15 C ATOM 197 C GLU A 13 -6.122 -18.674 5.212 1.00 4.31 C ATOM 198 O GLU A 13 -6.722 -17.834 4.530 1.00 75.42 O ATOM 199 CB GLU A 13 -7.667 -19.700 6.912 1.00 73.01 C ATOM 200 CG GLU A 13 -7.606 -21.052 6.199 1.00 3.41 C ATOM 201 CD GLU A 13 -8.752 -21.980 6.578 1.00 32.20 C ATOM 202 OE1 GLU A 13 -8.532 -22.891 7.407 1.00 74.13 O ATOM 203 OE2 GLU A 13 -9.878 -21.800 6.061 1.00 51.23 O1- ATOM 0 H GLU A 13 -7.105 -16.845 6.756 1.00 14.14 H new ATOM 0 HA GLU A 13 -5.568 -19.319 7.174 1.00 12.15 H new ATOM 0 HB2 GLU A 13 -7.804 -19.869 7.980 1.00 73.01 H new ATOM 0 HB3 GLU A 13 -8.543 -19.155 6.561 1.00 73.01 H new ATOM 0 HG2 GLU A 13 -7.620 -20.889 5.121 1.00 3.41 H new ATOM 0 HG3 GLU A 13 -6.659 -21.538 6.435 1.00 3.41 H new ATOM 210 N ALA A 14 -5.185 -19.482 4.720 1.00 44.53 N ATOM 211 CA ALA A 14 -4.832 -19.487 3.307 1.00 21.22 C ATOM 212 C ALA A 14 -5.895 -20.231 2.504 1.00 50.53 C ATOM 213 O ALA A 14 -5.804 -21.444 2.292 1.00 52.13 O ATOM 214 CB ALA A 14 -3.452 -20.113 3.104 1.00 0.11 C ATOM 0 H ALA A 14 -4.655 -20.145 5.286 1.00 44.53 H new ATOM 0 HA ALA A 14 -4.790 -18.458 2.949 1.00 21.22 H new ATOM 0 HB1 ALA A 14 -3.203 -20.109 2.043 1.00 0.11 H new ATOM 0 HB2 ALA A 14 -2.707 -19.538 3.653 1.00 0.11 H new ATOM 0 HB3 ALA A 14 -3.461 -21.139 3.471 1.00 0.11 H new ATOM 220 N GLN A 15 -6.930 -19.500 2.110 1.00 4.44 N ATOM 221 CA GLN A 15 -8.031 -20.062 1.343 1.00 35.21 C ATOM 222 C GLN A 15 -7.813 -19.822 -0.147 1.00 15.42 C ATOM 223 O GLN A 15 -6.796 -19.251 -0.551 1.00 13.51 O ATOM 224 CB GLN A 15 -9.361 -19.443 1.805 1.00 23.33 C ATOM 225 CG GLN A 15 -9.633 -19.648 3.292 1.00 20.14 C ATOM 226 CD GLN A 15 -10.972 -19.089 3.743 1.00 2.31 C ATOM 227 OE1 GLN A 15 -11.474 -18.108 3.189 1.00 15.13 O ATOM 228 NE2 GLN A 15 -11.552 -19.704 4.762 1.00 70.34 N ATOM 0 H GLN A 15 -7.029 -18.505 2.313 1.00 4.44 H new ATOM 0 HA GLN A 15 -8.071 -21.138 1.513 1.00 35.21 H new ATOM 0 HB2 GLN A 15 -9.353 -18.375 1.587 1.00 23.33 H new ATOM 0 HB3 GLN A 15 -10.177 -19.879 1.229 1.00 23.33 H new ATOM 0 HG2 GLN A 15 -9.598 -20.714 3.517 1.00 20.14 H new ATOM 0 HG3 GLN A 15 -8.838 -19.175 3.868 1.00 20.14 H new ATOM 0 HE21 GLN A 15 -11.103 -20.513 5.192 1.00 70.34 H new ATOM 0 HE22 GLN A 15 -12.448 -19.369 5.117 1.00 70.34 H new ATOM 237 N THR A 16 -8.765 -20.261 -0.954 1.00 54.35 N ATOM 238 CA THR A 16 -8.684 -20.117 -2.401 1.00 70.15 C ATOM 239 C THR A 16 -10.060 -19.783 -2.978 1.00 32.44 C ATOM 240 O THR A 16 -11.037 -20.486 -2.713 1.00 63.23 O ATOM 241 CB THR A 16 -8.130 -21.408 -3.054 1.00 55.41 C ATOM 242 OG1 THR A 16 -6.823 -21.683 -2.528 1.00 33.34 O ATOM 243 CG2 THR A 16 -8.045 -21.280 -4.572 1.00 42.31 C ATOM 0 H THR A 16 -9.613 -20.725 -0.628 1.00 54.35 H new ATOM 0 HA THR A 16 -7.999 -19.299 -2.624 1.00 70.15 H new ATOM 0 HB THR A 16 -8.814 -22.224 -2.821 1.00 55.41 H new ATOM 0 HG1 THR A 16 -6.533 -20.935 -1.965 1.00 33.34 H new ATOM 0 HG21 THR A 16 -7.652 -22.205 -4.994 1.00 42.31 H new ATOM 0 HG22 THR A 16 -9.039 -21.090 -4.977 1.00 42.31 H new ATOM 0 HG23 THR A 16 -7.383 -20.453 -4.831 1.00 42.31 H new ATOM 251 N GLN A 17 -10.133 -18.698 -3.747 1.00 5.12 N ATOM 252 CA GLN A 17 -11.394 -18.243 -4.332 1.00 31.24 C ATOM 253 C GLN A 17 -11.698 -18.989 -5.630 1.00 21.02 C ATOM 254 O GLN A 17 -12.854 -19.283 -5.931 1.00 15.31 O ATOM 255 CB GLN A 17 -11.338 -16.732 -4.593 1.00 44.40 C ATOM 256 CG GLN A 17 -11.119 -15.908 -3.329 1.00 20.35 C ATOM 257 CD GLN A 17 -11.007 -14.420 -3.607 1.00 71.40 C ATOM 258 OE1 GLN A 17 -9.917 -13.901 -3.838 1.00 24.53 O ATOM 259 NE2 GLN A 17 -12.135 -13.722 -3.592 1.00 70.42 N ATOM 0 H GLN A 17 -9.329 -18.115 -3.981 1.00 5.12 H new ATOM 0 HA GLN A 17 -12.194 -18.455 -3.623 1.00 31.24 H new ATOM 0 HB2 GLN A 17 -10.534 -16.522 -5.299 1.00 44.40 H new ATOM 0 HB3 GLN A 17 -12.268 -16.418 -5.066 1.00 44.40 H new ATOM 0 HG2 GLN A 17 -11.945 -16.083 -2.640 1.00 20.35 H new ATOM 0 HG3 GLN A 17 -10.211 -16.249 -2.832 1.00 20.35 H new ATOM 0 HE21 GLN A 17 -13.021 -14.188 -3.396 1.00 70.42 H new ATOM 0 HE22 GLN A 17 -12.117 -12.719 -3.776 1.00 70.42 H new ATOM 268 N GLY A 18 -10.651 -19.284 -6.396 1.00 22.20 N ATOM 269 CA GLY A 18 -10.818 -19.979 -7.661 1.00 74.21 C ATOM 270 C GLY A 18 -9.602 -19.832 -8.558 1.00 24.32 C ATOM 271 O GLY A 18 -9.424 -18.791 -9.197 1.00 62.33 O ATOM 0 H GLY A 18 -9.686 -19.053 -6.162 1.00 22.20 H new ATOM 0 HA2 GLY A 18 -11.003 -21.036 -7.472 1.00 74.21 H new ATOM 0 HA3 GLY A 18 -11.697 -19.589 -8.175 1.00 74.21 H new ATOM 275 N PRO A 19 -8.739 -20.864 -8.628 1.00 54.21 N ATOM 276 CA PRO A 19 -7.519 -20.828 -9.431 1.00 75.33 C ATOM 277 C PRO A 19 -7.757 -21.308 -10.862 1.00 4.25 C ATOM 278 O PRO A 19 -8.903 -21.456 -11.297 1.00 21.34 O ATOM 279 CB PRO A 19 -6.613 -21.801 -8.673 1.00 30.43 C ATOM 280 CG PRO A 19 -7.549 -22.846 -8.150 1.00 41.32 C ATOM 281 CD PRO A 19 -8.888 -22.166 -7.941 1.00 21.44 C ATOM 0 HA PRO A 19 -7.108 -19.825 -9.543 1.00 75.33 H new ATOM 0 HB2 PRO A 19 -5.858 -22.235 -9.329 1.00 30.43 H new ATOM 0 HB3 PRO A 19 -6.082 -21.301 -7.863 1.00 30.43 H new ATOM 0 HG2 PRO A 19 -7.640 -23.672 -8.856 1.00 41.32 H new ATOM 0 HG3 PRO A 19 -7.178 -23.265 -7.215 1.00 41.32 H new ATOM 0 HD2 PRO A 19 -9.703 -22.751 -8.367 1.00 21.44 H new ATOM 0 HD3 PRO A 19 -9.108 -22.035 -6.882 1.00 21.44 H new ATOM 289 N GLY A 20 -6.670 -21.520 -11.598 1.00 0.13 N ATOM 290 CA GLY A 20 -6.769 -22.145 -12.900 1.00 11.40 C ATOM 291 C GLY A 20 -7.147 -23.603 -12.756 1.00 30.41 C ATOM 292 O GLY A 20 -6.475 -24.335 -12.025 1.00 31.00 O ATOM 0 H GLY A 20 -5.723 -21.269 -11.314 1.00 0.13 H new ATOM 0 HA2 GLY A 20 -7.514 -21.627 -13.504 1.00 11.40 H new ATOM 0 HA3 GLY A 20 -5.818 -22.059 -13.425 1.00 11.40 H new ATOM 296 N SER A 21 -8.212 -24.014 -13.441 1.00 65.42 N ATOM 297 CA SER A 21 -8.784 -25.350 -13.281 1.00 70.35 C ATOM 298 C SER A 21 -7.707 -26.440 -13.225 1.00 61.03 C ATOM 299 O SER A 21 -7.108 -26.792 -14.245 1.00 35.42 O ATOM 300 CB SER A 21 -9.777 -25.641 -14.415 1.00 2.21 C ATOM 301 OG SER A 21 -10.835 -24.693 -14.423 1.00 14.23 O ATOM 0 H SER A 21 -8.702 -23.433 -14.121 1.00 65.42 H new ATOM 0 HA SER A 21 -9.310 -25.366 -12.326 1.00 70.35 H new ATOM 0 HB2 SER A 21 -9.257 -25.619 -15.373 1.00 2.21 H new ATOM 0 HB3 SER A 21 -10.185 -26.645 -14.297 1.00 2.21 H new ATOM 0 HG SER A 21 -11.453 -24.899 -15.155 1.00 14.23 H new ATOM 307 N MET A 22 -7.449 -26.939 -12.016 1.00 71.32 N ATOM 308 CA MET A 22 -6.528 -28.054 -11.815 1.00 14.44 C ATOM 309 C MET A 22 -7.199 -29.346 -12.252 1.00 34.21 C ATOM 310 O MET A 22 -6.531 -30.313 -12.624 1.00 25.22 O ATOM 311 CB MET A 22 -6.098 -28.157 -10.344 1.00 32.01 C ATOM 312 CG MET A 22 -5.172 -27.040 -9.886 1.00 64.35 C ATOM 313 SD MET A 22 -3.551 -27.101 -10.684 1.00 62.34 S ATOM 314 CE MET A 22 -2.947 -28.701 -10.136 1.00 41.55 C ATOM 0 H MET A 22 -7.869 -26.585 -11.157 1.00 71.32 H new ATOM 0 HA MET A 22 -5.635 -27.881 -12.415 1.00 14.44 H new ATOM 0 HB2 MET A 22 -6.989 -28.156 -9.716 1.00 32.01 H new ATOM 0 HB3 MET A 22 -5.599 -29.114 -10.189 1.00 32.01 H new ATOM 0 HG2 MET A 22 -5.639 -26.078 -10.096 1.00 64.35 H new ATOM 0 HG3 MET A 22 -5.042 -27.102 -8.806 1.00 64.35 H new ATOM 0 HE1 MET A 22 -1.864 -28.741 -10.253 1.00 41.55 H new ATOM 0 HE2 MET A 22 -3.204 -28.847 -9.087 1.00 41.55 H new ATOM 0 HE3 MET A 22 -3.406 -29.488 -10.735 1.00 41.55 H new ATOM 324 N ILE A 23 -8.532 -29.355 -12.192 1.00 11.52 N ATOM 325 CA ILE A 23 -9.317 -30.491 -12.655 1.00 62.20 C ATOM 326 C ILE A 23 -9.137 -30.641 -14.168 1.00 11.52 C ATOM 327 O ILE A 23 -9.880 -30.051 -14.961 1.00 51.53 O ATOM 328 CB ILE A 23 -10.823 -30.323 -12.322 1.00 4.53 C ATOM 329 CG1 ILE A 23 -11.015 -29.916 -10.847 1.00 14.53 C ATOM 330 CG2 ILE A 23 -11.593 -31.610 -12.632 1.00 3.25 C ATOM 331 CD1 ILE A 23 -10.453 -30.909 -9.848 1.00 12.43 C ATOM 0 H ILE A 23 -9.088 -28.583 -11.825 1.00 11.52 H new ATOM 0 HA ILE A 23 -8.962 -31.384 -12.140 1.00 62.20 H new ATOM 0 HB ILE A 23 -11.223 -29.526 -12.950 1.00 4.53 H new ATOM 0 HG12 ILE A 23 -10.542 -28.948 -10.685 1.00 14.53 H new ATOM 0 HG13 ILE A 23 -12.080 -29.787 -10.653 1.00 14.53 H new ATOM 0 HG21 ILE A 23 -12.647 -31.470 -12.391 1.00 3.25 H new ATOM 0 HG22 ILE A 23 -11.491 -31.849 -13.691 1.00 3.25 H new ATOM 0 HG23 ILE A 23 -11.190 -32.428 -12.035 1.00 3.25 H new ATOM 0 HD11 ILE A 23 -10.630 -30.546 -8.835 1.00 12.43 H new ATOM 0 HD12 ILE A 23 -10.943 -31.874 -9.979 1.00 12.43 H new ATOM 0 HD13 ILE A 23 -9.381 -31.022 -10.011 1.00 12.43 H new ATOM 343 N GLU A 24 -8.116 -31.398 -14.552 1.00 63.12 N ATOM 344 CA GLU A 24 -7.736 -31.551 -15.949 1.00 10.03 C ATOM 345 C GLU A 24 -8.824 -32.321 -16.697 1.00 51.50 C ATOM 346 O GLU A 24 -9.049 -33.507 -16.453 1.00 10.23 O ATOM 347 CB GLU A 24 -6.371 -32.262 -16.020 1.00 41.42 C ATOM 348 CG GLU A 24 -5.636 -32.116 -17.350 1.00 40.21 C ATOM 349 CD GLU A 24 -4.146 -32.419 -17.214 1.00 32.25 C ATOM 350 OE1 GLU A 24 -3.725 -33.562 -17.486 1.00 35.10 O ATOM 351 OE2 GLU A 24 -3.385 -31.523 -16.791 1.00 70.14 O1- ATOM 0 H GLU A 24 -7.529 -31.922 -13.903 1.00 63.12 H new ATOM 0 HA GLU A 24 -7.638 -30.577 -16.429 1.00 10.03 H new ATOM 0 HB2 GLU A 24 -5.734 -31.873 -15.225 1.00 41.42 H new ATOM 0 HB3 GLU A 24 -6.520 -33.323 -15.819 1.00 41.42 H new ATOM 0 HG2 GLU A 24 -6.078 -32.789 -18.085 1.00 40.21 H new ATOM 0 HG3 GLU A 24 -5.767 -31.102 -17.728 1.00 40.21 H new ATOM 358 N GLN A 25 -9.513 -31.635 -17.599 1.00 3.42 N ATOM 359 CA GLN A 25 -10.663 -32.210 -18.281 1.00 70.21 C ATOM 360 C GLN A 25 -10.235 -32.933 -19.552 1.00 62.55 C ATOM 361 O GLN A 25 -9.418 -32.425 -20.324 1.00 71.41 O ATOM 362 CB GLN A 25 -11.685 -31.119 -18.611 1.00 35.52 C ATOM 363 CG GLN A 25 -12.136 -30.320 -17.392 1.00 35.52 C ATOM 364 CD GLN A 25 -13.269 -29.361 -17.705 1.00 34.41 C ATOM 365 OE1 GLN A 25 -14.095 -29.624 -18.578 1.00 41.35 O ATOM 366 NE2 GLN A 25 -13.323 -28.248 -16.994 1.00 13.53 N ATOM 0 H GLN A 25 -9.294 -30.678 -17.875 1.00 3.42 H new ATOM 0 HA GLN A 25 -11.126 -32.937 -17.614 1.00 70.21 H new ATOM 0 HB2 GLN A 25 -11.253 -30.437 -19.343 1.00 35.52 H new ATOM 0 HB3 GLN A 25 -12.557 -31.578 -19.078 1.00 35.52 H new ATOM 0 HG2 GLN A 25 -12.454 -31.009 -16.609 1.00 35.52 H new ATOM 0 HG3 GLN A 25 -11.289 -29.759 -16.997 1.00 35.52 H new ATOM 0 HE21 GLN A 25 -12.619 -28.065 -16.278 1.00 13.53 H new ATOM 0 HE22 GLN A 25 -14.068 -27.572 -17.161 1.00 13.53 H new ATOM 375 N ILE A 26 -10.792 -34.121 -19.759 1.00 73.45 N ATOM 376 CA ILE A 26 -10.492 -34.940 -20.926 1.00 30.23 C ATOM 377 C ILE A 26 -11.765 -35.592 -21.456 1.00 44.22 C ATOM 378 O ILE A 26 -12.835 -35.468 -20.853 1.00 73.54 O ATOM 379 CB ILE A 26 -9.450 -36.044 -20.596 1.00 32.02 C ATOM 380 CG1 ILE A 26 -9.924 -36.902 -19.408 1.00 24.53 C ATOM 381 CG2 ILE A 26 -8.079 -35.429 -20.313 1.00 54.44 C ATOM 382 CD1 ILE A 26 -8.978 -38.030 -19.046 1.00 35.42 C ATOM 0 H ILE A 26 -11.466 -34.544 -19.120 1.00 73.45 H new ATOM 0 HA ILE A 26 -10.070 -34.283 -21.686 1.00 30.23 H new ATOM 0 HB ILE A 26 -9.354 -36.694 -21.466 1.00 32.02 H new ATOM 0 HG12 ILE A 26 -10.056 -36.259 -18.538 1.00 24.53 H new ATOM 0 HG13 ILE A 26 -10.901 -37.323 -19.644 1.00 24.53 H new ATOM 0 HG21 ILE A 26 -7.365 -36.221 -20.084 1.00 54.44 H new ATOM 0 HG22 ILE A 26 -7.740 -34.877 -21.190 1.00 54.44 H new ATOM 0 HG23 ILE A 26 -8.153 -34.751 -19.463 1.00 54.44 H new ATOM 0 HD11 ILE A 26 -9.382 -38.587 -18.201 1.00 35.42 H new ATOM 0 HD12 ILE A 26 -8.865 -38.698 -19.900 1.00 35.42 H new ATOM 0 HD13 ILE A 26 -8.006 -37.617 -18.777 1.00 35.42 H new ATOM 394 N GLY A 27 -11.645 -36.286 -22.582 1.00 62.23 N ATOM 395 CA GLY A 27 -12.778 -36.976 -23.174 1.00 35.05 C ATOM 396 C GLY A 27 -12.525 -38.465 -23.329 1.00 75.43 C ATOM 397 O GLY A 27 -11.553 -38.995 -22.782 1.00 55.43 O ATOM 0 H GLY A 27 -10.773 -36.384 -23.101 1.00 62.23 H new ATOM 0 HA2 GLY A 27 -13.660 -36.822 -22.553 1.00 35.05 H new ATOM 0 HA3 GLY A 27 -12.996 -36.543 -24.150 1.00 35.05 H new ATOM 401 N ASP A 28 -13.395 -39.132 -24.084 1.00 55.22 N ATOM 402 CA ASP A 28 -13.314 -40.580 -24.295 1.00 30.13 C ATOM 403 C ASP A 28 -11.931 -41.011 -24.794 1.00 31.43 C ATOM 404 O ASP A 28 -11.278 -41.857 -24.181 1.00 52.43 O ATOM 405 CB ASP A 28 -14.394 -41.025 -25.294 1.00 2.44 C ATOM 406 CG ASP A 28 -14.271 -42.488 -25.700 1.00 31.34 C ATOM 407 OD1 ASP A 28 -14.426 -43.369 -24.829 1.00 33.35 O ATOM 408 OD2 ASP A 28 -14.040 -42.764 -26.901 1.00 65.03 O1- ATOM 0 H ASP A 28 -14.176 -38.687 -24.567 1.00 55.22 H new ATOM 0 HA ASP A 28 -13.482 -41.063 -23.332 1.00 30.13 H new ATOM 0 HB2 ASP A 28 -15.377 -40.858 -24.854 1.00 2.44 H new ATOM 0 HB3 ASP A 28 -14.334 -40.401 -26.186 1.00 2.44 H new ATOM 413 N SER A 29 -11.479 -40.399 -25.883 1.00 43.14 N ATOM 414 CA SER A 29 -10.222 -40.783 -26.528 1.00 21.41 C ATOM 415 C SER A 29 -9.024 -40.468 -25.624 1.00 74.42 C ATOM 416 O SER A 29 -7.996 -41.146 -25.679 1.00 31.25 O ATOM 417 CB SER A 29 -10.087 -40.060 -27.878 1.00 13.32 C ATOM 418 OG SER A 29 -9.011 -40.578 -28.646 1.00 44.32 O ATOM 0 H SER A 29 -11.966 -39.629 -26.343 1.00 43.14 H new ATOM 0 HA SER A 29 -10.234 -41.859 -26.702 1.00 21.41 H new ATOM 0 HB2 SER A 29 -11.016 -40.161 -28.439 1.00 13.32 H new ATOM 0 HB3 SER A 29 -9.932 -38.995 -27.706 1.00 13.32 H new ATOM 0 HG SER A 29 -8.956 -40.097 -29.498 1.00 44.32 H new ATOM 424 N GLU A 30 -9.173 -39.444 -24.795 1.00 44.24 N ATOM 425 CA GLU A 30 -8.108 -39.006 -23.893 1.00 41.13 C ATOM 426 C GLU A 30 -8.088 -39.813 -22.597 1.00 44.35 C ATOM 427 O GLU A 30 -7.063 -39.863 -21.915 1.00 55.03 O ATOM 428 CB GLU A 30 -8.278 -37.514 -23.578 1.00 34.32 C ATOM 429 CG GLU A 30 -7.767 -36.582 -24.671 1.00 30.32 C ATOM 430 CD GLU A 30 -6.256 -36.406 -24.618 1.00 70.04 C ATOM 431 OE1 GLU A 30 -5.794 -35.294 -24.278 1.00 75.54 O ATOM 432 OE2 GLU A 30 -5.524 -37.382 -24.876 1.00 72.31 O1- ATOM 0 H GLU A 30 -10.029 -38.894 -24.726 1.00 44.24 H new ATOM 0 HA GLU A 30 -7.156 -39.172 -24.397 1.00 41.13 H new ATOM 0 HB2 GLU A 30 -9.335 -37.309 -23.406 1.00 34.32 H new ATOM 0 HB3 GLU A 30 -7.754 -37.288 -22.649 1.00 34.32 H new ATOM 0 HG2 GLU A 30 -8.051 -36.979 -25.646 1.00 30.32 H new ATOM 0 HG3 GLU A 30 -8.248 -35.609 -24.570 1.00 30.32 H new ATOM 439 N PHE A 31 -9.213 -40.443 -22.258 1.00 52.35 N ATOM 440 CA PHE A 31 -9.338 -41.160 -20.988 1.00 4.33 C ATOM 441 C PHE A 31 -8.239 -42.213 -20.829 1.00 54.44 C ATOM 442 O PHE A 31 -7.407 -42.121 -19.923 1.00 42.52 O ATOM 443 CB PHE A 31 -10.723 -41.816 -20.871 1.00 52.22 C ATOM 444 CG PHE A 31 -10.912 -42.608 -19.597 1.00 11.55 C ATOM 445 CD1 PHE A 31 -10.935 -43.998 -19.618 1.00 31.15 C ATOM 446 CD2 PHE A 31 -11.059 -41.960 -18.376 1.00 33.32 C ATOM 447 CE1 PHE A 31 -11.100 -44.721 -18.451 1.00 3.32 C ATOM 448 CE2 PHE A 31 -11.225 -42.681 -17.208 1.00 65.25 C ATOM 449 CZ PHE A 31 -11.246 -44.061 -17.246 1.00 11.43 C ATOM 0 H PHE A 31 -10.048 -40.472 -22.843 1.00 52.35 H new ATOM 0 HA PHE A 31 -9.224 -40.431 -20.186 1.00 4.33 H new ATOM 0 HB2 PHE A 31 -11.488 -41.042 -20.924 1.00 52.22 H new ATOM 0 HB3 PHE A 31 -10.877 -42.476 -21.725 1.00 52.22 H new ATOM 0 HD1 PHE A 31 -10.823 -44.519 -20.557 1.00 31.15 H new ATOM 0 HD2 PHE A 31 -11.043 -40.881 -18.339 1.00 33.32 H new ATOM 0 HE1 PHE A 31 -11.115 -45.800 -18.481 1.00 3.32 H new ATOM 0 HE2 PHE A 31 -11.338 -42.165 -16.266 1.00 65.25 H new ATOM 0 HZ PHE A 31 -11.377 -44.624 -16.334 1.00 11.43 H new ATOM 459 N ASP A 32 -8.219 -43.191 -21.730 1.00 24.45 N ATOM 460 CA ASP A 32 -7.234 -44.271 -21.667 1.00 14.44 C ATOM 461 C ASP A 32 -5.822 -43.711 -21.762 1.00 54.45 C ATOM 462 O ASP A 32 -4.938 -44.110 -21.006 1.00 73.42 O ATOM 463 CB ASP A 32 -7.477 -45.286 -22.791 1.00 2.53 C ATOM 464 CG ASP A 32 -6.429 -46.392 -22.829 1.00 22.33 C ATOM 465 OD1 ASP A 32 -6.515 -47.333 -22.009 1.00 54.10 O ATOM 466 OD2 ASP A 32 -5.526 -46.334 -23.694 1.00 35.01 O1- ATOM 0 H ASP A 32 -8.871 -43.260 -22.511 1.00 24.45 H new ATOM 0 HA ASP A 32 -7.344 -44.779 -20.709 1.00 14.44 H new ATOM 0 HB2 ASP A 32 -8.464 -45.732 -22.664 1.00 2.53 H new ATOM 0 HB3 ASP A 32 -7.483 -44.765 -23.749 1.00 2.53 H new ATOM 471 N ASN A 33 -5.635 -42.766 -22.679 1.00 43.22 N ATOM 472 CA ASN A 33 -4.334 -42.134 -22.906 1.00 4.32 C ATOM 473 C ASN A 33 -3.750 -41.594 -21.600 1.00 12.24 C ATOM 474 O ASN A 33 -2.662 -41.986 -21.173 1.00 43.20 O ATOM 475 CB ASN A 33 -4.481 -40.980 -23.914 1.00 4.00 C ATOM 476 CG ASN A 33 -3.199 -40.176 -24.085 1.00 1.45 C ATOM 477 OD1 ASN A 33 -2.951 -39.214 -23.356 1.00 34.52 O ATOM 478 ND2 ASN A 33 -2.382 -40.560 -25.049 1.00 23.04 N ATOM 0 H ASN A 33 -6.377 -42.416 -23.285 1.00 43.22 H new ATOM 0 HA ASN A 33 -3.656 -42.889 -23.305 1.00 4.32 H new ATOM 0 HB2 ASN A 33 -4.782 -41.384 -24.880 1.00 4.00 H new ATOM 0 HB3 ASN A 33 -5.279 -40.315 -23.584 1.00 4.00 H new ATOM 0 HD21 ASN A 33 -1.511 -40.055 -25.211 1.00 23.04 H new ATOM 0 HD22 ASN A 33 -2.622 -41.362 -25.632 1.00 23.04 H new ATOM 485 N LYS A 34 -4.509 -40.719 -20.957 1.00 32.10 N ATOM 486 CA LYS A 34 -4.038 -40.005 -19.778 1.00 63.34 C ATOM 487 C LYS A 34 -3.920 -40.934 -18.572 1.00 13.43 C ATOM 488 O LYS A 34 -2.972 -40.828 -17.792 1.00 20.22 O ATOM 489 CB LYS A 34 -4.969 -38.823 -19.483 1.00 42.13 C ATOM 490 CG LYS A 34 -4.947 -37.750 -20.573 1.00 54.23 C ATOM 491 CD LYS A 34 -3.578 -37.078 -20.668 1.00 2.25 C ATOM 492 CE LYS A 34 -3.500 -36.079 -21.817 1.00 10.31 C ATOM 493 NZ LYS A 34 -3.596 -36.740 -23.148 1.00 61.25 N1+ ATOM 0 H LYS A 34 -5.462 -40.485 -21.235 1.00 32.10 H new ATOM 0 HA LYS A 34 -3.038 -39.621 -19.980 1.00 63.34 H new ATOM 0 HB2 LYS A 34 -5.988 -39.192 -19.366 1.00 42.13 H new ATOM 0 HB3 LYS A 34 -4.683 -38.372 -18.533 1.00 42.13 H new ATOM 0 HG2 LYS A 34 -5.200 -38.200 -21.533 1.00 54.23 H new ATOM 0 HG3 LYS A 34 -5.708 -36.999 -20.362 1.00 54.23 H new ATOM 0 HD2 LYS A 34 -3.361 -36.567 -19.730 1.00 2.25 H new ATOM 0 HD3 LYS A 34 -2.810 -37.840 -20.800 1.00 2.25 H new ATOM 0 HE2 LYS A 34 -4.304 -35.350 -21.717 1.00 10.31 H new ATOM 0 HE3 LYS A 34 -2.561 -35.529 -21.754 1.00 10.31 H new ATOM 0 HZ1 LYS A 34 -3.370 -36.052 -23.894 1.00 61.25 H new ATOM 0 HZ2 LYS A 34 -2.923 -37.532 -23.192 1.00 61.25 H new ATOM 0 HZ3 LYS A 34 -4.562 -37.099 -23.289 1.00 61.25 H new ATOM 507 N VAL A 35 -4.863 -41.863 -18.435 1.00 1.14 N ATOM 508 CA VAL A 35 -4.839 -42.811 -17.327 1.00 22.00 C ATOM 509 C VAL A 35 -3.623 -43.744 -17.429 1.00 74.14 C ATOM 510 O VAL A 35 -2.998 -44.076 -16.417 1.00 12.35 O ATOM 511 CB VAL A 35 -6.151 -43.638 -17.251 1.00 71.34 C ATOM 512 CG1 VAL A 35 -6.043 -44.743 -16.202 1.00 55.41 C ATOM 513 CG2 VAL A 35 -7.335 -42.720 -16.944 1.00 4.12 C ATOM 0 H VAL A 35 -5.649 -41.978 -19.075 1.00 1.14 H new ATOM 0 HA VAL A 35 -4.756 -42.231 -16.408 1.00 22.00 H new ATOM 0 HB VAL A 35 -6.314 -44.111 -18.219 1.00 71.34 H new ATOM 0 HG11 VAL A 35 -6.975 -45.306 -16.170 1.00 55.41 H new ATOM 0 HG12 VAL A 35 -5.223 -45.413 -16.462 1.00 55.41 H new ATOM 0 HG13 VAL A 35 -5.853 -44.299 -15.225 1.00 55.41 H new ATOM 0 HG21 VAL A 35 -8.250 -43.311 -16.893 1.00 4.12 H new ATOM 0 HG22 VAL A 35 -7.171 -42.222 -15.988 1.00 4.12 H new ATOM 0 HG23 VAL A 35 -7.429 -41.972 -17.731 1.00 4.12 H new ATOM 523 N THR A 36 -3.274 -44.145 -18.650 1.00 14.23 N ATOM 524 CA THR A 36 -2.118 -45.015 -18.864 1.00 5.43 C ATOM 525 C THR A 36 -0.822 -44.203 -18.910 1.00 53.41 C ATOM 526 O THR A 36 0.259 -44.730 -18.654 1.00 51.32 O ATOM 527 CB THR A 36 -2.261 -45.854 -20.161 1.00 11.34 C ATOM 528 OG1 THR A 36 -2.457 -44.996 -21.294 1.00 35.24 O ATOM 529 CG2 THR A 36 -3.426 -46.833 -20.055 1.00 31.14 C ATOM 0 H THR A 36 -3.771 -43.884 -19.501 1.00 14.23 H new ATOM 0 HA THR A 36 -2.076 -45.702 -18.019 1.00 5.43 H new ATOM 0 HB THR A 36 -1.339 -46.421 -20.293 1.00 11.34 H new ATOM 0 HG1 THR A 36 -3.362 -44.621 -21.267 1.00 35.24 H new ATOM 0 HG21 THR A 36 -3.503 -47.408 -20.978 1.00 31.14 H new ATOM 0 HG22 THR A 36 -3.257 -47.511 -19.218 1.00 31.14 H new ATOM 0 HG23 THR A 36 -4.352 -46.281 -19.893 1.00 31.14 H new ATOM 537 N SER A 37 -0.944 -42.910 -19.220 1.00 74.54 N ATOM 538 CA SER A 37 0.209 -42.012 -19.287 1.00 42.32 C ATOM 539 C SER A 37 0.873 -41.837 -17.914 1.00 73.45 C ATOM 540 O SER A 37 1.910 -41.184 -17.802 1.00 65.42 O ATOM 541 CB SER A 37 -0.218 -40.649 -19.849 1.00 1.24 C ATOM 542 OG SER A 37 0.898 -39.796 -20.065 1.00 11.40 O ATOM 0 H SER A 37 -1.835 -42.461 -19.429 1.00 74.54 H new ATOM 0 HA SER A 37 0.945 -42.463 -19.953 1.00 42.32 H new ATOM 0 HB2 SER A 37 -0.752 -40.794 -20.788 1.00 1.24 H new ATOM 0 HB3 SER A 37 -0.912 -40.172 -19.157 1.00 1.24 H new ATOM 0 HG SER A 37 1.598 -40.001 -19.410 1.00 11.40 H new ATOM 548 N CYS A 38 0.272 -42.412 -16.876 1.00 31.04 N ATOM 549 CA CYS A 38 0.850 -42.383 -15.537 1.00 10.42 C ATOM 550 C CYS A 38 2.192 -43.114 -15.517 1.00 51.55 C ATOM 551 O CYS A 38 2.237 -44.343 -15.600 1.00 23.12 O ATOM 552 CB CYS A 38 -0.110 -43.031 -14.541 1.00 55.23 C ATOM 553 SG CYS A 38 -1.722 -42.227 -14.443 1.00 22.33 S ATOM 0 H CYS A 38 -0.619 -42.905 -16.938 1.00 31.04 H new ATOM 0 HA CYS A 38 1.015 -41.344 -15.252 1.00 10.42 H new ATOM 0 HB2 CYS A 38 -0.253 -44.076 -14.817 1.00 55.23 H new ATOM 0 HB3 CYS A 38 0.349 -43.023 -13.552 1.00 55.23 H new ATOM 0 HG CYS A 38 -2.533 -42.775 -15.298 1.00 22.33 H new ATOM 559 N ASN A 39 3.278 -42.350 -15.428 1.00 72.42 N ATOM 560 CA ASN A 39 4.627 -42.916 -15.406 1.00 15.33 C ATOM 561 C ASN A 39 4.824 -43.836 -14.197 1.00 11.44 C ATOM 562 O ASN A 39 4.949 -45.052 -14.352 1.00 34.54 O ATOM 563 CB ASN A 39 5.686 -41.800 -15.406 1.00 42.12 C ATOM 564 CG ASN A 39 5.707 -40.995 -16.700 1.00 14.24 C ATOM 565 OD1 ASN A 39 4.685 -40.840 -17.369 1.00 23.53 O ATOM 566 ND2 ASN A 39 6.870 -40.469 -17.058 1.00 10.15 N ATOM 0 H ASN A 39 3.251 -41.332 -15.370 1.00 72.42 H new ATOM 0 HA ASN A 39 4.750 -43.513 -16.310 1.00 15.33 H new ATOM 0 HB2 ASN A 39 5.496 -41.127 -14.570 1.00 42.12 H new ATOM 0 HB3 ASN A 39 6.670 -42.241 -15.243 1.00 42.12 H new ATOM 0 HD21 ASN A 39 6.938 -39.915 -17.912 1.00 10.15 H new ATOM 0 HD22 ASN A 39 7.697 -40.618 -16.479 1.00 10.15 H new ATOM 573 N ASP A 40 4.839 -43.261 -12.991 1.00 2.41 N ATOM 574 CA ASP A 40 5.053 -44.048 -11.770 1.00 42.21 C ATOM 575 C ASP A 40 4.284 -43.469 -10.589 1.00 11.11 C ATOM 576 O ASP A 40 4.367 -42.274 -10.312 1.00 52.12 O ATOM 577 CB ASP A 40 6.547 -44.119 -11.409 1.00 54.20 C ATOM 578 CG ASP A 40 7.347 -44.998 -12.356 1.00 63.42 C ATOM 579 OD1 ASP A 40 7.183 -46.236 -12.307 1.00 24.22 O ATOM 580 OD2 ASP A 40 8.162 -44.459 -13.137 1.00 1.42 O1- ATOM 0 H ASP A 40 4.707 -42.262 -12.833 1.00 2.41 H new ATOM 0 HA ASP A 40 4.683 -45.052 -11.976 1.00 42.21 H new ATOM 0 HB2 ASP A 40 6.965 -43.112 -11.417 1.00 54.20 H new ATOM 0 HB3 ASP A 40 6.652 -44.500 -10.393 1.00 54.20 H new ATOM 585 N ASN A 41 3.526 -44.338 -9.914 1.00 20.22 N ATOM 586 CA ASN A 41 2.848 -44.017 -8.652 1.00 43.41 C ATOM 587 C ASN A 41 1.956 -42.773 -8.777 1.00 72.45 C ATOM 588 O ASN A 41 1.657 -42.106 -7.783 1.00 25.45 O ATOM 589 CB ASN A 41 3.890 -43.822 -7.530 1.00 53.22 C ATOM 590 CG ASN A 41 3.311 -44.050 -6.140 1.00 43.00 C ATOM 591 OD1 ASN A 41 2.712 -43.024 -5.562 1.00 12.13 O flip ATOM 592 ND2 ASN A 41 3.391 -45.151 -5.595 1.00 51.54 N flip ATOM 0 H ASN A 41 3.363 -45.294 -10.230 1.00 20.22 H new ATOM 0 HA ASN A 41 2.198 -44.856 -8.402 1.00 43.41 H new ATOM 0 HB2 ASN A 41 4.721 -44.509 -7.689 1.00 53.22 H new ATOM 0 HB3 ASN A 41 4.295 -42.812 -7.588 1.00 53.22 H new ATOM 0 HD21 ASN A 41 3.861 -45.922 -6.070 1.00 51.54 H new ATOM 0 HD22 ASN A 41 2.988 -45.292 -4.669 1.00 51.54 H new ATOM 599 N ILE A 42 1.514 -42.477 -9.997 1.00 4.44 N ATOM 600 CA ILE A 42 0.649 -41.326 -10.238 1.00 53.42 C ATOM 601 C ILE A 42 -0.789 -41.651 -9.835 1.00 61.41 C ATOM 602 O ILE A 42 -1.430 -42.516 -10.437 1.00 70.51 O ATOM 603 CB ILE A 42 0.681 -40.879 -11.721 1.00 60.24 C ATOM 604 CG1 ILE A 42 2.120 -40.532 -12.148 1.00 24.42 C ATOM 605 CG2 ILE A 42 -0.256 -39.688 -11.950 1.00 31.35 C ATOM 606 CD1 ILE A 42 2.736 -39.378 -11.379 1.00 11.11 C ATOM 0 H ILE A 42 1.740 -43.017 -10.832 1.00 4.44 H new ATOM 0 HA ILE A 42 1.027 -40.505 -9.629 1.00 53.42 H new ATOM 0 HB ILE A 42 0.331 -41.707 -12.337 1.00 60.24 H new ATOM 0 HG12 ILE A 42 2.747 -41.414 -12.021 1.00 24.42 H new ATOM 0 HG13 ILE A 42 2.123 -40.289 -13.210 1.00 24.42 H new ATOM 0 HG21 ILE A 42 -0.217 -39.391 -12.998 1.00 31.35 H new ATOM 0 HG22 ILE A 42 -1.276 -39.972 -11.691 1.00 31.35 H new ATOM 0 HG23 ILE A 42 0.058 -38.852 -11.324 1.00 31.35 H new ATOM 0 HD11 ILE A 42 3.748 -39.199 -11.741 1.00 11.11 H new ATOM 0 HD12 ILE A 42 2.134 -38.481 -11.525 1.00 11.11 H new ATOM 0 HD13 ILE A 42 2.768 -39.624 -10.318 1.00 11.11 H new ATOM 618 N LEU A 43 -1.269 -40.971 -8.800 1.00 61.41 N ATOM 619 CA LEU A 43 -2.626 -41.153 -8.299 1.00 72.33 C ATOM 620 C LEU A 43 -3.571 -40.183 -9.013 1.00 70.42 C ATOM 621 O LEU A 43 -3.474 -38.957 -8.861 1.00 24.44 O ATOM 622 CB LEU A 43 -2.648 -40.953 -6.765 1.00 53.01 C ATOM 623 CG LEU A 43 -3.936 -41.379 -6.015 1.00 15.11 C ATOM 624 CD1 LEU A 43 -4.972 -40.260 -5.994 1.00 20.34 C ATOM 625 CD2 LEU A 43 -4.529 -42.646 -6.630 1.00 60.11 C ATOM 0 H LEU A 43 -0.728 -40.277 -8.284 1.00 61.41 H new ATOM 0 HA LEU A 43 -2.968 -42.167 -8.506 1.00 72.33 H new ATOM 0 HB2 LEU A 43 -1.811 -41.506 -6.340 1.00 53.01 H new ATOM 0 HB3 LEU A 43 -2.470 -39.898 -6.559 1.00 53.01 H new ATOM 0 HG LEU A 43 -3.656 -41.591 -4.983 1.00 15.11 H new ATOM 0 HD11 LEU A 43 -5.860 -40.597 -5.460 1.00 20.34 H new ATOM 0 HD12 LEU A 43 -4.555 -39.387 -5.491 1.00 20.34 H new ATOM 0 HD13 LEU A 43 -5.242 -39.995 -7.016 1.00 20.34 H new ATOM 0 HD21 LEU A 43 -5.432 -42.926 -6.087 1.00 60.11 H new ATOM 0 HD22 LEU A 43 -4.776 -42.462 -7.675 1.00 60.11 H new ATOM 0 HD23 LEU A 43 -3.802 -43.456 -6.567 1.00 60.11 H new ATOM 637 N ILE A 44 -4.461 -40.744 -9.823 1.00 53.43 N ATOM 638 CA ILE A 44 -5.431 -39.966 -10.582 1.00 3.43 C ATOM 639 C ILE A 44 -6.807 -40.013 -9.922 1.00 52.32 C ATOM 640 O ILE A 44 -7.261 -41.077 -9.502 1.00 63.21 O ATOM 641 CB ILE A 44 -5.554 -40.481 -12.041 1.00 54.14 C ATOM 642 CG1 ILE A 44 -4.268 -40.184 -12.831 1.00 72.45 C ATOM 643 CG2 ILE A 44 -6.780 -39.878 -12.735 1.00 35.25 C ATOM 644 CD1 ILE A 44 -4.325 -40.628 -14.279 1.00 52.24 C ATOM 0 H ILE A 44 -4.530 -41.751 -9.972 1.00 53.43 H new ATOM 0 HA ILE A 44 -5.070 -38.938 -10.597 1.00 3.43 H new ATOM 0 HB ILE A 44 -5.690 -41.562 -12.010 1.00 54.14 H new ATOM 0 HG12 ILE A 44 -4.070 -39.113 -12.796 1.00 72.45 H new ATOM 0 HG13 ILE A 44 -3.429 -40.679 -12.341 1.00 72.45 H new ATOM 0 HG21 ILE A 44 -6.843 -40.255 -13.756 1.00 35.25 H new ATOM 0 HG22 ILE A 44 -7.681 -40.157 -12.189 1.00 35.25 H new ATOM 