USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 994 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 91 ASN : amide:sc= 0.0213 K(o=0.14,f=-6.7!) USER MOD Set 1.2: A 93 SER OG : rot 84:sc= 0.116 USER MOD Set 2.1: A 59 SER OG : rot 70:sc= 0.806 USER MOD Set 2.2: A 103 THR OG1 : rot -65:sc= 0.478 USER MOD Set 3.1: A 45 MET CE :methyl 179:sc= -2.41! (180deg=-2.49!) USER MOD Set 3.2: A 90 TYR OH : rot -122:sc= 1.4 USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0609 (180deg=-0.0342) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -174:sc=-0.00416 (180deg=-0.071) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.251 K(o=-0.25,f=-2.3) USER MOD Single : A 11 LYS NZ :NH3+ -121:sc= 0.651 (180deg=-0.0648) USER MOD Single : A 15 ASN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 23 TYR OH : rot 180:sc= 0.609 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.341 F(o=-1.1,f=-0.34) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0.501 (180deg=0.501) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0329) USER MOD Single : A 38 LYS NZ :NH3+ -132:sc= 0.104 (180deg=-1.09) USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= 0.421 (180deg=0.0491) USER MOD Single : A 42 ASN : amide:sc= -0.284 K(o=-0.28,f=-3.8!) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.321 (180deg=-0.896) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -0.0289 (180deg=-0.248) USER MOD Single : A 64 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-3) USER MOD Single : A 65 SER OG : rot 180:sc= -0.184 USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= 0.622 (180deg=0.472) USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= -0.938 (180deg=-2.37!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -118:sc= 1.36 (180deg=0.784) USER MOD Single : A 82 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.63) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0.0126 K(o=0.013,f=-3.3!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 56:sc= 0.421 USER MOD Single : A 107 GLN : amide:sc= 0.306 X(o=0.31,f=-0.095) USER MOD Single : A 115 HIS : no HD1:sc= -0.0379 X(o=-0.038,f=-0.043) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.143 K(o=-0.14,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.552 -4.958 -0.497 1.00 23.34 N ATOM 2 CA MET A 1 20.858 -5.122 -1.797 1.00 42.03 C ATOM 3 C MET A 1 19.996 -3.890 -2.107 1.00 31.34 C ATOM 4 O MET A 1 19.683 -3.095 -1.211 1.00 41.50 O ATOM 5 CB MET A 1 19.983 -6.409 -1.792 1.00 40.23 C ATOM 6 CG MET A 1 20.767 -7.714 -1.619 1.00 14.41 C ATOM 7 SD MET A 1 21.967 -7.982 -2.945 1.00 10.31 S ATOM 8 CE MET A 1 22.752 -9.504 -2.416 1.00 40.20 C ATOM 0 H1 MET A 1 22.579 -5.033 -0.640 1.00 23.34 H new ATOM 0 H2 MET A 1 21.325 -4.025 -0.098 1.00 23.34 H new ATOM 0 H3 MET A 1 21.239 -5.701 0.160 1.00 23.34 H new ATOM 0 HA MET A 1 21.613 -5.221 -2.577 1.00 42.03 H new ATOM 0 HB2 MET A 1 19.251 -6.331 -0.988 1.00 40.23 H new ATOM 0 HB3 MET A 1 19.426 -6.457 -2.727 1.00 40.23 H new ATOM 0 HG2 MET A 1 21.287 -7.698 -0.661 1.00 14.41 H new ATOM 0 HG3 MET A 1 20.070 -8.552 -1.589 1.00 14.41 H new ATOM 0 HE1 MET A 1 23.515 -9.790 -3.140 1.00 40.20 H new ATOM 0 HE2 MET A 1 23.215 -9.355 -1.440 1.00 40.20 H new ATOM 0 HE3 MET A 1 22.004 -10.294 -2.346 1.00 40.20 H new ATOM 20 N SER A 2 19.626 -3.746 -3.396 1.00 1.25 N ATOM 21 CA SER A 2 18.709 -2.695 -3.870 1.00 2.15 C ATOM 22 C SER A 2 17.267 -2.992 -3.404 1.00 73.12 C ATOM 23 O SER A 2 16.440 -2.089 -3.270 1.00 32.20 O ATOM 24 CB SER A 2 18.787 -2.597 -5.409 1.00 24.10 C ATOM 25 OG SER A 2 20.116 -2.325 -5.841 1.00 54.50 O ATOM 0 H SER A 2 19.958 -4.360 -4.140 1.00 1.25 H new ATOM 0 HA SER A 2 19.006 -1.736 -3.445 1.00 2.15 H new ATOM 0 HB2 SER A 2 18.441 -3.530 -5.853 1.00 24.10 H new ATOM 0 HB3 SER A 2 18.119 -1.810 -5.760 1.00 24.10 H new ATOM 0 HG SER A 2 20.137 -2.270 -6.819 1.00 54.50 H new ATOM 31 N GLY A 3 16.988 -4.282 -3.172 1.00 55.41 N ATOM 32 CA GLY A 3 15.742 -4.724 -2.571 1.00 31.54 C ATOM 33 C GLY A 3 15.910 -5.003 -1.087 1.00 42.51 C ATOM 34 O GLY A 3 16.862 -5.682 -0.682 1.00 4.35 O ATOM 0 H GLY A 3 17.628 -5.043 -3.400 1.00 55.41 H new ATOM 0 HA2 GLY A 3 14.976 -3.962 -2.715 1.00 31.54 H new ATOM 0 HA3 GLY A 3 15.393 -5.625 -3.075 1.00 31.54 H new ATOM 38 N LYS A 4 14.993 -4.474 -0.275 1.00 73.54 N ATOM 39 CA LYS A 4 15.008 -4.611 1.189 1.00 4.51 C ATOM 40 C LYS A 4 13.654 -5.213 1.603 1.00 14.00 C ATOM 41 O LYS A 4 12.601 -4.747 1.136 1.00 71.33 O ATOM 42 CB LYS A 4 15.274 -3.198 1.815 1.00 61.24 C ATOM 43 CG LYS A 4 15.576 -3.135 3.336 1.00 74.20 C ATOM 44 CD LYS A 4 14.324 -3.250 4.241 1.00 4.13 C ATOM 45 CE LYS A 4 14.656 -3.094 5.728 1.00 11.41 C ATOM 46 NZ LYS A 4 15.639 -4.106 6.200 1.00 24.50 N ATOM 0 H LYS A 4 14.203 -3.928 -0.619 1.00 73.54 H new ATOM 0 HA LYS A 4 15.797 -5.272 1.548 1.00 4.51 H new ATOM 0 HB2 LYS A 4 16.114 -2.748 1.286 1.00 61.24 H new ATOM 0 HB3 LYS A 4 14.403 -2.573 1.619 1.00 61.24 H new ATOM 0 HG2 LYS A 4 16.268 -3.937 3.590 1.00 74.20 H new ATOM 0 HG3 LYS A 4 16.083 -2.195 3.555 1.00 74.20 H new ATOM 0 HD2 LYS A 4 13.600 -2.488 3.952 1.00 4.13 H new ATOM 0 HD3 LYS A 4 13.850 -4.218 4.078 1.00 4.13 H new ATOM 