0 HG23 ILE A 44 -6.690 -38.792 -12.755 1.00 35.25 H new ATOM 0 HD11 ILE A 44 -3.383 -40.385 -14.771 1.00 52.24 H new ATOM 0 HD12 ILE A 44 -4.491 -41.704 -14.323 1.00 52.24 H new ATOM 0 HD13 ILE A 44 -5.142 -40.114 -14.785 1.00 52.24 H new ATOM 656 N LEU A 45 -7.452 -38.853 -9.831 1.00 65.44 N ATOM 657 CA LEU A 45 -8.835 -38.758 -9.371 1.00 1.02 C ATOM 658 C LEU A 45 -9.715 -38.352 -10.545 1.00 41.11 C ATOM 659 O LEU A 45 -9.533 -37.277 -11.107 1.00 73.21 O ATOM 660 CB LEU A 45 -8.994 -37.720 -8.244 1.00 45.12 C ATOM 661 CG LEU A 45 -8.171 -37.964 -6.969 1.00 11.25 C ATOM 662 CD1 LEU A 45 -6.702 -37.619 -7.191 1.00 71.43 C ATOM 663 CD2 LEU A 45 -8.744 -37.164 -5.801 1.00 43.24 C ATOM 0 H LEU A 45 -7.033 -37.955 -10.073 1.00 65.44 H new ATOM 0 HA LEU A 45 -9.130 -39.731 -8.977 1.00 1.02 H new ATOM 0 HB2 LEU A 45 -8.726 -36.741 -8.641 1.00 45.12 H new ATOM 0 HB3 LEU A 45 -10.047 -37.675 -7.967 1.00 45.12 H new ATOM 0 HG LEU A 45 -8.232 -39.024 -6.724 1.00 11.25 H new ATOM 0 HD11 LEU A 45 -6.143 -37.801 -6.273 1.00 71.43 H new ATOM 0 HD12 LEU A 45 -6.299 -38.241 -7.991 1.00 71.43 H new ATOM 0 HD13 LEU A 45 -6.613 -36.569 -7.468 1.00 71.43 H new ATOM 0 HD21 LEU A 45 -8.149 -37.349 -4.907 1.00 43.24 H new ATOM 0 HD22 LEU A 45 -8.718 -36.101 -6.041 1.00 43.24 H new ATOM 0 HD23 LEU A 45 -9.774 -37.470 -5.621 1.00 43.24 H new ATOM 675 N VAL A 46 -10.643 -39.209 -10.935 1.00 52.30 N ATOM 676 CA VAL A 46 -11.561 -38.891 -12.020 1.00 52.42 C ATOM 677 C VAL A 46 -12.894 -38.422 -11.453 1.00 21.23 C ATOM 678 O VAL A 46 -13.674 -39.226 -10.932 1.00 14.33 O ATOM 679 CB VAL A 46 -11.787 -40.102 -12.959 1.00 13.25 C ATOM 680 CG1 VAL A 46 -12.739 -39.738 -14.099 1.00 25.32 C ATOM 681 CG2 VAL A 46 -10.455 -40.607 -13.513 1.00 72.45 C ATOM 0 H VAL A 46 -10.782 -40.130 -10.518 1.00 52.30 H new ATOM 0 HA VAL A 46 -11.110 -38.093 -12.610 1.00 52.42 H new ATOM 0 HB VAL A 46 -12.245 -40.902 -12.377 1.00 13.25 H new ATOM 0 HG11 VAL A 46 -12.882 -40.605 -14.745 1.00 25.32 H new ATOM 0 HG12 VAL A 46 -13.700 -39.431 -13.686 1.00 25.32 H new ATOM 0 HG13 VAL A 46 -12.315 -38.919 -14.680 1.00 25.32 H new ATOM 0 HG21 VAL A 46 -10.634 -41.458 -14.170 1.00 72.45 H new ATOM 0 HG22 VAL A 46 -9.969 -39.810 -14.075 1.00 72.45 H new ATOM 0 HG23 VAL A 46 -9.811 -40.914 -12.689 1.00 72.45 H new ATOM 691 N ASP A 47 -13.128 -37.117 -11.529 1.00 11.12 N ATOM 692 CA ASP A 47 -14.375 -36.516 -11.061 1.00 51.13 C ATOM 693 C ASP A 47 -15.509 -36.748 -12.053 1.00 54.22 C ATOM 694 O ASP A 47 -15.308 -36.686 -13.272 1.00 62.13 O ATOM 695 CB ASP A 47 -14.190 -35.006 -10.831 1.00 0.54 C ATOM 696 CG ASP A 47 -15.520 -34.266 -10.692 1.00 13.50 C ATOM 697 OD1 ASP A 47 -15.849 -33.451 -11.585 1.00 30.41 O ATOM 698 OD2 ASP A 47 -16.244 -34.520 -9.702 1.00 0.25 O1- ATOM 0 H ASP A 47 -12.463 -36.447 -11.915 1.00 11.12 H new ATOM 0 HA ASP A 47 -14.639 -36.996 -10.118 1.00 51.13 H new ATOM 0 HB2 ASP A 47 -13.595 -34.849 -9.931 1.00 0.54 H new ATOM 0 HB3 ASP A 47 -13.627 -34.582 -11.663 1.00 0.54 H new ATOM 703 N PHE A 48 -16.690 -37.041 -11.521 1.00 33.43 N ATOM 704 CA PHE A 48 -17.905 -37.094 -12.324 1.00 51.34 C ATOM 705 C PHE A 48 -18.765 -35.873 -11.991 1.00 61.52 C ATOM 706 O PHE A 48 -19.620 -35.920 -11.101 1.00 13.11 O ATOM 707 CB PHE A 48 -18.678 -38.400 -12.076 1.00 65.22 C ATOM 708 CG PHE A 48 -19.592 -38.782 -13.217 1.00 13.55 C ATOM 709 CD1 PHE A 48 -19.171 -39.683 -14.189 1.00 62.52 C ATOM 710 CD2 PHE A 48 -20.864 -38.235 -13.326 1.00 12.32 C ATOM 711 CE1 PHE A 48 -19.999 -40.027 -15.242 1.00 14.23 C ATOM 712 CE2 PHE A 48 -21.694 -38.579 -14.378 1.00 3.03 C ATOM 713 CZ PHE A 48 -21.261 -39.475 -15.337 1.00 0.02 C ATOM 0 H PHE A 48 -16.832 -37.246 -10.532 1.00 33.43 H new ATOM 0 HA PHE A 48 -17.642 -37.077 -13.382 1.00 51.34 H new ATOM 0 HB2 PHE A 48 -17.966 -39.208 -11.904 1.00 65.22 H new ATOM 0 HB3 PHE A 48 -19.269 -38.297 -11.166 1.00 65.22 H new ATOM 0 HD1 PHE A 48 -18.185 -40.119 -14.121 1.00 62.52 H new ATOM 0 HD2 PHE A 48 -21.209 -37.533 -12.581 1.00 12.32 H new ATOM 0 HE1 PHE A 48 -19.658 -40.728 -15.990 1.00 14.23 H new ATOM 0 HE2 PHE A 48 -22.681 -38.147 -14.450 1.00 3.03 H new ATOM 0 HZ PHE A 48 -21.908 -39.743 -16.159 1.00 0.02 H new ATOM 723 N TRP A 49 -18.486 -34.785 -12.706 1.00 62.40 N ATOM 724 CA TRP A 49 -19.085 -33.468 -12.477 1.00 3.51 C ATOM 725 C TRP A 49 -20.595 -33.534 -12.219 1.00 41.31 C ATOM 726 O TRP A 49 -21.344 -34.159 -12.973 1.00 63.54 O ATOM 727 CB TRP A 49 -18.802 -32.580 -13.699 1.00 40.21 C ATOM 728 CG TRP A 49 -19.205 -31.140 -13.541 1.00 42.53 C ATOM 729 CD1 TRP A 49 -20.461 -30.613 -13.664 1.00 65.23 C ATOM 730 CD2 TRP A 49 -18.336 -30.038 -13.255 1.00 72.13 C ATOM 731 NE1 TRP A 49 -20.424 -29.256 -13.464 1.00 33.30 N ATOM 732 CE2 TRP A 49 -19.133 -28.880 -13.211 1.00 34.35 C ATOM 733 CE3 TRP A 49 -16.961 -29.918 -13.027 1.00 22.14 C ATOM 734 CZ2 TRP A 49 -18.604 -27.622 -12.950 1.00 54.21 C ATOM 735 CZ3 TRP A 49 -16.436 -28.667 -12.768 1.00 74.34 C ATOM 736 CH2 TRP A 49 -17.257 -27.533 -12.734 1.00 43.42 C ATOM 0 H TRP A 49 -17.821 -34.793 -13.480 1.00 62.40 H new ATOM 0 HA TRP A 49 -18.635 -33.049 -11.577 1.00 3.51 H new ATOM 0 HB2 TRP A 49 -17.736 -32.622 -13.921 1.00 40.21 H new ATOM 0 HB3 TRP A 49 -19.324 -32.996 -14.561 1.00 40.21 H new ATOM 0 HD1 TRP A 49 -21.352 -31.182 -13.886 1.00 65.23 H new ATOM 0 HE1 TRP A 49 -21.228 -28.629 -13.498 1.00 33.30 H new ATOM 0 HE3 TRP A 49 -16.321 -30.788 -13.053 1.00 22.14 H new ATOM 0 HZ2 TRP A 49 -19.234 -26.746 -12.919 1.00 54.21 H new ATOM 0 HZ3 TRP A 49 -15.376 -28.562 -12.589 1.00 74.34 H new ATOM 0 HH2 TRP A 49 -16.817 -26.568 -12.533 1.00 43.42 H new ATOM 747 N ALA A 50 -21.026 -32.870 -11.149 1.00 41.34 N ATOM 748 CA ALA A 50 -22.442 -32.729 -10.833 1.00 51.22 C ATOM 749 C ALA A 50 -22.886 -31.288 -11.093 1.00 20.23 C ATOM 750 O ALA A 50 -22.571 -30.392 -10.307 1.00 33.32 O ATOM 751 CB ALA A 50 -22.705 -33.114 -9.382 1.00 54.33 C ATOM 0 H ALA A 50 -20.404 -32.416 -10.480 1.00 41.34 H new ATOM 0 HA ALA A 50 -23.017 -33.399 -11.472 1.00 51.22 H new ATOM 0 HB1 ALA A 50 -23.767 -33.003 -9.163 1.00 54.33 H new ATOM 0 HB2 ALA A 50 -22.408 -34.150 -9.221 1.00 54.33 H new ATOM 0 HB3 ALA A 50 -22.129 -32.465 -8.723 1.00 54.33 H new ATOM 757 N PRO A 51 -23.606 -31.041 -12.209 1.00 55.40 N ATOM 758 CA PRO A 51 -24.044 -29.685 -12.593 1.00 12.22 C ATOM 759 C PRO A 51 -24.905 -29.016 -11.518 1.00 34.03 C ATOM 760 O PRO A 51 -24.957 -27.786 -11.426 1.00 2.20 O ATOM 761 CB PRO A 51 -24.867 -29.920 -13.873 1.00 62.34 C ATOM 762 CG PRO A 51 -24.389 -31.233 -14.400 1.00 64.33 C ATOM 763 CD PRO A 51 -24.048 -32.055 -13.188 1.00 24.12 C ATOM 0 HA PRO A 51 -23.197 -29.013 -12.732 1.00 12.22 H new ATOM 0 HB2 PRO A 51 -25.935 -29.946 -13.657 1.00 62.34 H new ATOM 0 HB3 PRO A 51 -24.708 -29.122 -14.598 1.00 62.34 H new ATOM 0 HG2 PRO A 51 -25.159 -31.719 -14.999 1.00 64.33 H new ATOM 0 HG3 PRO A 51 -23.519 -31.104 -15.044 1.00 64.33 H new ATOM 0 HD2 PRO A 51 -24.910 -32.616 -12.826 1.00 24.12 H new ATOM 0 HD3 PRO A 51 -23.262 -32.780 -13.401 1.00 24.12 H new ATOM 771 N TRP A 52 -25.575 -29.832 -10.711 1.00 52.31 N ATOM 772 CA TRP A 52 -26.473 -29.333 -9.673 1.00 61.04 C ATOM 773 C TRP A 52 -26.026 -29.830 -8.298 1.00 61.45 C ATOM 774 O TRP A 52 -26.200 -31.010 -7.972 1.00 73.15 O ATOM 775 CB TRP A 52 -27.914 -29.785 -9.951 1.00 34.34 C ATOM 776 CG TRP A 52 -28.411 -29.422 -11.323 1.00 2.33 C ATOM 777 CD1 TRP A 52 -28.887 -28.208 -11.733 1.00 55.55 C ATOM 778 CD2 TRP A 52 -28.481 -30.285 -12.463 1.00 2.31 C ATOM 779 NE1 TRP A 52 -29.250 -28.267 -13.056 1.00 21.24 N ATOM 780 CE2 TRP A 52 -29.007 -29.531 -13.530 1.00 34.23 C ATOM 781 CE3 TRP A 52 -28.145 -31.624 -12.687 1.00 4.45 C ATOM 782 CZ2 TRP A 52 -29.206 -30.071 -14.797 1.00 10.31 C ATOM 783 CZ3 TRP A 52 -28.343 -32.159 -13.944 1.00 4.30 C ATOM 784 CH2 TRP A 52 -28.868 -31.385 -14.986 1.00 60.21 C ATOM 0 H TRP A 52 -25.513 -30.849 -10.756 1.00 52.31 H new ATOM 0 HA TRP A 52 -26.438 -28.244 -9.682 1.00 61.04 H new ATOM 0 HB2 TRP A 52 -27.976 -30.866 -9.827 1.00 34.34 H new ATOM 0 HB3 TRP A 52 -28.574 -29.340 -9.206 1.00 34.34 H new ATOM 0 HD1 TRP A 52 -28.966 -27.331 -11.108 1.00 55.55 H new ATOM 0 HE1 TRP A 52 -29.638 -27.495 -13.599 1.00 21.24 H new ATOM 0 HE3 TRP A 52 -27.738 -32.229 -11.890 1.00 4.45 H new ATOM 0 HZ2 TRP A 52 -29.612 -29.476 -15.602 1.00 10.31 H new ATOM 0 HZ3 TRP A 52 -28.089 -33.193 -14.127 1.00 4.30 H new ATOM 0 HH2 TRP A 52 -29.009 -31.833 -15.958 1.00 60.21 H new ATOM 795 N CYS A 53 -25.436 -28.938 -7.507 1.00 50.22 N ATOM 796 CA CYS A 53 -25.002 -29.266 -6.149 1.00 20.35 C ATOM 797 C CYS A 53 -24.493 -28.016 -5.432 1.00 44.23 C ATOM 798 O CYS A 53 -23.925 -27.117 -6.057 1.00 40.01 O ATOM 799 CB CYS A 53 -23.908 -30.341 -6.161 1.00 43.12 C ATOM 800 SG CYS A 53 -23.393 -30.886 -4.497 1.00 63.30 S ATOM 0 H CYS A 53 -25.246 -27.975 -7.784 1.00 50.22 H new ATOM 0 HA CYS A 53 -25.865 -29.659 -5.611 1.00 20.35 H new ATOM 0 HB2 CYS A 53 -24.266 -31.205 -6.721 1.00 43.12 H new ATOM 0 HB3 CYS A 53 -23.038 -29.955 -6.692 1.00 43.12 H new ATOM 805 N GLY A 54 -24.710 -27.961 -4.120 1.00 43.40 N ATOM 806 CA GLY A 54 -24.279 -26.819 -3.328 1.00 13.40 C ATOM 807 C GLY A 54 -22.858 -26.967 -2.803 1.00 4.44 C ATOM 808 O GLY A 54 -21.965 -26.228 -3.220 1.00 31.03 O ATOM 0 H GLY A 54 -25.180 -28.693 -3.587 1.00 43.40 H new ATOM 0 HA2 GLY A 54 -24.345 -25.916 -3.935 1.00 13.40 H new ATOM 0 HA3 GLY A 54 -24.960 -26.688 -2.487 1.00 13.40 H new ATOM 812 N PRO A 55 -22.609 -27.926 -1.889 1.00 11.55 N ATOM 813 CA PRO A 55 -21.282 -28.110 -1.272 1.00 25.30 C ATOM 814 C PRO A 55 -20.221 -28.531 -2.291 1.00 32.04 C ATOM 815 O PRO A 55 -19.037 -28.222 -2.133 1.00 53.41 O ATOM 816 CB PRO A 55 -21.517 -29.226 -0.239 1.00 54.22 C ATOM 817 CG PRO A 55 -22.720 -29.952 -0.740 1.00 31.01 C ATOM 818 CD PRO A 55 -23.589 -28.904 -1.380 1.00 51.53 C ATOM 0 HA PRO A 55 -20.903 -27.186 -0.836 1.00 25.30 H new ATOM 0 HB2 PRO A 55 -20.655 -29.889 -0.168 1.00 54.22 H new ATOM 0 HB3 PRO A 55 -21.687 -28.816 0.757 1.00 54.22 H new ATOM 0 HG2 PRO A 55 -22.441 -30.722 -1.459 1.00 31.01 H new ATOM 0 HG3 PRO A 55 -23.244 -30.451 0.075 1.00 31.01 H new ATOM 0 HD2 PRO A 55 -24.198 -29.320 -2.182 1.00 51.53 H new ATOM 0 HD3 PRO A 55 -24.273 -28.453 -0.661 1.00 51.53 H new ATOM 826 N CYS A 56 -20.660 -29.221 -3.342 1.00 70.12 N ATOM 827 CA CYS A 56 -19.753 -29.735 -4.369 1.00 20.13 C ATOM 828 C CYS A 56 -18.922 -28.610 -4.984 1.00 71.35 C ATOM 829 O CYS A 56 -17.767 -28.816 -5.351 1.00 52.03 O ATOM 830 CB CYS A 56 -20.545 -30.467 -5.453 1.00 24.21 C ATOM 831 SG CYS A 56 -21.608 -31.798 -4.805 1.00 62.21 S ATOM 0 H CYS A 56 -21.643 -29.438 -3.506 1.00 70.12 H new ATOM 0 HA CYS A 56 -19.067 -30.438 -3.896 1.00 20.13 H new ATOM 0 HB2 CYS A 56 -21.164 -29.747 -5.988 1.00 24.21 H new ATOM 0 HB3 CYS A 56 -19.849 -30.889 -6.178 1.00 24.21 H new ATOM 836 N ARG A 57 -19.512 -27.415 -5.053 1.00 42.14 N ATOM 837 CA ARG A 57 -18.828 -26.238 -5.592 1.00 30.24 C ATOM 838 C ARG A 57 -17.520 -26.028 -4.867 1.00 54.23 C ATOM 839 O ARG A 57 -16.454 -26.064 -5.458 1.00 53.21 O ATOM 840 CB ARG A 57 -19.695 -24.992 -5.403 1.00 42.45 C ATOM 841 CG ARG A 57 -21.106 -25.158 -5.922 1.00 14.45 C ATOM 842 CD ARG A 57 -21.242 -24.784 -7.387 1.00 71.53 C ATOM 843 NE ARG A 57 -20.245 -25.405 -8.271 1.00 20.02 N ATOM 844 CZ ARG A 57 -20.155 -25.154 -9.582 1.00 74.44 C ATOM 845 NH1 ARG A 57 -21.051 -24.371 -10.176 1.00 35.42 N1+ ATOM 846 NH2 ARG A 57 -19.183 -25.696 -10.300 1.00 33.01 N ATOM 0 H ARG A 57 -20.466 -27.237 -4.741 1.00 42.14 H new ATOM 0 HA ARG A 57 -18.645 -26.402 -6.654 1.00 30.24 H new ATOM 0 HB2 ARG A 57 -19.733 -24.742 -4.343 1.00 42.45 H new ATOM 0 HB3 ARG A 57 -19.225 -24.151 -5.912 1.00 42.45 H new ATOM 0 HG2 ARG A 57 -21.419 -26.193 -5.785 1.00 14.45 H new ATOM 0 HG3 ARG A 57 -21.781 -24.540 -5.330 1.00 14.45 H new ATOM 0 HD2 ARG A 57 -22.238 -25.065 -7.730 1.00 71.53 H new ATOM 0 HD3 ARG A 57 -21.167 -23.701 -7.481 1.00 71.53 H new ATOM 0 HE ARG A 57 -19.584 -26.065 -7.861 1.00 20.02 H new ATOM 0 HH11 ARG A 57 -21.810 -23.960 -9.632 1.00 35.42 H new ATOM 0 HH12 ARG A 57 -20.980 -24.182 -11.176 1.00 35.42 H new ATOM 0 HH21 ARG A 57 -18.499 -26.307 -9.854 1.00 33.01 H new ATOM 0 HH22 ARG A 57 -19.118 -25.502 -11.299 1.00 33.01 H new ATOM 860 N SER A 58 -17.642 -25.817 -3.572 1.00 22.42 N ATOM 861 CA SER A 58 -16.485 -25.644 -2.690 1.00 70.35 C ATOM 862 C SER A 58 -15.511 -26.831 -2.790 1.00 50.02 C ATOM 863 O SER A 58 -14.279 -26.655 -2.760 1.00 63.20 O ATOM 864 CB SER A 58 -16.954 -25.460 -1.243 1.00 12.11 C ATOM 865 OG SER A 58 -17.809 -24.332 -1.127 1.00 40.31 O ATOM 0 H SER A 58 -18.541 -25.759 -3.093 1.00 22.42 H new ATOM 0 HA SER A 58 -15.948 -24.752 -3.012 1.00 70.35 H new ATOM 0 HB2 SER A 58 -17.479 -26.355 -0.910 1.00 12.11 H new ATOM 0 HB3 SER A 58 -16.090 -25.336 -0.590 1.00 12.11 H new ATOM 0 HG SER A 58 -18.098 -24.235 -0.196 1.00 40.31 H new ATOM 871 N LEU A 59 -16.062 -28.040 -2.916 1.00 35.33 N ATOM 872 CA LEU A 59 -15.241 -29.244 -3.043 1.00 33.30 C ATOM 873 C LEU A 59 -14.307 -29.143 -4.246 1.00 51.22 C ATOM 874 O LEU A 59 -13.179 -29.624 -4.191 1.00 44.13 O ATOM 875 CB LEU A 59 -16.114 -30.511 -3.150 1.00 34.51 C ATOM 876 CG LEU A 59 -16.366 -31.263 -1.829 1.00 64.10 C ATOM 877 CD1 LEU A 59 -15.047 -31.732 -1.216 1.00 21.22 C ATOM 878 CD2 LEU A 59 -17.156 -30.404 -0.843 1.00 63.33 C ATOM 0 H LEU A 59 -17.068 -28.210 -2.933 1.00 35.33 H new ATOM 0 HA LEU A 59 -14.637 -29.323 -2.139 1.00 33.30 H new ATOM 0 HB2 LEU A 59 -17.077 -30.231 -3.577 1.00 34.51 H new ATOM 0 HB3 LEU A 59 -15.641 -31.197 -3.853 1.00 34.51 H new ATOM 0 HG LEU A 59 -16.969 -32.143 -2.053 1.00 64.10 H new ATOM 0 HD11 LEU A 59 -15.247 -32.261 -0.284 1.00 21.22 H new ATOM 0 HD12 LEU A 59 -14.540 -32.401 -1.911 1.00 21.22 H new ATOM 0 HD13 LEU A 59 -14.412 -30.869 -1.015 1.00 21.22 H new ATOM 0 HD21 LEU A 59 -17.317 -30.963 0.079 1.00 63.33 H new ATOM 0 HD22 LEU A 59 -16.596 -29.495 -0.623 1.00 63.33 H new ATOM 0 HD23 LEU A 59 -18.119 -30.140 -1.280 1.00 63.33 H new ATOM 890 N GLU A 60 -14.775 -28.504 -5.315 1.00 25.40 N ATOM 891 CA GLU A 60 -13.984 -28.368 -6.535 1.00 51.24 C ATOM 892 C GLU A 60 -12.619 -27.701 -6.241 1.00 31.13 C ATOM 893 O GLU A 60 -11.584 -28.359 -6.381 1.00 60.23 O ATOM 894 CB GLU A 60 -14.789 -27.619 -7.614 1.00 44.05 C ATOM 895 CG GLU A 60 -16.028 -28.382 -8.087 1.00 51.15 C ATOM 896 CD GLU A 60 -17.040 -27.499 -8.808 1.00 40.34 C ATOM 897 OE1 GLU A 60 -18.238 -27.524 -8.438 1.00 65.12 O ATOM 898 OE2 GLU A 60 -16.655 -26.767 -9.739 1.00 25.24 O1- ATOM 0 H GLU A 60 -15.698 -28.072 -5.361 1.00 25.40 H new ATOM 0 HA GLU A 60 -13.765 -29.361 -6.927 1.00 51.24 H new ATOM 0 HB2 GLU A 60 -15.096 -26.650 -7.220 1.00 44.05 H new ATOM 0 HB3 GLU A 60 -14.142 -27.425 -8.470 1.00 44.05 H new ATOM 0 HG2 GLU A 60 -15.718 -29.187 -8.754 1.00 51.15 H new ATOM 0 HG3 GLU A 60 -16.510 -28.848 -7.227 1.00 51.15 H new ATOM 905 N PRO A 61 -12.568 -26.416 -5.783 1.00 40.44 N ATOM 906 CA PRO A 61 -11.294 -25.762 -5.452 1.00 20.54 C ATOM 907 C PRO A 61 -10.589 -26.434 -4.269 1.00 64.23 C ATOM 908 O PRO A 61 -9.365 -26.339 -4.139 1.00 41.33 O ATOM 909 CB PRO A 61 -11.687 -24.318 -5.107 1.00 61.44 C ATOM 910 CG PRO A 61 -13.126 -24.391 -4.739 1.00 3.54 C ATOM 911 CD PRO A 61 -13.707 -25.500 -5.574 1.00 61.33 C ATOM 0 HA PRO A 61 -10.585 -25.823 -6.278 1.00 20.54 H new ATOM 0 HB2 PRO A 61 -11.087 -23.932 -4.283 1.00 61.44 H new ATOM 0 HB3 PRO A 61 -11.529 -23.652 -5.955 1.00 61.44 H new ATOM 0 HG2 PRO A 61 -13.248 -24.597 -3.676 1.00 3.54 H new ATOM 0 HG3 PRO A 61 -13.629 -23.445 -4.940 1.00 3.54 H new ATOM 0 HD2 PRO A 61 -14.531 -25.997 -5.062 1.00 61.33 H new ATOM 0 HD3 PRO A 61 -14.098 -25.126 -6.520 1.00 61.33 H new ATOM 919 N GLN A 62 -11.354 -27.113 -3.401 1.00 1.31 N ATOM 920 CA GLN A 62 -10.736 -27.888 -2.317 1.00 64.23 C ATOM 921 C GLN A 62 -9.881 -29.016 -2.899 1.00 72.30 C ATOM 922 O GLN A 62 -8.741 -29.239 -2.474 1.00 45.13 O ATOM 923 CB GLN A 62 -11.786 -28.459 -1.349 1.00 52.44 C ATOM 924 CG GLN A 62 -12.470 -27.408 -0.487 1.00 75.21 C ATOM 925 CD GLN A 62 -13.355 -28.015 0.591 1.00 5.22 C ATOM 926 OE1 GLN A 62 -14.609 -28.280 0.259 1.00 5.12 O flip ATOM 927 NE2 GLN A 62 -12.909 -28.262 1.709 1.00 34.41 N flip ATOM 0 H GLN A 62 -12.373 -27.142 -3.426 1.00 1.31 H new ATOM 0 HA GLN A 62 -10.101 -27.211 -1.747 1.00 64.23 H new ATOM 0 HB2 GLN A 62 -12.544 -28.992 -1.924 1.00 52.44 H new ATOM 0 HB3 GLN A 62 -11.306 -29.191 -0.699 1.00 52.44 H new ATOM 0 HG2 GLN A 62 -11.712 -26.780 -0.018 1.00 75.21 H new ATOM 0 HG3 GLN A 62 -13.073 -26.759 -1.123 1.00 75.21 H new ATOM 0 HE21 GLN A 62 -11.937 -28.044 1.930 1.00 34.41 H new ATOM 0 HE22 GLN A 62 -13.510 -28.685 2.416 1.00 34.41 H new ATOM 936 N LEU A 63 -10.427 -29.702 -3.901 1.00 4.32 N ATOM 937 CA LEU A 63 -9.717 -30.785 -4.570 1.00 24.11 C ATOM 938 C LEU A 63 -8.543 -30.229 -5.364 1.00 34.30 C ATOM 939 O LEU A 63 -7.463 -30.823 -5.394 1.00 14.04 O ATOM 940 CB LEU A 63 -10.660 -31.565 -5.498 1.00 72.32 C ATOM 941 CG LEU A 63 -11.815 -32.297 -4.798 1.00 45.24 C ATOM 942 CD1 LEU A 63 -12.668 -33.060 -5.810 1.00 73.33 C ATOM 943 CD2 LEU A 63 -11.282 -33.236 -3.719 1.00 74.14 C ATOM 0 H LEU A 63 -11.362 -29.525 -4.267 1.00 4.32 H new ATOM 0 HA LEU A 63 -9.341 -31.470 -3.810 1.00 24.11 H new ATOM 0 HB2 LEU A 63 -11.080 -30.872 -6.227 1.00 72.32 H new ATOM 0 HB3 LEU A 63 -10.073 -32.296 -6.054 1.00 72.32 H new ATOM 0 HG LEU A 63 -12.449 -31.552 -4.318 1.00 45.24 H new ATOM 0 HD11 LEU A 63 -13.479 -33.570 -5.291 1.00 73.33 H new ATOM 0 HD12 LEU A 63 -13.084 -32.361 -6.535 1.00 73.33 H new ATOM 0 HD13 LEU A 63 -12.050 -33.794 -6.327 1.00 73.33 H new ATOM 0 HD21 LEU A 63 -12.116 -33.745 -3.235 1.00 74.14 H new ATOM 0 HD22 LEU A 63 -10.621 -33.974 -4.173 1.00 74.14 H new ATOM 0 HD23 LEU A 63 -10.728 -32.661 -2.977 1.00 74.14 H new ATOM 955 N GLU A 64 -8.762 -29.082 -6.004 1.00 4.53 N ATOM 956 CA GLU A 64 -7.715 -28.418 -6.769 1.00 14.32 C ATOM 957 C GLU A 64 -6.548 -28.050 -5.859 1.00 63.35 C ATOM 958 O GLU A 64 -5.391 -28.117 -6.268 1.00 10.34 O ATOM 959 CB GLU A 64 -8.262 -27.171 -7.474 1.00 61.33 C ATOM 960 CG GLU A 64 -9.423 -27.472 -8.414 1.00 42.54 C ATOM 961 CD GLU A 64 -9.825 -26.280 -9.265 1.00 13.44 C ATOM 962 OE1 GLU A 64 -10.228 -25.246 -8.697 1.00 52.13 O ATOM 963 OE2 GLU A 64 -9.741 -26.382 -10.507 1.00 65.51 O1- ATOM 0 H GLU A 64 -9.658 -28.594 -6.006 1.00 4.53 H new ATOM 0 HA GLU A 64 -7.357 -29.109 -7.533 1.00 14.32 H new ATOM 0 HB2 GLU A 64 -8.588 -26.451 -6.723 1.00 61.33 H new ATOM 0 HB3 GLU A 64 -7.458 -26.700 -8.040 1.00 61.33 H new ATOM 0 HG2 GLU A 64 -9.149 -28.301 -9.067 1.00 42.54 H new ATOM 0 HG3 GLU A 64 -10.282 -27.799 -7.828 1.00 42.54 H new ATOM 970 N LYS A 65 -6.862 -27.673 -4.621 1.00 0.43 N ATOM 971 CA LYS A 65 -5.840 -27.406 -3.612 1.00 4.21 C ATOM 972 C LYS A 65 -4.991 -28.648 -3.380 1.00 63.22 C ATOM 973 O LYS A 65 -3.761 -28.614 -3.513 1.00 64.34 O ATOM 974 CB LYS A 65 -6.474 -26.987 -2.279 1.00 2.10 C ATOM 975 CG LYS A 65 -5.455 -26.798 -1.154 1.00 73.25 C ATOM 976 CD LYS A 65 -4.651 -25.506 -1.315 1.00 53.43 C ATOM 977 CE LYS A 65 -5.540 -24.270 -1.228 1.00 74.54 C ATOM 978 NZ LYS A 65 -4.790 -23.017 -1.502 1.00 62.51 N1+ ATOM 0 H LYS A 65 -7.819 -27.545 -4.292 1.00 0.43 H new ATOM 0 HA LYS A 65 -5.217 -26.592 -3.983 1.00 4.21 H new ATOM 0 HB2 LYS A 65 -7.022 -26.056 -2.423 1.00 2.10 H new ATOM 0 HB3 LYS A 65 -7.201 -27.741 -1.978 1.00 2.10 H new ATOM 0 HG2 LYS A 65 -5.973 -26.785 -0.195 1.00 73.25 H new ATOM 0 HG3 LYS A 65 -4.773 -27.648 -1.136 1.00 73.25 H new ATOM 0 HD2 LYS A 65 -3.884 -25.457 -0.542 1.00 53.43 H new ATOM 0 HD3 LYS A 65 -4.136 -25.516 -2.275 1.00 53.43 H new ATOM 0 HE2 LYS A 65 -6.360 -24.364 -1.940 1.00 74.54 H new ATOM 0 HE3 LYS A 65 -5.986 -24.215 -0.235 1.00 74.54 H new ATOM 0 HZ1 LYS A 65 -5.377 -22.379 -2.076 1.00 62.51 H new ATOM 0 HZ2 LYS A 65 -4.551 -22.552 -0.603 1.00 62.51 H new ATOM 0 HZ3 LYS A 65 -3.916 -23.242 -2.019 1.00 62.51 H new ATOM 992 N LEU A 66 -5.660 -29.748 -3.030 1.00 12.42 N ATOM 993 CA LEU A 66 -4.971 -31.000 -2.744 1.00 2.43 C ATOM 994 C LEU A 66 -4.118 -31.399 -3.943 1.00 60.12 C ATOM 995 O LEU A 66 -2.991 -31.878 -3.795 1.00 51.14 O ATOM 996 CB LEU A 66 -5.969 -32.123 -2.413 1.00 45.35 C ATOM 997 CG LEU A 66 -6.987 -31.794 -1.309 1.00 74.51 C ATOM 998 CD1 LEU A 66 -7.951 -32.958 -1.104 1.00 61.45 C ATOM 999 CD2 LEU A 66 -6.274 -31.438 -0.003 1.00 41.11 C ATOM 0 H LEU A 66 -6.675 -29.794 -2.939 1.00 12.42 H new ATOM 0 HA LEU A 66 -4.333 -30.849 -1.873 1.00 2.43 H new ATOM 0 HB2 LEU A 66 -6.514 -32.382 -3.321 1.00 45.35 H new ATOM 0 HB3 LEU A 66 -5.408 -33.009 -2.115 1.00 45.35 H new ATOM 0 HG LEU A 66 -7.566 -30.926 -1.624 1.00 74.51 H new ATOM 0 HD11 LEU A 66 -8.664 -32.706 -0.319 1.00 61.45 H new ATOM 0 HD12 LEU A 66 -8.488 -33.154 -2.032 1.00 61.45 H new ATOM 0 HD13 LEU A 66 -7.391 -33.847 -0.814 1.00 61.45 H new ATOM 0 HD21 LEU A 66 -7.013 -31.209 0.764 1.00 41.11 H new ATOM 0 HD22 LEU A 66 -5.665 -32.282 0.321 1.00 41.11 H new ATOM 0 HD23 LEU A 66 -5.635 -30.569 -0.162 1.00 41.11 H new ATOM 1011 N ALA A 67 -4.671 -31.169 -5.131 1.00 43.32 N ATOM 1012 CA ALA A 67 -3.974 -31.439 -6.376 1.00 1.23 C ATOM 1013 C ALA A 67 -2.716 -30.585 -6.472 1.00 3.40 C ATOM 1014 O ALA A 67 -1.644 -31.095 -6.751 1.00 21.23 O ATOM 1015 CB ALA A 67 -4.887 -31.185 -7.570 1.00 34.31 C ATOM 0 H ALA A 67 -5.611 -30.792 -5.253 1.00 43.32 H new ATOM 0 HA ALA A 67 -3.683 -32.489 -6.389 1.00 1.23 H new ATOM 0 HB1 ALA A 67 -4.346 -31.393 -8.493 1.00 34.31 H new ATOM 0 HB2 ALA A 67 -5.759 -31.836 -7.506 1.00 34.31 H new ATOM 0 HB3 ALA A 67 -5.210 -30.144 -7.566 1.00 34.31 H new ATOM 1021 N GLN A 68 -2.848 -29.290 -6.205 1.00 30.24 N ATOM 1022 CA GLN A 68 -1.710 -28.369 -6.256 1.00 34.53 C ATOM 1023 C GLN A 68 -0.584 -28.846 -5.339 1.00 14.40 C ATOM 1024 O GLN A 68 0.590 -28.815 -5.708 1.00 34.01 O ATOM 1025 CB GLN A 68 -2.143 -26.948 -5.865 1.00 73.12 C ATOM 1026 CG GLN A 68 -3.035 -26.271 -6.900 1.00 63.23 C ATOM 1027 CD GLN A 68 -3.451 -24.866 -6.494 1.00 72.52 C ATOM 1028 OE1 GLN A 68 -3.591 -24.559 -5.310 1.00 74.13 O ATOM 1029 NE2 GLN A 68 -3.647 -23.999 -7.476 1.00 35.24 N ATOM 0 H GLN A 68 -3.732 -28.850 -5.950 1.00 30.24 H new ATOM 0 HA GLN A 68 -1.339 -28.351 -7.281 1.00 34.53 H new ATOM 0 HB2 GLN A 68 -2.673 -26.988 -4.913 1.00 73.12 H new ATOM 0 HB3 GLN A 68 -1.254 -26.337 -5.710 1.00 73.12 H new ATOM 0 HG2 GLN A 68 -2.508 -26.227 -7.853 1.00 63.23 H new ATOM 0 HG3 GLN A 68 -3.927 -26.878 -7.056 1.00 63.23 H new ATOM 0 HE21 GLN A 68 -3.521 -24.290 -8.446 1.00 35.24 H new ATOM 0 HE22 GLN A 68 -3.923 -23.041 -7.263 1.00 35.24 H new ATOM 1038 N GLN A 69 -0.956 -29.301 -4.149 1.00 23.22 N ATOM 1039 CA GLN A 69 0.016 -29.799 -3.175 1.00 22.40 C ATOM 1040 C GLN A 69 0.688 -31.088 -3.667 1.00 3.21 C ATOM 1041 O GLN A 69 1.909 -31.236 -3.593 1.00 75.41 O ATOM 1042 CB GLN A 69 -0.675 -30.053 -1.827 1.00 11.52 C ATOM 1043 CG GLN A 69 0.251 -30.627 -0.753 1.00 32.44 C ATOM 1044 CD GLN A 69 -0.454 -30.896 0.571 1.00 50.30 C ATOM 1045 OE1 GLN A 69 -1.738 -31.223 0.511 1.00 65.51 O flip ATOM 1046 NE2 GLN A 69 0.157 -30.824 1.638 1.00 31.30 N flip ATOM 0 H GLN A 69 -1.925 -29.337 -3.832 1.00 23.22 H new ATOM 0 HA GLN A 69 0.788 -29.040 -3.051 1.00 22.40 H new ATOM 0 HB2 GLN A 69 -1.098 -29.116 -1.465 1.00 11.52 H new ATOM 0 HB3 GLN A 69 -1.507 -30.740 -1.980 1.00 11.52 H new ATOM 0 HG2 GLN A 69 0.688 -31.556 -1.119 1.00 32.44 H new ATOM 0 HG3 GLN A 69 1.074 -29.932 -0.584 1.00 32.44 H new ATOM 0 HE21 GLN A 69 1.145 -30.569 1.644 1.00 31.30 H new ATOM 0 HE22 GLN A 69 -0.325 -31.019 2.516 1.00 31.30 H new ATOM 1055 N TYR A 70 -0.126 -32.001 -4.190 1.00 14.41 N ATOM 1056 CA TYR A 70 0.325 -33.351 -4.545 1.00 60.14 C ATOM 1057 C TYR A 70 0.566 -33.526 -6.050 1.00 40.42 C ATOM 1058 O TYR A 70 0.859 -34.631 -6.493 1.00 75.22 O ATOM 1059 CB TYR A 70 -0.689 -34.396 -4.050 1.00 23.30 C ATOM 1060 CG TYR A 70 -0.731 -34.565 -2.540 1.00 14.04 C ATOM 1061 CD1 TYR A 70 -1.942 -34.617 -1.856 1.00 64.52 C ATOM 1062 CD2 TYR A 70 0.443 -34.686 -1.803 1.00 13.23 C ATOM 1063 CE1 TYR A 70 -1.981 -34.783 -0.487 1.00 62.24 C ATOM 1064 CE2 TYR A 70 0.411 -34.851 -0.431 1.00 4.24 C ATOM 1065 CZ TYR A 70 -0.802 -34.903 0.221 1.00 51.45 C ATOM 1066 OH TYR A 70 -0.834 -35.073 1.588 1.00 12.52 O ATOM 0 H TYR A 70 -1.113 -31.831 -4.381 1.00 14.41 H new ATOM 0 HA TYR A 70 1.285 -33.501 -4.051 1.00 60.14 H new ATOM 0 HB2 TYR A 70 -1.682 -34.114 -4.400 1.00 23.30 H new ATOM 0 HB3 TYR A 70 -0.452 -35.358 -4.504 1.00 23.30 H new ATOM 0 HD1 TYR A 70 -2.867 -34.526 -2.406 1.00 64.52 H new ATOM 0 HD2 TYR A 70 1.395 -34.650 -2.311 1.00 13.23 H new ATOM 0 HE1 TYR A 70 -2.929 -34.819 0.028 1.00 62.24 H new ATOM 0 HE2 TYR A 70 1.332 -34.939 0.127 1.00 4.24 H new ATOM 0 HH TYR A 70 0.082 -35.141 1.931 1.00 12.52 H new ATOM 1076 N THR A 71 0.456 -32.445 -6.825 1.00 61.35 N ATOM 1077 CA THR A 71 0.432 -32.525 -8.298 1.00 51.44 C ATOM 1078 C THR A 71 1.624 -33.296 -8.885 1.00 2.11 C ATOM 1079 O THR A 71 1.558 -33.751 -10.029 1.00 63.31 O ATOM 1080 CB THR A 71 0.391 -31.113 -8.947 1.00 32.42 C ATOM 1081 OG1 THR A 71 0.295 -31.227 -10.378 1.00 20.15 O ATOM 1082 CG2 THR A 71 1.626 -30.293 -8.581 1.00 4.22 C ATOM 0 H THR A 71 0.381 -31.496 -6.460 1.00 61.35 H new ATOM 0 HA THR A 71 -0.480 -33.073 -8.535 1.00 51.44 H new ATOM 0 HB THR A 71 -0.488 -30.597 -8.561 1.00 32.42 H new ATOM 0 HG1 THR A 71 0.577 -32.124 -10.654 1.00 20.15 H new ATOM 0 HG21 THR A 71 1.564 -29.312 -9.052 1.00 4.22 H new ATOM 0 HG22 THR A 71 1.676 -30.174 -7.499 1.00 4.22 H new ATOM 0 HG23 THR A 71 2.521 -30.807 -8.931 1.00 4.22 H new ATOM 1090 N GLU A 72 2.700 -33.443 -8.117 1.00 51.24 N ATOM 1091 CA GLU A 72 3.871 -34.182 -8.587 1.00 74.02 C ATOM 1092 C GLU A 72 3.575 -35.680 -8.692 1.00 60.10 C ATOM 1093 O GLU A 72 4.163 -36.383 -9.515 1.00 53.34 O ATOM 1094 CB GLU A 72 5.065 -33.955 -7.657 1.00 21.44 C ATOM 1095 CG GLU A 72 5.464 -32.493 -7.514 1.00 35.12 C ATOM 1096 CD GLU A 72 6.826 -32.335 -6.865 1.00 32.11 C ATOM 1097 OE1 GLU A 72 6.920 -32.453 -5.626 1.00 53.51 O ATOM 1098 OE2 GLU A 72 7.818 -32.126 -7.599 1.00 0.13 O1- ATOM 0 H GLU A 72 2.787 -33.064 -7.174 1.00 51.24 H new ATOM 0 HA GLU A 72 4.118 -33.807 -9.580 1.00 74.02 H new ATOM 0 HB2 GLU A 72 4.827 -34.355 -6.671 1.00 21.44 H new ATOM 0 HB3 GLU A 72 5.918 -34.520 -8.032 1.00 21.44 H new ATOM 0 HG2 GLU A 72 5.474 -32.023 -8.497 1.00 35.12 H new ATOM 0 HG3 GLU A 72 4.716 -31.970 -6.918 1.00 35.12 H new ATOM 1105 N ASN