0 HE2 LYS A 4 15.054 -2.095 5.906 1.00 11.41 H new ATOM 0 HE3 LYS A 4 13.740 -3.181 6.313 1.00 11.41 H new ATOM 0 HZ1 LYS A 4 15.754 -4.024 7.230 1.00 24.50 H new ATOM 0 HZ2 LYS A 4 15.296 -5.059 5.964 1.00 24.50 H new ATOM 0 HZ3 LYS A 4 16.555 -3.943 5.736 1.00 24.50 H new ATOM 60 N LYS A 5 13.684 -6.262 2.454 1.00 42.44 N ATOM 61 CA LYS A 5 12.466 -6.908 2.956 1.00 30.43 C ATOM 62 C LYS A 5 11.767 -5.979 3.967 1.00 21.02 C ATOM 63 O LYS A 5 12.194 -5.851 5.121 1.00 52.10 O ATOM 64 CB LYS A 5 12.777 -8.278 3.604 1.00 1.03 C ATOM 65 CG LYS A 5 11.514 -9.059 4.056 1.00 43.14 C ATOM 66 CD LYS A 5 11.857 -10.323 4.868 1.00 15.11 C ATOM 67 CE LYS A 5 12.576 -9.991 6.188 1.00 14.20 C ATOM 68 NZ LYS A 5 12.919 -11.207 6.971 1.00 13.41 N ATOM 0 H LYS A 5 14.547 -6.676 2.805 1.00 42.44 H new ATOM 0 HA LYS A 5 11.801 -7.090 2.112 1.00 30.43 H new ATOM 0 HB2 LYS A 5 13.334 -8.888 2.893 1.00 1.03 H new ATOM 0 HB3 LYS A 5 13.425 -8.123 4.467 1.00 1.03 H new ATOM 0 HG2 LYS A 5 10.883 -8.405 4.658 1.00 43.14 H new ATOM 0 HG3 LYS A 5 10.933 -9.342 3.178 1.00 43.14 H new ATOM 0 HD2 LYS A 5 10.941 -10.873 5.084 1.00 15.11 H new ATOM 0 HD3 LYS A 5 12.488 -10.978 4.268 1.00 15.11 H new ATOM 0 HE2 LYS A 5 13.487 -9.433 5.971 1.00 14.20 H new ATOM 0 HE3 LYS A 5 11.941 -9.342 6.791 1.00 14.20 H new ATOM 0 HZ1 LYS A 5 13.401 -10.930 7.850 1.00 13.41 H new ATOM 0 HZ2 LYS A 5 12.049 -11.728 7.203 1.00 13.41 H new ATOM 0 HZ3 LYS A 5 13.547 -11.816 6.409 1.00 13.41 H new ATOM 82 N VAL A 6 10.722 -5.315 3.491 1.00 75.24 N ATOM 83 CA VAL A 6 9.924 -4.361 4.275 1.00 34.12 C ATOM 84 C VAL A 6 8.625 -5.040 4.760 1.00 12.13 C ATOM 85 O VAL A 6 8.117 -5.952 4.106 1.00 2.21 O ATOM 86 CB VAL A 6 9.596 -3.080 3.407 1.00 21.23 C ATOM 87 CG1 VAL A 6 8.977 -3.458 2.037 1.00 71.23 C ATOM 88 CG2 VAL A 6 8.689 -2.096 4.169 1.00 42.01 C ATOM 0 H VAL A 6 10.393 -5.421 2.531 1.00 75.24 H new ATOM 0 HA VAL A 6 10.498 -4.045 5.146 1.00 34.12 H new ATOM 0 HB VAL A 6 10.543 -2.577 3.213 1.00 21.23 H new ATOM 0 HG11 VAL A 6 8.766 -2.551 1.470 1.00 71.23 H new ATOM 0 HG12 VAL A 6 9.678 -4.079 1.480 1.00 71.23 H new ATOM 0 HG13 VAL A 6 8.051 -4.010 2.196 1.00 71.23 H new ATOM 0 HG21 VAL A 6 8.485 -1.228 3.541 1.00 42.01 H new ATOM 0 HG22 VAL A 6 7.750 -2.589 4.423 1.00 42.01 H new ATOM 0 HG23 VAL A 6 9.189 -1.774 5.083 1.00 42.01 H new ATOM 98 N GLU A 7 8.110 -4.598 5.919 1.00 71.34 N ATOM 99 CA GLU A 7 6.797 -5.024 6.423 1.00 1.44 C ATOM 100 C GLU A 7 5.777 -3.922 6.113 1.00 52.33 C ATOM 101 O GLU A 7 5.860 -2.804 6.641 1.00 23.42 O ATOM 102 CB GLU A 7 6.842 -5.320 7.938 1.00 53.34 