A 73 2.668 -36.154 -7.842 1.00 54.34 N ATOM 1106 CA ASN A 73 2.267 -37.564 -7.819 1.00 53.33 C ATOM 1107 C ASN A 73 0.777 -37.721 -8.112 1.00 50.23 C ATOM 1108 O ASN A 73 0.304 -38.832 -8.321 1.00 40.15 O ATOM 1109 CB ASN A 73 2.565 -38.197 -6.446 1.00 52.25 C ATOM 1110 CG ASN A 73 4.045 -38.455 -6.187 1.00 60.25 C ATOM 1111 OD1 ASN A 73 4.921 -37.768 -6.712 1.00 52.33 O ATOM 1112 ND2 ASN A 73 4.332 -39.452 -5.361 1.00 3.30 N ATOM 0 H ASN A 73 2.190 -35.576 -7.151 1.00 54.34 H new ATOM 0 HA ASN A 73 2.843 -38.071 -8.593 1.00 53.33 H new ATOM 0 HB2 ASN A 73 2.179 -37.542 -5.665 1.00 52.25 H new ATOM 0 HB3 ASN A 73 2.024 -39.140 -6.368 1.00 52.25 H new ATOM 0 HD21 ASN A 73 5.304 -39.670 -5.143 1.00 3.30 H new ATOM 0 HD22 ASN A 73 3.580 -40.001 -4.944 1.00 3.30 H new ATOM 1119 N VAL A 74 0.038 -36.616 -8.114 1.00 42.24 N ATOM 1120 CA VAL A 74 -1.425 -36.657 -8.214 1.00 72.51 C ATOM 1121 C VAL A 74 -1.935 -35.798 -9.368 1.00 33.41 C ATOM 1122 O VAL A 74 -1.398 -34.724 -9.647 1.00 74.22 O ATOM 1123 CB VAL A 74 -2.084 -36.181 -6.888 1.00 15.53 C ATOM 1124 CG1 VAL A 74 -3.597 -35.999 -7.038 1.00 23.10 C ATOM 1125 CG2 VAL A 74 -1.769 -37.161 -5.760 1.00 50.05 C ATOM 0 H VAL A 74 0.426 -35.675 -8.047 1.00 42.24 H new ATOM 0 HA VAL A 74 -1.702 -37.694 -8.404 1.00 72.51 H new ATOM 0 HB VAL A 74 -1.663 -35.207 -6.639 1.00 15.53 H new ATOM 0 HG11 VAL A 74 -4.019 -35.666 -6.090 1.00 23.10 H new ATOM 0 HG12 VAL A 74 -3.799 -35.254 -7.807 1.00 23.10 H new ATOM 0 HG13 VAL A 74 -4.051 -36.948 -7.324 1.00 23.10 H new ATOM 0 HG21 VAL A 74 -2.236 -36.816 -4.837 1.00 50.05 H new ATOM 0 HG22 VAL A 74 -2.156 -38.147 -6.016 1.00 50.05 H new ATOM 0 HG23 VAL A 74 -0.690 -37.220 -5.620 1.00 50.05 H new ATOM 1135 N LYS A 75 -2.978 -36.285 -10.035 1.00 71.33 N ATOM 1136 CA LYS A 75 -3.647 -35.531 -11.090 1.00 20.41 C ATOM 1137 C LYS A 75 -5.141 -35.843 -11.073 1.00 63.15 C ATOM 1138 O LYS A 75 -5.535 -37.004 -11.011 1.00 32.02 O ATOM 1139 CB LYS A 75 -3.054 -35.865 -12.470 1.00 33.32 C ATOM 1140 CG LYS A 75 -3.737 -35.132 -13.627 1.00 15.44 C ATOM 1141 CD LYS A 75 -3.518 -33.619 -13.571 1.00 32.33 C ATOM 1142 CE LYS A 75 -2.101 -33.230 -13.983 1.00 62.53 C ATOM 1143 NZ LYS A 75 -1.838 -33.542 -15.415 1.00 41.05 N1+ ATOM 0 H LYS A 75 -3.380 -37.206 -9.861 1.00 71.33 H new ATOM 0 HA LYS A 75 -3.494 -34.468 -10.906 1.00 20.41 H new ATOM 0 HB2 LYS A 75 -1.993 -35.616 -12.470 1.00 33.32 H new ATOM 0 HB3 LYS A 75 -3.129 -36.939 -12.637 1.00 33.32 H new ATOM 0 HG2 LYS A 75 -3.355 -35.517 -14.573 1.00 15.44 H new ATOM 0 HG3 LYS A 75 -4.806 -35.342 -13.606 1.00 15.44 H new ATOM 0 HD2 LYS A 75 -4.235 -33.125 -14.227 1.00 32.33 H new ATOM 0 HD3 LYS A 75 -3.712 -33.262 -12.560 1.00 32.33 H new ATOM 0 HE2 LYS A 75 -1.951 -32.164 -13.809 1.00 62.53 H new ATOM 0 HE3 LYS A 75 -1.382 -33.759 -13.357 1.00 62.53 H new ATOM 0 HZ1 LYS A 75 -1.128 -34.299 -15.481 1.00 41.05 H new ATOM 0 HZ2 LYS A 75 -2.720 -33.854 -15.870 1.00 41.05 H new ATOM 0 HZ3 LYS A 75 -1.483 -32.691 -15.896 1.00 41.05 H new ATOM 1157 N ILE A 76 -5.974 -34.808 -11.112 1.00 10.31 N ATOM 1158 CA ILE A 76 -7.421 -34.995 -11.134 1.00 43.12 C ATOM 1159 C ILE A 76 -7.956 -34.757 -12.541 1.00 51.15 C ATOM 1160 O ILE A 76 -7.773 -33.679 -13.105 1.00 60.02 O ATOM 1161 CB ILE A 76 -8.147 -34.043 -10.146 1.00 3.10 C ATOM 1162 CG1 ILE A 76 -7.509 -34.138 -8.748 1.00 3.44 C ATOM 1163 CG2 ILE A 76 -9.642 -34.373 -10.081 1.00 13.44 C ATOM 1164 CD1 ILE A 76 -8.170 -33.258 -7.704 1.00 73.14 C ATOM 0 H ILE A 76 -5.673 -33.833 -11.129 1.00 10.31 H new ATOM 0 HA ILE A 76 -7.619 -36.021 -10.823 1.00 43.12 H new ATOM 0 HB ILE A 76 -8.040 -33.020 -10.507 1.00 3.10 H new ATOM 0 HG12 ILE A 76 -7.549 -35.174 -8.412 1.00 3.44 H new ATOM 0 HG13 ILE A 76 -6.456 -33.867 -8.822 1.00 3.44 H new ATOM 0 HG21 ILE A 76 -10.134 -33.695 -9.383 1.00 13.44 H new ATOM 0 HG22 ILE A 76 -10.083 -34.258 -11.071 1.00 13.44 H new ATOM 0 HG23 ILE A 76 -9.773 -35.401 -9.742 1.00 13.44 H new ATOM 0 HD11 ILE A 76 -7.662 -33.383 -6.748 1.00 73.14 H new ATOM 0 HD12 ILE A 76 -8.107 -32.215 -8.015 1.00 73.14 H new ATOM 0 HD13 ILE A 76 -9.217 -33.543 -7.598 1.00 73.14 H new ATOM 1176 N TYR A 77 -8.594 -35.774 -13.106 1.00 3.34 N ATOM 1177 CA TYR A 77 -9.199 -35.674 -14.428 1.00 12.22 C ATOM 1178 C TYR A 77 -10.715 -35.624 -14.322 1.00 34.33 C ATOM 1179 O TYR A 77 -11.295 -36.123 -13.362 1.00 1.44 O ATOM 1180 CB TYR A 77 -8.787 -36.862 -15.313 1.00 23.15 C ATOM 1181 CG TYR A 77 -7.375 -36.760 -15.857 1.00 51.23 C ATOM 1182 CD1 TYR A 77 -6.347 -37.550 -15.353 1.00 62.14 C ATOM 1183 CD2 TYR A 77 -7.074 -35.867 -16.876 1.00 61.02 C ATOM 1184 CE1 TYR A 77 -5.061 -37.447 -15.849 1.00 25.40 C ATOM 1185 CE2 TYR A 77 -5.796 -35.762 -17.377 1.00 34.01 C ATOM 1186 CZ TYR A 77 -4.792 -36.550 -16.861 1.00 2.40 C ATOM 1187 OH TYR A 77 -3.513 -36.435 -17.360 1.00 22.34 O ATOM 0 H TYR A 77 -8.706 -36.686 -12.664 1.00 3.34 H new ATOM 0 HA TYR A 77 -8.841 -34.752 -14.886 1.00 12.22 H new ATOM 0 HB2 TYR A 77 -8.878 -37.782 -14.735 1.00 23.15 H new ATOM 0 HB3 TYR A 77 -9.483 -36.940 -16.148 1.00 23.15 H new ATOM 0 HD1 TYR A 77 -6.557 -38.255 -14.562 1.00 62.14 H new ATOM 0 HD2 TYR A 77 -7.856 -35.243 -17.283 1.00 61.02 H new ATOM 0 HE1 TYR A 77 -4.272 -38.065 -15.447 1.00 25.40 H new ATOM 0 HE2 TYR A 77 -5.582 -35.064 -18.172 1.00 34.01 H new ATOM 0 HH TYR A 77 -3.304 -35.489 -17.509 1.00 22.34 H new ATOM 1197 N LYS A 78 -11.349 -35.015 -15.313 1.00 10.01 N ATOM 1198 CA LYS A 78 -12.801 -35.025 -15.422 1.00 3.41 C ATOM 1199 C LYS A 78 -13.195 -35.413 -16.837 1.00 25.15 C ATOM 1200 O LYS A 78 -12.815 -34.732 -17.793 1.00 45.21 O ATOM 1201 CB LYS A 78 -13.403 -33.649 -15.100 1.00 53.32 C ATOM 1202 CG LYS A 78 -14.932 -33.674 -14.999 1.00 32.43 C ATOM 1203 CD LYS A 78 -15.571 -32.310 -15.271 1.00 31.14 C ATOM 1204 CE LYS A 78 -15.487 -31.925 -16.745 1.00 3.31 C ATOM 1205 NZ LYS A 78 -16.302 -30.719 -17.063 1.00 62.33 N1+ ATOM 0 H LYS A 78 -10.877 -34.504 -16.059 1.00 10.01 H new ATOM 0 HA LYS A 78 -13.186 -35.746 -14.701 1.00 3.41 H new ATOM 0 HB2 LYS A 78 -12.988 -33.288 -14.159 1.00 53.32 H new ATOM 0 HB3 LYS A 78 -13.107 -32.939 -15.872 1.00 53.32 H new ATOM 0 HG2 LYS A 78 -15.326 -34.402 -15.709 1.00 32.43 H new ATOM 0 HG3 LYS A 78 -15.220 -34.012 -14.003 1.00 32.43 H new ATOM 0 HD2 LYS A 78 -16.616 -32.330 -14.960 1.00 31.14 H new ATOM 0 HD3 LYS A 78 -15.074 -31.550 -14.669 1.00 31.14 H new ATOM 0 HE2 LYS A 78 -14.447 -31.738 -17.010 1.00 3.31 H new ATOM 0 HE3 LYS A 78 -15.826 -32.761 -17.356 1.00 3.31 H new ATOM 0 HZ1 LYS A 78 -16.083 -30.397 -18.027 1.00 62.33 H new ATOM 0 HZ2 LYS A 78 -17.313 -30.956 -16.998 1.00 62.33 H new ATOM 0 HZ3 LYS A 78 -16.080 -29.961 -16.386 1.00 62.33 H new ATOM 1219 N ILE A 79 -13.938 -36.502 -16.973 1.00 35.25 N ATOM 1220 CA ILE A 79 -14.476 -36.894 -18.269 1.00 51.22 C ATOM 1221 C ILE A 79 -15.611 -35.939 -18.623 1.00 13.33 C ATOM 1222 O ILE A 79 -16.683 -35.990 -18.015 1.00 3.23 O ATOM 1223 CB ILE A 79 -15.003 -38.354 -18.264 1.00 11.23 C ATOM 1224 CG1 ILE A 79 -13.945 -39.310 -17.685 1.00 75.13 C ATOM 1225 CG2 ILE A 79 -15.398 -38.786 -19.678 1.00 32.21 C ATOM 1226 CD1 ILE A 79 -14.415 -40.748 -17.564 1.00 50.20 C ATOM 0 H ILE A 79 -14.182 -37.128 -16.206 1.00 35.25 H new ATOM 0 HA ILE A 79 -13.677 -36.843 -19.008 1.00 51.22 H new ATOM 0 HB ILE A 79 -15.888 -38.397 -17.630 1.00 11.23 H new ATOM 0 HG12 ILE A 79 -13.058 -39.280 -18.318 1.00 75.13 H new ATOM 0 HG13 ILE A 79 -13.646 -38.952 -16.700 1.00 75.13 H new ATOM 0 HG21 ILE A 79 -15.765 -39.812 -19.656 1.00 32.21 H new ATOM 0 HG22 ILE A 79 -16.182 -38.128 -20.054 1.00 32.21 H new ATOM 0 HG23 ILE A 79 -14.529 -38.726 -20.333 1.00 32.21 H new ATOM 0 HD11 ILE A 79 -13.614 -41.359 -17.148 1.00 50.20 H new ATOM 0 HD12 ILE A 79 -15.284 -40.793 -16.907 1.00 50.20 H new ATOM 0 HD13 ILE A 79 -14.686 -41.126 -18.550 1.00 50.20 H new ATOM 1238 N ASN A 80 -15.366 -35.044 -19.572 1.00 52.33 N ATOM 1239 CA ASN A 80 -16.311 -33.971 -19.875 1.00 2.04 C ATOM 1240 C ASN A 80 -17.494 -34.485 -20.696 1.00 60.11 C ATOM 1241 O ASN A 80 -17.583 -34.245 -21.903 1.00 23.20 O ATOM 1242 CB ASN A 80 -15.613 -32.815 -20.605 1.00 23.44 C ATOM 1243 CG ASN A 80 -16.476 -31.565 -20.655 1.00 12.41 C ATOM 1244 OD1 ASN A 80 -16.393 -30.709 -19.774 1.00 32.04 O ATOM 1245 ND2 ASN A 80 -17.319 -31.457 -21.668 1.00 24.31 N ATOM 0 H ASN A 80 -14.523 -35.038 -20.146 1.00 52.33 H new ATOM 0 HA ASN A 80 -16.697 -33.597 -18.927 1.00 2.04 H new ATOM 0 HB2 ASN A 80 -14.673 -32.586 -20.104 1.00 23.44 H new ATOM 0 HB3 ASN A 80 -15.366 -33.125 -21.620 1.00 23.44 H new ATOM 0 HD21 ASN A 80 -17.930 -30.643 -21.739 1.00 24.31 H new ATOM 0 HD22 ASN A 80 -17.359 -32.188 -22.379 1.00 24.31 H new ATOM 1252 N ILE A 81 -18.371 -35.231 -20.028 1.00 22.21 N ATOM 1253 CA ILE A 81 -19.627 -35.708 -20.608 1.00 54.13 C ATOM 1254 C ILE A 81 -20.690 -35.773 -19.516 1.00 65.23 C ATOM 1255 O ILE A 81 -21.605 -36.592 -19.568 1.00 21.40 O ATOM 1256 CB ILE A 81 -19.482 -37.110 -21.274 1.00 63.43 C ATOM 1257 CG1 ILE A 81 -18.937 -38.138 -20.270 1.00 0.10 C ATOM 1258 CG2 ILE A 81 -18.596 -37.041 -22.520 1.00 45.20 C ATOM 1259 CD1 ILE A 81 -18.786 -39.533 -20.845 1.00 64.23 C ATOM 0 H ILE A 81 -18.230 -35.524 -19.061 1.00 22.21 H new ATOM 0 HA ILE A 81 -19.917 -35.005 -21.389 1.00 54.13 H new ATOM 0 HB ILE A 81 -20.474 -37.435 -21.588 1.00 63.43 H new ATOM 0 HG12 ILE A 81 -17.967 -37.798 -19.906 1.00 0.10 H new ATOM 0 HG13 ILE A 81 -19.604 -38.180 -19.409 1.00 0.10 H new ATOM 0 HG21 ILE A 81 -18.513 -38.033 -22.963 1.00 45.20 H new ATOM 0 HG22 ILE A 81 -19.038 -36.356 -23.244 1.00 45.20 H new ATOM 0 HG23 ILE A 81 -17.604 -36.684 -22.242 1.00 45.20 H new ATOM 0 HD11 ILE A 81 -18.397 -40.203 -20.078 1.00 64.23 H new ATOM 0 HD12 ILE A 81 -19.757 -39.894 -21.183 1.00 64.23 H new ATOM 0 HD13 ILE A 81 -18.095 -39.506 -21.688 1.00 64.23 H new ATOM 1271 N GLU A 82 -20.572 -34.870 -18.541 1.00 34.03 N ATOM 1272 CA GLU A 82 -21.447 -34.865 -17.367 1.00 12.21 C ATOM 1273 C GLU A 82 -22.905 -34.626 -17.757 1.00 64.13 C ATOM 1274 O GLU A 82 -23.821 -34.944 -16.995 1.00 42.22 O ATOM 1275 CB GLU A 82 -20.993 -33.806 -16.345 1.00 14.33 C ATOM 1276 CG GLU A 82 -21.093 -32.352 -16.825 1.00 12.32 C ATOM 1277 CD GLU A 82 -20.024 -31.971 -17.840 1.00 44.14 C ATOM 1278 OE1 GLU A 82 -18.942 -31.497 -17.424 1.00 64.21 O ATOM 1279 OE2 GLU A 82 -20.265 -32.144 -19.056 1.00 51.21 O1- ATOM 0 H GLU A 82 -19.873 -34.127 -18.542 1.00 34.03 H new ATOM 0 HA GLU A 82 -21.375 -35.850 -16.906 1.00 12.21 H new ATOM 0 HB2 GLU A 82 -21.592 -33.916 -15.441 1.00 14.33 H new ATOM 0 HB3 GLU A 82 -19.959 -34.011 -16.069 1.00 14.33 H new ATOM 0 HG2 GLU A 82 -22.076 -32.191 -17.267 1.00 12.32 H new ATOM 0 HG3 GLU A 82 -21.018 -31.688 -15.964 1.00 12.32 H new ATOM 1286 N ASP A 83 -23.113 -34.062 -18.941 1.00 63.52 N ATOM 1287 CA ASP A 83 -24.459 -33.840 -19.463 1.00 11.04 C ATOM 1288 C ASP A 83 -25.082 -35.169 -19.874 1.00 33.50 C ATOM 1289 O ASP A 83 -26.304 -35.334 -19.858 1.00 21.21 O ATOM 1290 CB ASP A 83 -24.421 -32.886 -20.662 1.00 23.45 C ATOM 1291 CG ASP A 83 -23.764 -33.507 -21.886 1.00 52.42 C ATOM 1292 OD1 ASP A 83 -24.453 -33.698 -22.914 1.00 43.25 O ATOM 1293 OD2 ASP A 83 -22.554 -33.811 -21.830 1.00 25.20 O1- ATOM 0 H ASP A 83 -22.365 -33.749 -19.560 1.00 63.52 H new ATOM 0 HA ASP A 83 -25.066 -33.387 -18.679 1.00 11.04 H new ATOM 0 HB2 ASP A 83 -25.438 -32.585 -20.914 1.00 23.45 H new ATOM 0 HB3 ASP A 83 -23.880 -31.981 -20.384 1.00 23.45 H new ATOM 1298 N ASN A 84 -24.226 -36.112 -20.244 1.00 32.21 N ATOM 1299 CA ASN A 84 -24.658 -37.446 -20.640 1.00 13.34 C ATOM 1300 C ASN A 84 -24.785 -38.320 -19.394 1.00 61.05 C ATOM 1301 O ASN A 84 -23.911 -39.137 -19.088 1.00 23.22 O ATOM 1302 CB ASN A 84 -23.659 -38.040 -21.650 1.00 61.11 C ATOM 1303 CG ASN A 84 -24.139 -39.330 -22.303 1.00 73.53 C ATOM 1304 OD1 ASN A 84 -24.858 -40.131 -21.701 1.00 44.50 O ATOM 1305 ND2 ASN A 84 -23.733 -39.543 -23.548 1.00 3.45 N ATOM 0 H ASN A 84 -23.216 -35.975 -20.278 1.00 32.21 H new ATOM 0 HA ASN A 84 -25.632 -37.398 -21.128 1.00 13.34 H new ATOM 0 HB2 ASN A 84 -23.460 -37.302 -22.427 1.00 61.11 H new ATOM 0 HB3 ASN A 84 -22.713 -38.231 -21.142 1.00 61.11 H new ATOM 0 HD21 ASN A 84 -24.015 -40.392 -24.038 1.00 3.45 H new ATOM 0 HD22 ASN A 84 -23.139 -38.858 -24.015 1.00 3.45 H new ATOM 1312 N GLN A 85 -25.874 -38.105 -18.660 1.00 14.34 N ATOM 1313 CA GLN A 85 -26.117 -38.784 -17.390 1.00 73.43 C ATOM 1314 C GLN A 85 -26.236 -40.289 -17.600 1.00 30.44 C ATOM 1315 O GLN A 85 -25.917 -41.081 -16.705 1.00 11.40 O ATOM 1316 CB GLN A 85 -27.398 -38.238 -16.741 1.00 62.01 C ATOM 1317 CG GLN A 85 -27.727 -38.861 -15.387 1.00 14.43 C ATOM 1318 CD GLN A 85 -29.045 -38.367 -14.813 1.00 52.52 C ATOM 1319 OE1 GLN A 85 -29.461 -37.229 -15.051 1.00 30.11 O ATOM 1320 NE2 GLN A 85 -29.718 -39.222 -14.062 1.00 22.33 N ATOM 0 H GLN A 85 -26.613 -37.455 -18.929 1.00 14.34 H new ATOM 0 HA GLN A 85 -25.272 -38.595 -16.727 1.00 73.43 H new ATOM 0 HB2 GLN A 85 -27.298 -37.160 -16.618 1.00 62.01 H new ATOM 0 HB3 GLN A 85 -28.235 -38.405 -17.419 1.00 62.01 H new ATOM 0 HG2 GLN A 85 -27.766 -39.945 -15.491 1.00 14.43 H new ATOM 0 HG3 GLN A 85 -26.924 -38.637 -14.685 1.00 14.43 H new ATOM 0 HE21 GLN A 85 -29.342 -40.154 -13.888 1.00 22.33 H new ATOM 0 HE22 GLN A 85 -30.614 -38.950 -13.657 1.00 22.33 H new ATOM 1329 N ASP A 86 -26.676 -40.675 -18.795 1.00 11.41 N ATOM 1330 CA ASP A 86 -26.862 -42.084 -19.141 1.00 44.11 C ATOM 1331 C ASP A 86 -25.611 -42.891 -18.796 1.00 63.32 C ATOM 1332 O ASP A 86 -25.702 -43.990 -18.242 1.00 33.14 O ATOM 1333 CB ASP A 86 -27.190 -42.222 -20.634 1.00 54.34 C ATOM 1334 CG ASP A 86 -27.438 -43.664 -21.055 1.00 51.54 C ATOM 1335 OD1 ASP A 86 -26.514 -44.299 -21.607 1.00 24.41 O ATOM 1336 OD2 ASP A 86 -28.565 -44.164 -20.850 1.00 5.23 O1- ATOM 0 H ASP A 86 -26.912 -40.027 -19.546 1.00 11.41 H new ATOM 0 HA ASP A 86 -27.696 -42.477 -18.560 1.00 44.11 H new ATOM 0 HB2 ASP A 86 -28.072 -41.625 -20.864 1.00 54.34 H new ATOM 0 HB3 ASP A 86 -26.367 -41.814 -21.221 1.00 54.34 H new ATOM 1341 N VAL A 87 -24.446 -42.313 -19.093 1.00 53.31 N ATOM 1342 CA VAL A 87 -23.158 -42.949 -18.802 1.00 43.31 C ATOM 1343 C VAL A 87 -23.065 -43.336 -17.325 1.00 71.01 C ATOM 1344 O VAL A 87 -22.581 -44.419 -16.983 1.00 44.23 O ATOM 1345 CB VAL A 87 -21.972 -42.014 -19.160 1.00 24.23 C ATOM 1346 CG1 VAL A 87 -20.630 -42.659 -18.811 1.00 42.44 C ATOM 1347 CG2 VAL A 87 -22.015 -41.627 -20.636 1.00 22.14 C ATOM 0 H VAL A 87 -24.367 -41.399 -19.538 1.00 53.31 H new ATOM 0 HA VAL A 87 -23.096 -43.847 -19.417 1.00 43.31 H new ATOM 0 HB VAL A 87 -22.072 -41.108 -18.563 1.00 24.23 H new ATOM 0 HG11 VAL A 87 -19.820 -41.979 -19.074 1.00 42.44 H new ATOM 0 HG12 VAL A 87 -20.594 -42.869 -17.742 1.00 42.44 H new ATOM 0 HG13 VAL A 87 -20.518 -43.589 -19.368 1.00 42.44 H new ATOM 0 HG21 VAL A 87 -21.175 -40.972 -20.865 1.00 22.14 H new ATOM 0 HG22 VAL A 87 -21.952 -42.526 -21.250 1.00 22.14 H new ATOM 0 HG23 VAL A 87 -22.949 -41.107 -20.849 1.00 22.14 H new ATOM 1357 N ALA A 88 -23.559 -42.457 -16.455 1.00 74.24 N ATOM 1358 CA ALA A 88 -23.519 -42.698 -15.018 1.00 11.24 C ATOM 1359 C ALA A 88 -24.333 -43.938 -14.680 1.00 40.14 C ATOM 1360 O ALA A 88 -23.875 -44.833 -13.964 1.00 31.23 O ATOM 1361 CB ALA A 88 -24.048 -41.486 -14.255 1.00 44.41 C ATOM 0 H ALA A 88 -23.991 -41.572 -16.722 1.00 74.24 H new ATOM 0 HA ALA A 88 -22.484 -42.862 -14.718 1.00 11.24 H new ATOM 0 HB1 ALA A 88 -24.010 -41.685 -13.184 1.00 44.41 H new ATOM 0 HB2 ALA A 88 -23.434 -40.615 -14.484 1.00 44.41 H new ATOM 0 HB3 ALA A 88 -25.079 -41.291 -14.551 1.00 44.41 H new ATOM 1367 N THR A 89 -25.534 -43.999 -15.235 1.00 43.13 N ATOM 1368 CA THR A 89 -26.439 -45.111 -14.996 1.00 3.03 C ATOM 1369 C THR A 89 -25.861 -46.416 -15.557 1.00 72.34 C ATOM 1370 O THR A 89 -26.055 -47.490 -14.982 1.00 54.24 O ATOM 1371 CB THR A 89 -27.820 -44.819 -15.620 1.00 23.32 C ATOM 1372 OG1 THR A 89 -28.284 -43.533 -15.173 1.00 72.42 O ATOM 1373 CG2 THR A 89 -28.843 -45.890 -15.243 1.00 3.52 C ATOM 0 H THR A 89 -25.906 -43.284 -15.860 1.00 43.13 H new ATOM 0 HA THR A 89 -26.560 -45.230 -13.919 1.00 3.03 H new ATOM 0 HB THR A 89 -27.710 -44.824 -16.704 1.00 23.32 H new ATOM 0 HG1 THR A 89 -29.160 -43.345 -15.570 1.00 72.42 H new ATOM 0 HG21 THR A 89 -29.804 -45.652 -15.700 1.00 3.52 H new ATOM 0 HG22 THR A 89 -28.502 -46.861 -15.601 1.00 3.52 H new ATOM 0 HG23 THR A 89 -28.954 -45.921 -14.159 1.00 3.52 H new ATOM 1381 N GLN A 90 -25.125 -46.306 -16.666 1.00 45.13 N ATOM 1382 CA GLN A 90 -24.499 -47.468 -17.302 1.00 11.14 C ATOM 1383 C GLN A 90 -23.380 -48.030 -16.427 1.00 24.42 C ATOM 1384 O GLN A 90 -23.272 -49.242 -16.244 1.00 33.43 O ATOM 1385 CB GLN A 90 -23.934 -47.094 -18.684 1.00 21.33 C ATOM 1386 CG GLN A 90 -24.977 -46.591 -19.679 1.00 23.40 C ATOM 1387 CD GLN A 90 -26.135 -47.556 -19.864 1.00 32.12 C ATOM 1388 OE1 GLN A 90 -26.090 -48.447 -20.711 1.00 31.51 O ATOM 1389 NE2 GLN A 90 -27.192 -47.370 -19.089 1.00 52.44 N ATOM 0 H GLN A 90 -24.948 -45.422 -17.143 1.00 45.13 H new ATOM 0 HA GLN A 90 -25.267 -48.231 -17.427 1.00 11.14 H new ATOM 0 HB2 GLN A 90 -23.172 -46.325 -18.555 1.00 21.33 H new ATOM 0 HB3 GLN A 90 -23.437 -47.967 -19.108 1.00 21.33 H new ATOM 0 HG2 GLN A 90 -25.363 -45.630 -19.338 1.00 23.40 H new ATOM 0 HG3 GLN A 90 -24.498 -46.418 -20.643 1.00 23.40 H new ATOM 0 HE21 GLN A 90 -27.192 -46.620 -18.398 1.00 52.44 H new ATOM 0 HE22 GLN A 90 -28.007 -47.977 -19.183 1.00 52.44 H new ATOM 1398 N TYR A 91 -22.551 -47.140 -15.889 1.00 23.00 N ATOM 1399 CA TYR A 91 -21.404 -47.550 -15.075 1.00 63.04 C ATOM 1400 C TYR A 91 -21.752 -47.583 -13.589 1.00 53.41 C ATOM 1401 O TYR A 91 -20.900 -47.882 -12.750 1.00 53.15 O ATOM 1402 CB TYR A 91 -20.204 -46.634 -15.343 1.00 50.03 C ATOM 1403 CG TYR A 91 -19.602 -46.838 -16.723 1.00 40.41 C ATOM 1404 CD1 TYR A 91 -18.630 -47.812 -16.941 1.00 1.24 C ATOM 1405 CD2 TYR A 91 -20.021 -46.081 -17.813 1.00 62.23 C ATOM 1406 CE1 TYR A 91 -18.094 -48.020 -18.197 1.00 31.01 C ATOM 1407 CE2 TYR A 91 -19.483 -46.283 -19.069 1.00 43.30 C ATOM 1408 CZ TYR A 91 -18.526 -47.256 -19.256 1.00 51.11 C ATOM 1409 OH TYR A 91 -17.999 -47.469 -20.508 1.00 21.33 O ATOM 0 H TYR A 91 -22.649 -46.131 -16.000 1.00 23.00 H new ATOM 0 HA TYR A 91 -21.133 -48.566 -15.363 1.00 63.04 H new ATOM 0 HB2 TYR A 91 -20.516 -45.595 -15.238 1.00 50.03 H new ATOM 0 HB3 TYR A 91 -19.439 -46.815 -14.588 1.00 50.03 H new ATOM 0 HD1 TYR A 91 -18.289 -48.416 -16.113 1.00 1.24 H new ATOM 0 HD2 TYR A 91 -20.779 -45.324 -17.675 1.00 62.23 H new ATOM 0 HE1 TYR A 91 -17.340 -48.778 -18.347 1.00 31.01 H new ATOM 0 HE2 TYR A 91 -19.812 -45.680 -19.902 1.00 43.30 H new ATOM 0 HH TYR A 91 -18.410 -46.849 -21.146 1.00 21.33 H new ATOM 1419 N GLY A 92 -23.000 -47.253 -13.270 1.00 22.12 N ATOM 1420 CA GLY A 92 -23.517 -47.483 -11.931 1.00 65.55 C ATOM 1421 C GLY A 92 -23.019 -46.478 -10.913 1.00 41.00 C ATOM 1422 O GLY A 92 -22.632 -46.848 -9.801 1.00 12.12 O ATOM 0 H GLY A 92 -23.665 -46.829 -13.917 1.00 22.12 H new ATOM 0 HA2 GLY A 92 -24.606 -47.451 -11.960 1.00 65.55 H new ATOM 0 HA3 GLY A 92 -23.236 -48.486 -11.608 1.00 65.55 H new ATOM 1426 N VAL A 93 -23.012 -45.208 -11.293 1.00 13.51 N ATOM 1427 CA VAL A 93 -22.685 -44.130 -10.366 1.00 13.34 C ATOM 1428 C VAL A 93 -23.865 -43.899 -9.424 1.00 30.02 C ATOM 1429 O VAL A 93 -24.892 -43.360 -9.834 1.00 73.22 O ATOM 1430 CB VAL A 93 -22.342 -42.817 -11.115 1.00 53.43 C ATOM 1431 CG1 VAL A 93 -22.080 -41.675 -10.133 1.00 75.31 C ATOM 1432 CG2 VAL A 93 -21.143 -43.027 -12.040 1.00 13.21 C ATOM 0 H VAL A 93 -23.230 -44.897 -12.240 1.00 13.51 H new ATOM 0 HA VAL A 93 -21.804 -44.425 -9.796 1.00 13.34 H new ATOM 0 HB VAL A 93 -23.202 -42.539 -11.724 1.00 53.43 H new ATOM 0 HG11 VAL A 93 -21.842 -40.767 -10.686 1.00 75.31 H new ATOM 0 HG12 VAL A 93 -22.969 -41.507 -9.525 1.00 75.31 H new ATOM 0 HG13 VAL A 93 -21.242 -41.936 -9.487 1.00 75.31 H new ATOM 0 HG21 VAL A 93 -20.916 -42.095 -12.558 1.00 13.21 H new ATOM 0 HG22 VAL A 93 -20.279 -43.335 -11.451 1.00 13.21 H new ATOM 0 HG23 VAL A 93 -21.378 -43.801 -12.771 1.00 13.21 H new ATOM 1442 N SER A 94 -23.721 -44.328 -8.173 1.00 15.51 N ATOM 1443 CA SER A 94 -24.818 -44.274 -7.204 1.00 63.12 C ATOM 1444 C SER A 94 -25.277 -42.835 -6.946 1.00 52.01 C ATOM 1445 O SER A 94 -26.474 -42.569 -6.812 1.00 33.01 O ATOM 1446 CB SER A 94 -24.391 -44.949 -5.894 1.00 45.35 C ATOM 1447 OG SER A 94 -23.999 -46.296 -6.125 1.00 22.42 O ATOM 0 H SER A 94 -22.854 -44.718 -7.803 1.00 15.51 H new ATOM 0 HA SER A 94 -25.667 -44.813 -7.625 1.00 63.12 H new ATOM 0 HB2 SER A 94 -23.564 -44.396 -5.447 1.00 45.35 H new ATOM 0 HB3 SER A 94 -25.215 -44.922 -5.181 1.00 45.35 H new ATOM 0 HG SER A 94 -23.729 -46.708 -5.278 1.00 22.42 H new ATOM 1453 N ALA A 95 -24.322 -41.911 -6.878 1.00 12.01 N ATOM 1454 CA ALA A 95 -24.626 -40.501 -6.658 1.00 52.44 C ATOM 1455 C ALA A 95 -23.545 -39.618 -7.268 1.00 22.24 C ATOM 1456 O ALA A 95 -22.369 -39.990 -7.287 1.00 22.21 O ATOM 1457 CB ALA A 95 -24.778 -40.212 -5.168 1.00 0.24 C ATOM 0 H ALA A 95 -23.327 -42.115 -6.973 1.00 12.01 H new ATOM 0 HA ALA A 95 -25.572 -40.273 -7.150 1.00 52.44 H new ATOM 0 HB1 ALA A 95 -25.004 -39.156 -5.024 1.00 0.24 H new ATOM 0 HB2 ALA A 95 -25.589 -40.816 -4.761 1.00 0.24 H new ATOM 0 HB3 ALA A 95 -23.849 -40.458 -4.653 1.00 0.24 H new ATOM 1463 N ILE A 96 -23.951 -38.459 -7.776 1.00 40.13 N ATOM 1464 CA ILE A 96 -23.022 -37.491 -8.351 1.00 41.53 C ATOM 1465 C ILE A 96 -22.810 -36.323 -7.380 1.00 24.21 C ATOM 1466 O ILE A 96 -23.753 -35.893 -6.708 1.00 22.54 O ATOM 1467 CB ILE A 96 -23.531 -36.957 -9.719 1.00 44.03 C ATOM 1468 CG1 ILE A 96 -24.921 -36.308 -9.571 1.00 70.20 C ATOM 1469 CG2 ILE A 96 -23.564 -38.083 -10.754 1.00 72.40 C ATOM 1470 CD1 ILE A 96 -25.471 -35.726 -10.858 1.00 75.51 C ATOM 0 H ILE A 96 -24.927 -38.165 -7.801 1.00 40.13 H new ATOM 0 HA ILE A 96 -22.073 -37.999 -8.520 1.00 41.53 H new ATOM 0 HB ILE A 96 -22.838 -36.191 -10.067 1.00 44.03 H new ATOM 0 HG12 ILE A 96 -25.620 -37.054 -9.194 1.00 70.20 H new ATOM 0 HG13 ILE A 96 -24.864 -35.518 -8.822 1.00 70.20 H new ATOM 0 HG21 ILE A 96 -23.923 -37.692 -11.706 1.00 72.40 H new ATOM 0 HG22 ILE A 96 -22.560 -38.488 -10.883 1.00 72.40 H new ATOM 0 HG23 ILE A 96 -24.233 -38.873 -10.411 1.00 72.40 H new ATOM 0 HD11 ILE A 96 -26.451 -35.289 -10.670 1.00 75.51 H new ATOM 0 HD12 ILE A 96 -24.794 -34.955 -11.227 1.00 75.51 H new ATOM 0 HD13 ILE A 96 -25.563 -36.515 -11.604 1.00 75.51 H new ATOM 1482 N PRO A 97 -21.572 -35.800 -7.270 1.00 41.14 N ATOM 1483 CA PRO A 97 -20.414 -36.285 -8.026 1.00 50.44 C ATOM 1484 C PRO A 97 -19.734 -37.469 -7.340 1.00 2.04 C ATOM 1485 O PRO A 97 -20.043 -37.802 -6.191 1.00 63.12 O ATOM 1486 CB PRO A 97 -19.494 -35.060 -8.034 1.00 4.13 C ATOM 1487 CG PRO A 97 -19.751 -34.400 -6.719 1.00 64.14 C ATOM 1488 CD PRO A 97 -21.198 -34.686 -6.371 1.00 35.15 C ATOM 0 HA PRO A 97 -20.678 -36.653 -9.018 1.00 50.44 H new ATOM 0 HB2 PRO A 97 -18.448 -35.348 -8.137 1.00 4.13 H new ATOM 0 HB3 PRO A 97 -19.725 -34.394 -8.866 1.00 4.13 H new ATOM 0 HG2 PRO A 97 -19.083 -34.790 -5.952 1.00 64.14 H new ATOM 0 HG3 PRO A 97 -19.572 -33.327 -6.782 1.00 64.14 H new ATOM 0 HD2 PRO A 97 -21.308 -34.965 -5.323 1.00 35.15 H new ATOM 0 HD3 PRO A 97 -21.828 -33.812 -6.536 1.00 35.15 H new ATOM 1496 N THR A 98 -18.814 -38.099 -8.050 1.00 51.24 N ATOM 1497 CA THR A 98 -18.046 -39.200 -7.503 1.00 74.00 C ATOM 1498 C THR A 98 -16.635 -39.169 -8.072 1.00 5.01 C ATOM 1499 O THR A 98 -16.401 -38.619 -9.152 1.00 43.51 O ATOM 1500 CB THR A 98 -18.708 -40.577 -7.780 1.00 21.00 C ATOM 1501 OG1 THR A 98 -18.004 -41.615 -7.081 1.00 33.40 O ATOM 1502 CG2 THR A 98 -18.726 -40.905 -9.267 1.00 73.42 C ATOM 0 H THR A 98 -18.581 -37.863 -9.014 1.00 51.24 H new ATOM 0 HA THR A 98 -18.012 -39.076 -6.421 1.00 74.00 H new ATOM 0 HB THR A 98 -19.737 -40.518 -7.426 1.00 21.00 H new ATOM 0 HG1 THR A 98 -17.594 -41.245 -6.271 1.00 33.40 H new ATOM 0 HG21 THR A 98 -19.197 -41.876 -9.420 1.00 73.42 H new ATOM 0 HG22 THR A 98 -19.290 -40.140 -9.801 1.00 73.42 H new ATOM 0 HG23 THR A 98 -17.704 -40.934 -9.646 1.00 73.42 H new ATOM 1510 N ILE A 99 -15.712 -39.754 -7.330 1.00 33.32 N ATOM 1511 CA ILE A 99 -14.300 -39.739 -7.669 1.00 62.41 C ATOM 1512 C ILE A 99 -13.802 -41.163 -7.882 1.00 30.42 C ATOM 1513 O ILE A 99 -13.742 -41.946 -6.935 1.00 23.12 O ATOM 1514 CB ILE A 99 -13.465 -39.084 -6.533 1.00 11.51 C ATOM 1515 CG1 ILE A 99 -13.905 -37.627 -6.290 1.00 44.42 C ATOM 1516 CG2 ILE A 99 -11.971 -39.153 -6.845 1.00 43.23 C ATOM 1517 CD1 ILE A 99 -13.695 -36.711 -7.476 1.00 13.43 C ATOM 0 H ILE A 99 -15.923 -40.257 -6.468 1.00 33.32 H new ATOM 0 HA ILE A 99 -14.180 -39.158 -8.583 1.00 62.41 H new ATOM 0 HB ILE A 99 -13.648 -39.648 -5.618 1.00 11.51 H new ATOM 0 HG12 ILE A 99 -14.961 -37.618 -6.021 1.00 44.42 H new ATOM 0 HG13 ILE A 99 -13.355 -37.230 -5.437 1.00 44.42 H new ATOM 0 HG21 ILE A 99 -11.408 -38.688 -6.035 1.00 43.23 H new ATOM 0 HG22 ILE A 99 -11.668 -40.195 -6.946 1.00 43.23 H new ATOM 0 HG23 ILE A 99 -11.769 -38.625 -7.777 1.00 43.23 H new ATOM 0 HD11 ILE A 99 -14.030 -35.705 -7.223 1.00 13.43 H new ATOM 0 HD12 ILE A 99 -12.636 -36.687 -7.734 1.00 13.43 H new ATOM 0 HD13 ILE A 99 -14.267 -37.080 -8.327 1.00 13.43 H new ATOM 1529 N LEU A 100 -13.476 -41.506 -9.123 1.00 43.14 N ATOM 1530 CA LEU A 100 -12.876 -42.803 -9.425 1.00 54.31 C ATOM 1531 C LEU A 100 -11.364 -42.640 -9.529 1.00 72.51 C ATOM 1532 O LEU A 100 -10.882 -41.844 -10.332 1.00 11.02 O ATOM 1533 CB LEU A 100 -13.428 -43.385 -10.743 1.00 62.44 C ATOM 1534 CG LEU A 100 -14.937 -43.705 -10.769 1.00 2.41 C ATOM 1535 CD1 LEU A 100 -15.774 -42.426 -10.780 1.00 3.04 C ATOM 1536 CD2 LEU A 100 -15.281 -44.582 -11.974 1.00 53.13 C ATOM 0 H LEU A 100 -13.616 -40.906 -9.936 1.00 43.14 H new ATOM 0 HA LEU A 100 -13.127 -43.496 -8.622 1.00 54.31 H new ATOM 0 HB2 LEU A 100 -13.214 -42.679 -11.545 1.00 62.44 H new ATOM 0 HB3 LEU A 100 -12.880 -44.300 -10.969 1.00 62.44 H new ATOM 0 HG LEU A 100 -15.177 -44.255 -9.859 1.00 2.41 H new ATOM 0 HD11 LEU A 100 -16.833 -42.684 -10.798 1.00 3.04 H new ATOM 0 HD12 LEU A 100 -15.558 -41.842 -9.885 1.00 3.04 H new ATOM 0 HD13 LEU A 100 -15.529 -41.838 -11.664 1.00 3.04 H new ATOM 0 HD21 LEU A 100 -16.350 -44.797 -11.975 1.00 53.13 H new ATOM 0 HD22 LEU A 100 -15.016 -44.059 -12.893 1.00 53.13 H new ATOM 0 HD23 LEU A 100 -14.723 -45.517 -11.915 1.00 53.13 H new ATOM 1548 N MET A 101 -10.614 -43.386 -8.730 1.00 11.43 N ATOM 1549 CA MET A 101 -9.163 -43.258 -8.722 1.00 4.10 C ATOM 1550 C MET A 101 -8.537 -44.254 -9.689 1.00 43.12 C ATOM 1551 O MET A 101 -9.091 -45.327 -9.935 1.00 65.12 O ATOM 1552 CB MET A 101 -8.590 -43.465 -7.306 1.00 31.24 C ATOM 1553 CG MET A 101 -9.172 -42.530 -6.254 1.00 63.31 C ATOM 1554 SD MET A 101 -8.169 -42.432 -4.757 1.00 12.02 S ATOM 1555 CE MET A 101 -8.894 -40.988 -3.981 1.00 54.53 C ATOM 0 H MET A 101 -10.983 -44.082 -8.082 1.00 11.43 H new ATOM 0 HA MET A 101 -8.917 -42.246 -9.043 1.00 4.10 H new ATOM 0 HB2 MET A 101 -8.771 -44.495 -7.000 1.00 31.24 H new ATOM 0 HB3 MET A 101 -7.509 -43.328 -7.340 1.00 31.24 H new ATOM 0 HG2 MET A 101 -9.275 -41.532 -6.681 1.00 63.31 H new ATOM 0 HG3 MET A 101 -10.174 -42.869 -5.991 1.00 63.31 H new ATOM 0 HE1 MET A 101 -8.175 -40.545 -3.292 1.00 54.53 H new ATOM 0 HE2 MET A 101 -9.160 -40.259 -4.746 1.00 54.53 H new ATOM 0 HE3 MET A 101 -9.789 -41.281 -3.432 1.00 54.53 H new ATOM 1565 N PHE A 102 -7.387 -43.889 -10.244 1.00 13.11 N ATOM 1566 CA PHE A 102 -6.613 -44.777 -11.112 1.00 71.35 C ATOM 1567 C PHE A 102 -5.123 -44.535 -10.894 1.00 34.00 C ATOM 1568 O PHE A 102 -4.711 -43.407 -10.623 1.00 61.02 O ATOM 1569 CB PHE A 102 -6.969 -44.555 -12.595 1.00 21.10 C ATOM 1570 CG PHE A 102 -8.377 -44.963 -12.955 1.00 2.32 C ATOM 1571 CD1 PHE A 102 -9.381 -44.013 -13.094 1.00 2.42 C ATOM 1572 CD2 PHE A 102 -8.699 -46.303 -13.140 1.00 24.22 C ATOM 1573 CE1 PHE A 102 -10.672 -44.389 -13.415 1.00 61.40 C ATOM 1574 CE2 PHE A 102 -9.989 -46.682 -13.461 1.00 73.14 C ATOM 1575 CZ PHE A 102 -10.977 -45.724 -13.595 1.00 3.41 C ATOM 0 H PHE A 102 -6.963 -42.971 -10.107 1.00 13.11 H new ATOM 0 HA PHE A 102 -6.859 -45.808 -10.856 1.00 71.35 H new ATOM 0 HB2 PHE A 102 -6.834 -43.501 -12.837 1.00 21.10 H new ATOM 0 HB3 PHE A 102 -6.269 -45.116 -13.214 1.00 21.10 H new ATOM 0 HD1 PHE A 102 -9.150 -42.968 -12.950 1.00 2.42 H new ATOM 0 HD2 PHE A 102 -7.933 -47.056 -13.032 1.00 24.22 H new ATOM 0 HE1 PHE A 102 -11.442 -43.639 -13.525 1.00 61.40 H new ATOM 0 HE2 PHE A 102 -10.225 -47.726 -13.607 1.00 73.14 H new ATOM 0 HZ PHE A 102 -11.986 -46.019 -13.840 1.00 3.41 H new ATOM 1585 N LYS A 103 -4.318 -45.589 -10.996 1.00 14.01 N ATOM 1586 CA LYS A 103 -2.867 -45.468 -10.823 1.00 2.12 C ATOM 1587 C LYS A 103 -2.149 -46.382 -11.807 1.00 22.12 C ATOM 1588 O LYS A 103 -2.363 -47.585 -11.792 1.00 72.21 O ATOM 1589 CB LYS A 103 -2.474 -45.800 -9.374 1.00 74.24 C ATOM 1590 CG LYS A 103 -0.982 -45.678 -9.079 1.00 43.03 C ATOM 1591 CD LYS A 103 -0.685 -45.760 -7.578 1.00 41.12 C ATOM 1592 CE LYS A 103 -1.158 -47.075 -6.960 1.00 53.33 C ATOM 1593 NZ LYS A 103 -0.906 -47.121 -5.493 1.00 71.52 N1+ ATOM 0 H LYS A 103 -4.641 -46.535 -11.197 1.00 14.01 H new ATOM 0 HA LYS A 103 -2.567 -44.440 -11.027 1.00 2.12 H new ATOM 0 HB2 LYS A 103 -3.020 -45.137 -8.702 1.00 74.24 H new ATOM 0 HB3 LYS A 103 -2.794 -46.817 -9.148 1.00 74.24 H new ATOM 0 HG2 LYS A 103 -0.444 -46.470 -9.599 1.00 43.03 H new ATOM 0 HG3 LYS A 103 -0.611 -44.731 -9.471 1.00 43.03 H new ATOM 0 HD2 LYS A 103 0.387 -45.651 -7.416 1.00 41.12 H new ATOM 0 HD3 LYS A 103 -1.170 -44.927 -7.069 1.00 41.12 H new ATOM 0 HE2 LYS A 103 -2.224 -47.203 -7.150 1.00 53.33 H new ATOM 0 HE3 LYS A 103 -0.646 -47.908 -7.443 1.00 53.33 H new ATOM 0 HZ1 LYS A 103 -1.162 -48.060 -5.126 1.00 71.52 H new ATOM 0 HZ2 LYS A 103 0.101 -46.940 -5.308 1.00 71.52 H new ATOM 0 HZ3 LYS A 103 -1.481 -46.395 -5.019 1.00 71.52 H new ATOM 1607 N ASN A 104 -1.326 -45.780 -12.674 1.00 41.43 N ATOM 1608 CA ASN A 104 -0.576 -46.491 -13.733 1.00 72.22 C ATOM 1609 C ASN A 104 -1.486 -47.391 -14.580 1.00 0.14 C ATOM 1610 O ASN A 104 -1.027 -48.340 -15.223 1.00 72.20 O ATOM 1611 CB ASN A 104 0.630 -47.276 -13.157 1.00 20.21 C ATOM 1612 CG ASN A 104 0.281 -48.552 -12.395 1.00 24.30 C ATOM 1613 OD1 ASN A 104 -0.667 -49.269 -12.719 1.00 10.43 O ATOM 1614 ND2 ASN A 104 1.059 -48.848 -11.367 1.00 31.24 N ATOM 0 H ASN A 104 -1.156 -44.774 -12.665 1.00 41.43 H new ATOM 0 HA ASN A 104 -0.175 -45.728 -14.400 1.00 72.22 H new ATOM 0 HB2 ASN A 104 1.298 -47.535 -13.978 1.00 20.21 H new ATOM 0 HB3 ASN A 104 1.186 -46.616 -12.491 1.00 20.21 H new ATOM 0 HD21 ASN A 104 0.881 -49.689 -10.819 1.00 31.24 H new ATOM 0 HD22 ASN A 104 1.837 -48.235 -11.123 1.00 31.24 H new ATOM 1621 N GLY A 105 -2.766 -47.035 -14.633 1.00 32.31 N ATOM 1622 CA GLY A 105 -3.741 -47.814 -15.382 1.00 42.31 C ATOM 1623 C GLY A 105 -4.467 -48.844 -14.529 1.00 34.43 C ATOM 1624 O GLY A 105 -5.492 -49.386 -14.950 1.00 43.11 O ATOM 0 H GLY A 105 -3.150 -46.213 -14.166 1.00 32.31 H new ATOM 0 HA2 GLY A 105 -4.472 -47.139 -15.826 1.00 42.31 H new ATOM 0 HA3 GLY A 105 -3.237 -48.322 -16.204 1.00 42.31 H new ATOM 1628 N LYS A 106 -3.944 -49.120 -13.337 1.00 12.22 N ATOM 1629 CA LYS A 106 -4.607 -50.020 -12.392 1.00 63.04 C ATOM 1630 C LYS A 106 -5.834 -49.338 -11.777 1.00 35.11 C ATOM 1631 O LYS A 106 -5.816 -48.126 -11.512 1.00 44.30 O ATOM 1632 CB LYS A 106 -3.624 -50.461 -11.289 1.00 13.01 C ATOM 1633 CG LYS A 106 -4.266 -51.263 -10.155 1.00 24.15 C ATOM 1634 CD LYS A 106 -4.977 -52.516 -10.661 1.00 53.23 C ATOM 1635 CE LYS A 106 -5.770 -53.203 -9.552 1.00 13.04 C ATOM 1636 NZ LYS A 106 -6.611 -54.309 -10.078 1.00 41.10 N1+ ATOM 0 H LYS A 106 -3.062 -48.734 -13.001 1.00 12.22 H new ATOM 0 HA LYS A 106 -4.939 -50.907 -12.932 1.00 63.04 H new ATOM 0 HB2 LYS A 106 -2.835 -51.062 -11.741 1.00 13.01 H new ATOM 0 HB3 LYS A 106 -3.148 -49.575 -10.868 1.00 13.01 H new ATOM 0 HG2 LYS A 106 -3.499 -51.549 -9.436 1.00 24.15 H new ATOM 0 HG3 LYS A 106 -4.980 -50.632 -9.626 1.00 24.15 H new ATOM 0 HD2 LYS A 106 -5.649 -52.249 -11.477 1.00 53.23 H new ATOM 0 HD3 LYS A 106 -4.243 -53.212 -11.068 1.00 53.23 H new ATOM 0 HE2 LYS A 106 -5.082 -53.594 -8.802 1.00 13.04 H new ATOM 0 HE3 LYS A 106 -6.404 -52.471 -9.052 1.00 13.04 H new ATOM 0 HZ1 LYS A 106 -7.134 -54.750 -9.295 1.00 41.10 H new ATOM 0 HZ2 LYS A 106 -7.285 -53.932 -10.775 1.00 41.10 H new ATOM 0 HZ3 LYS A 106 -6.004 -55.020 -10.533 1.00 41.10 H new ATOM 1650 N LYS A 107 -6.899 -50.124 -11.577 1.00 44.23 N ATOM 1651 CA LYS A 107 -8.136 -49.627 -10.981 1.00 71.41 C ATOM 1652 C LYS A 107 -7.908 -49.291 -9.503 1.00 52.45 C ATOM 1653 O LYS A 107 -7.492 -50.139 -8.713 1.00 11.33 O ATOM 1654 CB LYS A 107 -9.264 -50.672 -11.129 1.00 63.10 C ATOM 1655 CG LYS A 107 -10.673 -50.083 -11.279 1.00 42.24 C ATOM 1656 CD LYS A 107 -11.061 -49.173 -10.112 1.00 71.43 C ATOM 1657 CE LYS A 107 -12.470 -48.604 -10.261 1.00 14.53 C ATOM 1658 NZ LYS A 107 -13.521 -49.632 -10.037 1.00 70.01 N1+ ATOM 0 H LYS A 107 -6.924 -51.114 -11.823 1.00 44.23 H new ATOM 0 HA LYS A 107 -8.438 -48.720 -11.504 1.00 71.41 H new ATOM 0 HB2 LYS A 107 -9.051 -51.294 -11.998 1.00 63.10 H new ATOM 0 HB3 LYS A 107 -9.250 -51.326 -10.257 1.00 63.10 H new ATOM 0 HG2 LYS A 107 -10.729 -49.517 -12.209 1.00 42.24 H new ATOM 0 HG3 LYS A 107 -11.395 -50.896 -11.356 1.00 42.24 H new ATOM 0 HD2 LYS A 107 -10.995 -49.734 -9.180 1.00 71.43 H new ATOM 0 HD3 LYS A 107 -10.347 -48.353 -10.041 1.00 71.43 H new ATOM 0 HE2 LYS A 107 -12.607 -47.788 -9.552 1.00 14.53 H new ATOM 0 HE3 LYS A 107 -12.585 -48.182 -11.259 1.00 14.53 H new ATOM 0 HZ1 LYS A 107 -14.460 -49.195 -10.132 1.00 70.01 H new ATOM 0 HZ2 LYS A 107 -13.420 -50.391 -10.741 1.00 70.01 H new ATOM 0 HZ3 LYS A 107 -13.419 -50.030 -9.081 1.00 70.01 H new ATOM 1672 N LEU A 108 -8.182 -48.046 -9.160 1.00 60.01 N ATOM 1673 CA LEU A 108 -8.026 -47.512 -7.811 1.00 60.42 C ATOM 1674 C LEU A 108 -9.383 -47.056 -7.276 1.00 41.03 C ATOM 1675 O LEU A 108 -10.359 -46.986 -8.023 1.00 12.22 O ATOM 1676 CB LEU A 108 -6.970 -46.398 -7.753 1.00 52.31 C ATOM 1677 CG LEU A 108 -5.544 -46.858 -7.398 1.00 61.41 C ATOM 1678 CD1 LEU A 108 -5.513 -47.465 -6.000 1.00 21.14 C ATOM 1679 CD2 LEU A 108 -5.013 -47.854 -8.426 1.00 11.12 C ATOM 0 H LEU A 108 -8.529 -47.356 -9.827 1.00 60.01 H new ATOM 0 HA LEU A 108 -7.655 -48.306 -7.163 1.00 60.42 H new ATOM 0 HB2 LEU A 108 -6.942 -45.897 -8.721 1.00 52.31 H new ATOM 0 HB3 LEU A 108 -7.288 -45.657 -7.019 1.00 52.31 H new ATOM 0 HG LEU A 108 -4.895 -45.983 -7.413 1.00 61.41 H new ATOM 0 HD11 LEU A 108 -4.498 -47.785 -5.765 1.00 21.14 H new ATOM 0 HD12 LEU A 108 -5.836 -46.720 -5.273 1.00 21.14 H new ATOM 0 HD13 LEU A 108 -6.182 -48.324 -5.962 1.00 21.14 H new ATOM 0 HD21 LEU A 108 -4.004 -48.160 -8.148 1.00 11.12 H new ATOM 0 HD22 LEU A 108 -5.663 -48.729 -8.455 1.00 11.12 H new ATOM 0 HD23 LEU A 108 -4.992 -47.385 -9.410 1.00 11.12 H new ATOM 1691 N SER A 109 -9.446 -46.761 -5.987 1.00 60.43 N ATOM 1692 CA SER A 109 -10.700 -46.740 -5.240 1.00 11.20 C ATOM 1693 C SER A 109 -11.608 -45.573 -5.647 1.00 20.34 C ATOM 1694 O SER A 109 -11.193 -44.650 -6.339 1.00 72.41 O ATOM 1695 CB SER A 109 -10.350 -46.592 -3.751 1.00 32.42 C ATOM 1696 OG SER A 109 -10.778 -47.715 -2.995 1.00 42.25 O ATOM 0 H SER A 109 -8.627 -46.528 -5.425 1.00 60.43 H new ATOM 0 HA SER A 109 -11.241 -47.662 -5.450 1.00 11.20 H new ATOM 0 HB2 SER A 109 -9.273 -46.469 -3.641 1.00 32.42 H new ATOM 0 HB3 SER A 109 -10.816 -45.689 -3.356 1.00 32.42 H new ATOM 0 HG SER A 109 -10.537 -47.587 -2.054 1.00 42.25 H new ATOM 1702 N GLN A 110 -12.865 -45.646 -5.210 1.00 61.23 N ATOM 1703 CA GLN A 110 -13.887 -44.680 -5.599 1.00 74.54 C ATOM 1704 C GLN A 110 -14.607 -44.129 -4.395 1.00 60.21 C ATOM 1705 O GLN A 110 -14.962 -44.846 -3.456 1.00 10.33 O ATOM 1706 CB GLN A 110 -14.873 -45.322 -6.592 1.00 11.44 C ATOM 1707 CG GLN A 110 -16.080 -44.452 -6.942 1.00 71.21 C ATOM 1708 CD GLN A 110 -17.009 -45.106 -7.956 1.00 13.41 C ATOM 1709 OE1 GLN A 110 -17.079 -46.333 -8.063 1.00 25.31 O ATOM 1710 NE2 GLN A 110 -17.751 -44.291 -8.687 1.00 4.42 N ATOM 0 H GLN A 110 -13.201 -46.374 -4.579 1.00 61.23 H new ATOM 0 HA GLN A 110 -13.396 -43.842 -6.093 1.00 74.54 H new ATOM 0 HB2 GLN A 110 -14.338 -45.564 -7.510 1.00 11.44 H new ATOM 0 HB3 GLN A 110 -15.229 -46.263 -6.173 1.00 11.44 H new ATOM 0 HG2 GLN A 110 -16.640 -44.233 -6.033 1.00 71.21 H new ATOM 0 HG3 GLN A 110 -15.731 -43.499 -7.339 1.00 71.21 H new ATOM 0 HE21 GLN A 110 -17.666 -43.281 -8.571 1.00 4.42 H new ATOM 0 HE22 GLN A 110 -18.409 -44.672 -9.367 1.00 4.42 H new ATOM 1719 N VAL A 111 -14.798 -42.827 -4.454 1.00 70.11 N ATOM 1720 CA VAL A 111 -15.373 -42.058 -3.385 1.00 60.35 C ATOM 1721 C VAL A 111 -16.641 -41.365 -3.877 1.00 22.32 C ATOM 1722 O VAL A 111 -16.602 -40.615 -4.852 1.00 33.31 O ATOM 1723 CB VAL A 111 -14.358 -41.004 -2.902 1.00 32.14 C ATOM 1724 CG1 VAL A 111 -14.921 -40.257 -1.721 1.00 22.02 C ATOM 1725 CG2 VAL A 111 -13.011 -41.645 -2.557 1.00 44.03 C ATOM 0 H VAL A 111 -14.549 -42.267 -5.269 1.00 70.11 H new ATOM 0 HA VAL A 111 -15.624 -42.721 -2.557 1.00 60.35 H new ATOM 0 HB VAL A 111 -14.180 -40.297 -3.712 1.00 32.14 H new ATOM 0 HG11 VAL A 111 -14.199 -39.513 -1.383 1.00 22.02 H new ATOM 0 HG12 VAL A 111 -15.846 -39.759 -2.013 1.00 22.02 H new ATOM 0 HG13 VAL A 111 -15.126 -40.957 -0.911 1.00 22.02 H new ATOM 0 HG21 VAL A 111 -12.317 -40.875 -2.220 1.00 44.03 H new ATOM 0 HG22 VAL A 111 -13.150 -42.380 -1.764 1.00 44.03 H new ATOM 0 HG23 VAL A 111 -12.605 -42.137 -3.441 1.00 44.03 H new ATOM 1735 N ILE A 112 -17.763 -41.633 -3.226 1.00 51.33 N ATOM 1736 CA ILE A 112 -19.044 -41.065 -3.635 1.00 62.14 C ATOM 1737 C ILE A 112 -19.481 -39.983 -2.651 1.00 15.21 C ATOM 1738 O ILE A 112 -19.408 -40.174 -1.435 1.00 22.02 O ATOM 1739 CB ILE A 112 -20.139 -42.159 -3.727 1.00 32.24 C ATOM 1740 CG1 ILE A 112 -19.693 -43.290 -4.673 1.00 3.11 C ATOM 1741 CG2 ILE A 112 -21.466 -41.560 -4.193 1.00 52.53 C ATOM 1742 CD1 ILE A 112 -20.679 -44.437 -4.761 1.00 61.34 C ATOM 0 H ILE A 112 -17.815 -42.242 -2.409 1.00 51.33 H new ATOM 0 HA ILE A 112 -18.913 -40.624 -4.623 1.00 62.14 H new ATOM 0 HB ILE A 112 -20.287 -42.579 -2.732 1.00 32.24 H new ATOM 0 HG12 ILE A 112 -19.539 -42.878 -5.670 1.00 3.11 H new ATOM 0 HG13 ILE A 112 -18.731 -43.675 -4.336 1.00 3.11 H new ATOM 0 HG21 ILE A 112 -22.220 -42.345 -4.250 1.00 52.53 H new ATOM 0 HG22 ILE A 112 -21.790 -40.798 -3.485 1.00 52.53 H new ATOM 0 HG23 ILE A 112 -21.336 -41.109 -5.177 1.00 52.53 H new ATOM 0 HD11 ILE A 112 -20.296 -45.194 -5.445 1.00 61.34 H new ATOM 0 HD12 ILE A 112 -20.815 -44.876 -3.773 1.00 61.34 H new ATOM 0 HD13 ILE A 112 -21.636 -44.067 -5.128 1.00 61.34 H new ATOM 1754 N GLY A 113 -19.919 -38.845 -3.184 1.00 41.41 N ATOM 1755 CA GLY A 113 -20.379 -37.750 -2.351 1.00 14.45 C ATOM 1756 C GLY A 113 -19.287 -36.736 -2.072 1.00 3.03 C ATOM 1757 O GLY A 113 -18.111 -36.983 -2.349 1.00 60.32 O ATOM 0 H GLY A 113 -19.963 -38.663 -4.187 1.00 41.41 H new ATOM 0 HA2 GLY A 113 -21.216 -37.252 -2.840 1.00 14.45 H new ATOM 0 HA3 GLY A 113 -20.752 -38.147 -1.407 1.00 14.45 H new ATOM 1761 N ALA A 114 -19.676 -35.590 -1.527 1.00 12.52 N ATOM 1762 CA ALA A 114 -18.744 -34.516 -1.236 1.00 24.52 C ATOM 1763 C ALA A 114 -18.219 -34.623 0.196 1.00 0.33 C ATOM 1764 O ALA A 114 -18.901 -34.233 1.146 1.00 33.13 O ATOM 1765 CB ALA A 114 -19.424 -33.171 -1.463 1.00 15.11 C ATOM 0 H ALA A 114 -20.643 -35.383 -1.276 1.00 12.52 H new ATOM 0 HA ALA A 114 -17.890 -34.599 -1.909 1.00 24.52 H new ATOM 0 HB1 ALA A 114 -18.722 -32.367 -1.244 1.00 15.11 H new ATOM 0 HB2 ALA A 114 -19.747 -33.097 -2.501 1.00 15.11 H new ATOM 0 HB3 ALA A 114 -20.290 -33.086 -0.806 1.00 15.11 H new ATOM 1771 N ASP A 115 -17.022 -35.183 0.343 1.00 64.24 N ATOM 1772 CA ASP A 115 -16.353 -35.262 1.644 1.00 1.22 C ATOM 1773 C ASP A 115 -14.850 -35.070 1.458 1.00 22.24 C ATOM 1774 O ASP A 115 -14.134 -35.998 1.066 1.00 33.32 O ATOM 1775 CB ASP A 115 -16.634 -36.604 2.337 1.00 64.14 C ATOM 1776 CG ASP A 115 -16.258 -36.584 3.815 1.00 52.23 C ATOM 1777 OD1 ASP A 115 -15.074 -36.367 4.141 1.00 51.14 O ATOM 1778 OD2 ASP A 115 -17.154 -36.786 4.663 1.00 30.13 O1- ATOM 0 H ASP A 115 -16.490 -35.592 -0.426 1.00 64.24 H new ATOM 0 HA ASP A 115 -16.747 -34.470 2.282 1.00 1.22 H new ATOM 0 HB2 ASP A 115 -17.692 -36.847 2.237 1.00 64.14 H new ATOM 0 HB3 ASP A 115 -16.076 -37.394 1.834 1.00 64.14 H new ATOM 1783 N ILE A 116 -14.380 -33.860 1.742 1.00 10.14 N ATOM 1784 CA ILE A 116 -12.998 -33.484 1.473 1.00 23.23 C ATOM 1785 C ILE A 116 -12.014 -34.332 2.288 1.00 50.32 C ATOM 1786 O ILE A 116 -10.966 -34.736 1.782 1.00 24.53 O ATOM 1787 CB ILE A 116 -12.764 -31.971 1.745 1.00 35.22 C ATOM 1788 CG1 ILE A 116 -11.340 -31.555 1.337 1.00 23.43 C ATOM 1789 CG2 ILE A 116 -13.036 -31.622 3.207 1.00 34.43 C ATOM 1790 CD1 ILE A 116 -11.052 -31.743 -0.138 1.00 62.15 C ATOM 0 H ILE A 116 -14.941 -33.119 2.161 1.00 10.14 H new ATOM 0 HA ILE A 116 -12.813 -33.676 0.416 1.00 23.23 H new ATOM 0 HB ILE A 116 -13.470 -31.410 1.133 1.00 35.22 H new ATOM 0 HG12 ILE A 116 -11.188 -30.508 1.598 1.00 23.43 H new ATOM 0 HG13 ILE A 116 -10.621 -32.135 1.916 1.00 23.43 H new ATOM 0 HG21 ILE A 116 -12.864 -30.557 3.365 1.00 34.43 H new ATOM 0 HG22 ILE A 116 -14.071 -31.862 3.452 1.00 34.43 H new ATOM 0 HG23 ILE A 116 -12.368 -32.197 3.849 1.00 34.43 H new ATOM 0 HD11 ILE A 116 -10.030 -31.429 -0.352 1.00 62.15 H new ATOM 0 HD12 ILE A 116 -11.171 -32.794 -0.401 1.00 62.15 H new ATOM 0 HD13 ILE A 116 -11.747 -31.141 -0.724 1.00 62.15 H new ATOM 1802 N SER A 117 -12.374 -34.628 3.534 1.00 64.32 N ATOM 1803 CA SER A 117 -11.506 -35.396 4.422 1.00 24.52 C ATOM 1804 C SER A 117 -11.354 -36.828 3.902 1.00 72.20 C ATOM 1805 O SER A 117 -10.247 -37.381 3.866 1.00 63.13 O ATOM 1806 CB SER A 117 -12.075 -35.390 5.848 1.00 2.24 C ATOM 1807 OG SER A 117 -11.211 -36.053 6.761 1.00 54.32 O ATOM 0 H SER A 117 -13.261 -34.348 3.952 1.00 64.32 H new ATOM 0 HA SER A 117 -10.519 -34.934 4.444 1.00 24.52 H new ATOM 0 HB2 SER A 117 -12.229 -34.361 6.174 1.00 2.24 H new ATOM 0 HB3 SER A 117 -13.051 -35.875 5.853 1.00 2.24 H new ATOM 0 HG SER A 117 -11.603 -36.029 7.659 1.00 54.32 H new ATOM 1813 N LYS A 118 -12.470 -37.412 3.480 1.00 24.02 N ATOM 1814 CA LYS A 118 -12.475 -38.757 2.922 1.00 23.25 C ATOM 1815 C LYS A 118 -11.614 -38.811 1.663 1.00 51.14 C ATOM 1816 O LYS A 118 -10.770 -39.696 1.513 1.00 44.54 O ATOM 1817 CB LYS A 118 -13.912 -39.199 2.604 1.00 55.14 C ATOM 1818 CG LYS A 118 -14.014 -40.557 1.908 1.00 21.34 C ATOM 1819 CD LYS A 118 -13.483 -41.695 2.778 1.00 32.24 C ATOM 1820 CE LYS A 118 -13.538 -43.037 2.052 1.00 45.55 C ATOM 1821 NZ LYS A 118 -14.929 -43.424 1.691 1.00 20.35 N1+ ATOM 0 H LYS A 118 -13.389 -36.970 3.515 1.00 24.02 H new ATOM 0 HA LYS A 118 -12.057 -39.441 3.660 1.00 23.25 H new ATOM 0 HB2 LYS A 118 -14.482 -39.236 3.532 1.00 55.14 H new ATOM 0 HB3 LYS A 118 -14.380 -38.444 1.972 1.00 55.14 H new ATOM 0 HG2 LYS A 118 -15.055 -40.754 1.651 1.00 21.34 H new ATOM 0 HG3 LYS A 118 -13.455 -40.526 0.973 1.00 21.34 H new ATOM 0 HD2 LYS A 118 -12.454 -41.481 3.069 1.00 32.24 H new ATOM 0 HD3 LYS A 118 -14.068 -41.754 3.696 1.00 32.24 H new ATOM 0 HE2 LYS A 118 -12.931 -42.984 1.148 1.00 45.55 H new ATOM 0 HE3 LYS A 118 -13.101 -43.809 2.685 1.00 45.55 H new ATOM 0 HZ1 LYS A 118 -14.937 -44.403 1.340 1.00 20.35 H new ATOM 0 HZ2 LYS A 118 -15.538 -43.352 2.531 1.00 20.35 H new ATOM 0 HZ3 LYS A 118 -15.285 -42.787 0.950 1.00 20.35 H new ATOM 1835 N ILE A 119 -11.825 -37.847 0.770 1.00 22.14 N ATOM 1836 CA ILE A 119 -11.110 -37.812 -0.501 1.00 2.21 C ATOM 1837 C ILE A 119 -9.599 -37.673 -0.292 1.00 62.22 C ATOM 1838 O ILE A 119 -8.820 -38.410 -0.892 1.00 24.10 O ATOM 1839 CB ILE A 119 -11.626 -36.670 -1.416 1.00 43.35 C ATOM 1840 CG1 ILE A 119 -13.124 -36.861 -1.712 1.00 44.33 C ATOM 1841 CG2 ILE A 119 -10.826 -36.623 -2.719 1.00 11.44 C ATOM 1842 CD1 ILE A 119 -13.744 -35.750 -2.538 1.00 40.14 C ATOM 0 H ILE A 119 -12.485 -37.081 0.904 1.00 22.14 H new ATOM 0 HA ILE A 119 -11.304 -38.763 -0.996 1.00 2.21 H new ATOM 0 HB ILE A 119 -11.491 -35.721 -0.896 1.00 43.35 H new ATOM 0 HG12 ILE A 119 -13.261 -37.807 -2.236 1.00 44.33 H new ATOM 0 HG13 ILE A 119 -13.662 -36.939 -0.767 1.00 44.33 H new ATOM 0 HG21 ILE A 119 -11.202 -35.816 -3.348 1.00 11.44 H new ATOM 0 HG22 ILE A 119 -9.774 -36.448 -2.494 1.00 11.44 H new ATOM 0 HG23 ILE A 119 -10.931 -37.572 -3.245 1.00 11.44 H new ATOM 0 HD11 ILE A 119 -14.801 -35.963 -2.700 1.00 40.14 H new ATOM 0 HD12 ILE A 119 -13.642 -34.803 -2.008 1.00 40.14 H new ATOM 0 HD13 ILE A 119 -13.235 -35.684 -3.500 1.00 40.14 H new ATOM 1854 N ILE A 120 -9.188 -36.742 0.572 1.00 71.14 N ATOM 1855 CA ILE A 120 -7.762 -36.502 0.821 1.00 1.52 C ATOM 1856 C ILE A 120 -7.124 -37.732 1.478 1.00 44.53 C ATOM 1857 O ILE A 120 -6.009 -38.156 1.111 1.00 2.32 O ATOM 1858 CB ILE A 120 -7.540 -35.219 1.683 1.00 41.41 C ATOM 1859 CG1 ILE A 120 -6.052 -34.791 1.708 1.00 72.14 C ATOM 1860 CG2 ILE A 120 -8.064 -35.410 3.105 1.00 5.22 C ATOM 1861 CD1 ILE A 120 -5.235 -35.403 2.830 1.00 43.13 C ATOM 0 H ILE A 120 -9.817 -36.145 1.109 1.00 71.14 H new ATOM 0 HA ILE A 120 -7.273 -36.332 -0.138 1.00 1.52 H new ATOM 0 HB ILE A 120 -8.109 -34.418 1.211 1.00 41.41 H new ATOM 0 HG12 ILE A 120 -5.595 -35.060 0.756 1.00 72.14 H new ATOM 0 HG13 ILE A 120 -6.002 -33.705 1.791 1.00 72.14 H new ATOM 0 HG21 ILE A 120 -7.895 -34.500 3.680 1.00 5.22 H new ATOM 0 HG22 ILE A 120 -9.132 -35.626 3.073 1.00 5.22 H new ATOM 0 HG23 ILE A 120 -7.540 -36.241 3.578 1.00 5.22 H new ATOM 0 HD11 ILE A 120 -4.207 -35.046 2.768 1.00 43.13 H new ATOM 0 HD12 ILE A 120 -5.662 -35.114 3.790 1.00 43.13 H new ATOM 0 HD13 ILE A 120 -5.248 -36.489 2.739 1.00 43.13 H new ATOM 1873 N SER A 121 -7.849 -38.324 2.429 1.00 33.33 N ATOM 1874 CA SER A 121 -7.410 -39.549 3.077 1.00 32.12 C ATOM 1875 C SER A 121 -7.162 -40.621 2.022 1.00 12.31 C ATOM 1876 O SER A 121 -6.131 -41.292 2.037 1.00 23.30 O ATOM 1877 CB SER A 121 -8.458 -40.028 4.092 1.00 43.12 C ATOM 1878 OG SER A 121 -8.040 -41.214 4.750 1.00 42.33 O ATOM 0 H SER A 121 -8.745 -37.969 2.764 1.00 33.33 H new ATOM 0 HA SER A 121 -6.482 -39.354 3.615 1.00 32.12 H new ATOM 0 HB2 SER A 121 -8.637 -39.245 4.829 1.00 43.12 H new ATOM 0 HB3 SER A 121 -9.405 -40.208 3.582 1.00 43.12 H new ATOM 0 HG SER A 121 -8.728 -41.492 5.390 1.00 42.33 H new ATOM 1884 N GLU A 122 -8.101 -40.748 1.088 1.00 14.44 N ATOM 1885 CA GLU A 122 -7.982 -41.725 0.017 1.00 72.13 C ATOM 1886 C GLU A 122 -6.884 -41.340 -0.972 1.00 73.04 C ATOM 1887 O GLU A 122 -6.240 -42.215 -1.541 1.00 20.21 O ATOM 1888 CB GLU A 122 -9.323 -41.921 -0.700 1.00 32.23 C ATOM 1889 CG GLU A 122 -10.322 -42.752 0.095 1.00 71.24 C ATOM 1890 CD GLU A 122 -9.766 -44.120 0.469 1.00 22.22 C ATOM 1891 OE1 GLU A 122 -9.665 -44.994 -0.421 1.00 61.24 O ATOM 1892 OE2 GLU A 122 -9.415 -44.328 1.649 1.00 70.43 O1- ATOM 0 H GLU A 122 -8.951 -40.185 1.054 1.00 14.44 H new ATOM 0 HA GLU A 122 -7.699 -42.675 0.469 1.00 72.13 H new ATOM 0 HB2 GLU A 122 -9.760 -40.945 -0.909 1.00 32.23 H new ATOM 0 HB3 GLU A 122 -9.145 -42.403 -1.661 1.00 32.23 H new ATOM 0 HG2 GLU A 122 -10.599 -42.214 1.002 1.00 71.24 H new ATOM 0 HG3 GLU A 122 -11.233 -42.880 -0.490 1.00 71.24 H new ATOM 1899 N ILE A 123 -6.660 -40.042 -1.186 1.00 11.43 N ATOM 1900 CA ILE A 123 -5.538 -39.602 -2.009 1.00 32.41 C ATOM 1901 C ILE A 123 -4.254 -40.210 -1.460 1.00 5.24 C ATOM 1902 O ILE A 123 -3.539 -40.912 -2.169 1.00 71.51 O ATOM 1903 CB ILE A 123 -5.411 -38.051 -2.066 1.00 73.41 C ATOM 1904 CG1 ILE A 123 -6.562 -37.444 -2.886 1.00 51.34 C ATOM 1905 CG2 ILE A 123 -4.062 -37.632 -2.653 1.00 71.34 C ATOM 1906 CD1 ILE A 123 -6.665 -35.940 -2.775 1.00 15.35 C ATOM 0 H ILE A 123 -7.233 -39.289 -0.806 1.00 11.43 H new ATOM 0 HA ILE A 123 -5.717 -39.941 -3.029 1.00 32.41 H new ATOM 0 HB ILE A 123 -5.471 -37.672 -1.046 1.00 73.41 H new ATOM 0 HG12 ILE A 123 -6.430 -37.713 -3.934 1.00 51.34 H new ATOM 0 HG13 ILE A 123 -7.502 -37.888 -2.559 1.00 51.34 H new ATOM 0 HG21 ILE A 123 -4.000 -36.544 -2.681 1.00 71.34 H new ATOM 0 HG22 ILE A 123 -3.257 -38.026 -2.032 1.00 71.34 H new ATOM 0 HG23 ILE A 123 -3.967 -38.027 -3.664 1.00 71.34 H new ATOM 0 HD11 ILE A 123 -7.500 -35.587 -3.381 1.00 15.35 H new ATOM 0 HD12 ILE A 123 -6.829 -35.662 -1.734 1.00 15.35 H new ATOM 0 HD13 ILE A 123 -5.741 -35.485 -3.130 1.00 15.35 H new ATOM 1918 N ASN A 124 -3.994 -39.980 -0.175 1.00 61.24 N ATOM 1919 CA ASN A 124 -2.788 -40.526 0.463 1.00 42.31 C ATOM 1920 C ASN A 124 -2.851 -42.051 0.544 1.00 20.40 C ATOM 1921 O ASN A 124 -1.835 -42.734 0.386 1.00 70.22 O ATOM 1922 CB ASN A 124 -2.590 -39.928 1.864 1.00 5.10 C ATOM 1923 CG ASN A 124 -2.369 -38.424 1.835 1.00 40.22 C ATOM 1924 OD1 ASN A 124 -3.442 -37.660 1.968 1.00 31.24 O flip ATOM 1925 ND2 ASN A 124 -1.239 -37.951 1.702 1.00 15.41 N flip ATOM 0 H ASN A 124 -4.590 -39.428 0.442 1.00 61.24 H new ATOM 0 HA ASN A 124 -1.934 -40.250 -0.156 1.00 42.31 H new ATOM 0 HB2 ASN A 124 -3.464 -40.151 2.476 1.00 5.10 H new ATOM 0 HB3 ASN A 124 -1.735 -40.407 2.342 1.00 5.10 H new ATOM 0 HD21 ASN A 124 -0.435 -38.571 1.602 1.00 15.41 H new ATOM 0 HD22 ASN A 124 -1.107 -36.940 1.692 1.00 15.41 H new ATOM 1932 N ASN A 125 -4.050 -42.578 0.774 1.00 31.14 N ATOM 1933 CA ASN A 125 -4.260 -44.023 0.896 1.00 72.20 C ATOM 1934 C ASN A 125 -3.924 -44.744 -0.407 1.00 71.23 C ATOM 1935 O ASN A 125 -3.302 -45.805 -0.396 1.00 34.51 O ATOM 1936 CB ASN A 125 -5.717 -44.316 1.283 1.00 65.54 C ATOM 1937 CG ASN A 125 -6.026 -45.805 1.372 1.00 44.14 C ATOM 1938 OD1 ASN A 125 -7.241 -46.180 0.999 1.00 32.44 O flip ATOM 1939 ND2 ASN A 125 -5.187 -46.612 1.777 1.00 44.23 N flip ATOM 0 H ASN A 125 -4.899 -42.023 0.881 1.00 31.14 H new ATOM 0 HA ASN A 125 -3.593 -44.391 1.676 1.00 72.20 H new ATOM 0 HB2 ASN A 125 -5.932 -43.849 2.244 1.00 65.54 H new ATOM 0 HB3 ASN A 125 -6.380 -43.857 0.550 1.00 65.54 H new ATOM 0 HD21 ASN A 125 -4.261 -46.288 2.056 1.00 44.23 H new ATOM 0 HD22 ASN A 125 -5.419 -47.604 1.833 1.00 44.23 H new ATOM 1946 N ASN A 126 -4.336 -44.162 -1.529 1.00 24.21 N ATOM 1947 CA ASN A 126 -4.180 -44.810 -2.831 1.00 34.20 C ATOM 1948 C ASN A 126 -2.883 -44.378 -3.527 1.00 61.32 C ATOM 1949 O ASN A 126 -2.455 -45.016 -4.497 1.00 63.21 O ATOM 1950 CB ASN A 126 -5.407 -44.544 -3.722 1.00 71.20 C ATOM 1951 CG ASN A 126 -6.679 -45.201 -3.182 1.00 53.32 C ATOM 1952 OD1 ASN A 126 -6.947 -46.377 -3.436 1.00 60.30 O ATOM 1953 ND2 ASN A 126 -7.489 -44.443 -2.461 1.00 41.12 N ATOM 0 H ASN A 126 -4.780 -43.244 -1.565 1.00 24.21 H new ATOM 0 HA ASN A 126 -4.110 -45.884 -2.661 1.00 34.20 H new ATOM 0 HB2 ASN A 126 -5.565 -43.469 -3.805 1.00 71.20 H new ATOM 0 HB3 ASN A 126 -5.209 -44.916 -4.727 1.00 71.20 H new ATOM 0 HD21 ASN A 126 -8.361 -44.829 -2.100 1.00 41.12 H new ATOM 0 HD22 ASN A 126 -7.241 -43.473 -2.267 1.00 41.12 H new ATOM 1960 N ILE A 127 -2.263 -43.290 -3.048 1.00 24.11 N ATOM 1961 CA ILE A 127 -0.889 -42.960 -3.449 1.00 45.52 C ATOM 1962 C ILE A 127 0.022 -44.098 -3.009 1.00 24.03 C ATOM 1963 O ILE A 127 0.901 -44.537 -3.752 1.00 24.55 O ATOM 1964 CB ILE A 127 -0.380 -41.624 -2.827 1.00 23.43 C ATOM 1965 CG1 ILE A 127 -0.992 -40.409 -3.546 1.00 53.10 C ATOM 1966 CG2 ILE A 127 1.150 -41.541 -2.866 1.00 51.22 C ATOM 1967 CD1 ILE A 127 -0.632 -39.084 -2.908 1.00 54.51 C ATOM 0 H ILE A 127 -2.684 -42.632 -2.392 1.00 24.11 H new ATOM 0 HA ILE A 127 -0.877 -42.830 -4.531 1.00 45.52 H new ATOM 0 HB ILE A 127 -0.700 -41.609 -1.785 1.00 23.43 H new ATOM 0 HG12 ILE A 127 -0.659 -40.406 -4.584 1.00 53.10 H new ATOM 0 HG13 ILE A 127 -2.077 -40.514 -3.560 1.00 53.10 H new ATOM 0 HG21 ILE A 127 1.475 -40.598 -2.425 1.00 51.22 H new ATOM 0 HG22 ILE A 127 1.574 -42.371 -2.301 1.00 51.22 H new ATOM 0 HG23 ILE A 127 1.491 -41.595 -3.900 1.00 51.22 H new ATOM 0 HD11 ILE A 127 -1.098 -38.272 -3.467 1.00 54.51 H new ATOM 0 HD12 ILE A 127 -0.989 -39.067 -1.878 1.00 54.51 H new ATOM 0 HD13 ILE A 127 0.451 -38.957 -2.919 1.00 54.51 H new ATOM 1979 N ASN A 128 -0.210 -44.558 -1.783 1.00 64.33 N ATOM 1980 CA ASN A 128 0.458 -45.750 -1.261 1.00 71.43 C ATOM 1981 C ASN A 128 0.182 -46.947 -2.175 1.00 23.15 C ATOM 1982 O ASN A 128 1.150 -47.586 -2.639 1.00 65.33 O ATOM 1983 CB ASN A 128 -0.017 -46.061 0.170 1.00 24.12 C ATOM 1984 CG ASN A 128 0.529 -45.100 1.217 1.00 23.51 C ATOM 1985 OD1 ASN A 128 0.824 -43.869 0.824 1.00 5.34 O flip ATOM 1986 ND2 ASN A 128 0.693 -45.470 2.379 1.00 22.35 N flip ATOM 1987 OXT ASN A 128 -1.001 -47.219 -2.462 1.00 0.00 O1- ATOM 0 H ASN A 128 -0.859 -44.122 -1.128 1.00 64.33 H new ATOM 0 HA ASN A 128 1.531 -45.558 -1.233 1.00 71.43 H new ATOM 0 HB2 ASN A 128 -1.106 -46.033 0.196 1.00 24.12 H new ATOM 0 HB3 ASN A 128 0.282 -47.076 0.430 1.00 24.12 H new ATOM 0 HD21 ASN A 128 0.456 -46.425 2.649 1.00 22.35 H new ATOM 0 HD22 ASN A 128 1.066 -44.822 3.073 1.00 22.35 H new TER 1994 ASN A 128