C ATOM 103 CG GLU A 7 7.780 -6.479 8.311 1.00 61.23 C ATOM 104 CD GLU A 7 7.799 -6.745 9.821 1.00 14.31 C ATOM 105 OE1 GLU A 7 6.904 -7.470 10.320 1.00 52.42 O ATOM 106 OE2 GLU A 7 8.704 -6.225 10.522 1.00 62.32 O ATOM 0 H GLU A 7 8.591 -3.938 6.530 1.00 71.34 H new ATOM 0 HA GLU A 7 6.505 -5.951 5.929 1.00 1.44 H new ATOM 0 HB2 GLU A 7 7.161 -4.421 8.466 1.00 53.34 H new ATOM 0 HB3 GLU A 7 5.835 -5.553 8.284 1.00 53.34 H new ATOM 0 HG2 GLU A 7 7.465 -7.382 7.789 1.00 61.23 H new ATOM 0 HG3 GLU A 7 8.790 -6.251 7.971 1.00 61.23 H new ATOM 113 N VAL A 8 4.840 -4.261 5.235 1.00 12.01 N ATOM 114 CA VAL A 8 3.800 -3.367 4.740 1.00 32.43 C ATOM 115 C VAL A 8 2.487 -3.681 5.479 1.00 21.42 C ATOM 116 O VAL A 8 1.875 -4.726 5.258 1.00 43.10 O ATOM 117 CB VAL A 8 3.657 -3.548 3.177 1.00 40.14 C ATOM 118 CG1 VAL A 8 2.492 -2.719 2.593 1.00 23.14 C ATOM 119 CG2 VAL A 8 4.995 -3.196 2.479 1.00 41.34 C ATOM 0 H VAL A 8 4.782 -5.197 4.835 1.00 12.01 H new ATOM 0 HA VAL A 8 4.058 -2.325 4.930 1.00 32.43 H new ATOM 0 HB VAL A 8 3.419 -4.594 2.986 1.00 40.14 H new ATOM 0 HG11 VAL A 8 2.436 -2.878 1.516 1.00 23.14 H new ATOM 0 HG12 VAL A 8 1.556 -3.032 3.055 1.00 23.14 H new ATOM 0 HG13 VAL A 8 2.661 -1.661 2.795 1.00 23.14 H new ATOM 0 HG21 VAL A 8 4.888 -3.323 1.402 1.00 41.34 H new ATOM 0 HG22 VAL A 8 5.258 -2.161 2.698 1.00 41.34 H new ATOM 0 HG23 VAL A 8 5.781 -3.856 2.846 1.00 41.34 H new ATOM 129 N GLN A 9 2.088 -2.777 6.384 1.00 60.44 N ATOM 130 CA GLN A 9 0.892 -2.939 7.220 1.00 11.44 C ATOM 131 C GLN A 9 -0.270 -2.215 6.525 1.00 3.10 C ATOM 132 O GLN A 9 -0.361 -0.986 6.576 1.00 72.43 O ATOM 133 CB GLN A 9 1.157 -2.344 8.635 1.00 63.21 C ATOM 134 CG GLN A 9 2.375 -2.949 9.376 1.00 55.10 C ATOM 135 CD GLN A 9 2.696 -2.257 10.707 1.00 75.21 C ATOM 136 OE1 GLN A 9 2.428 -1.068 10.884 1.00 33.42 O ATOM 137 NE2 GLN A 9 3.304 -2.982 11.643 1.00 4.44 N ATOM 0 H GLN A 9 2.590 -1.906 6.557 1.00 60.44 H new ATOM 0 HA GLN A 9 0.643 -3.993 7.344 1.00 11.44 H new ATOM 0 HB2 GLN A 9 1.305 -1.268 8.540 1.00 63.21 H new ATOM 0 HB3 GLN A 9 0.267 -2.490 9.248 1.00 63.21 H new ATOM 0 HG2 GLN A 9 2.186 -4.006 9.563 1.00 55.10 H new ATOM 0 HG3 GLN A 9 3.249 -2.891 8.727 1.00 55.10 H new ATOM 0 HE21 GLN A 9 3.514 -3.965 11.470 1.00 4.44 H new ATOM 0 HE22 GLN A 9 3.560 -2.555 12.533 1.00 4.44 H new ATOM 146 N VAL A 10 -1.138 -2.981 5.845 1.00 22.32 N ATOM 147 CA VAL A 10 -2.272 -2.430 5.084 1.00 50.10 C ATOM 148 C VAL A 10 -3.531 -2.484 5.959 1.00 24.22 C ATOM 149 O VAL A 10 -4.030 -3.567 6.276 1.00 51.52 O ATOM 150 CB VAL A 10 -2.495 -3.201 3.724 1.00 21.42 C ATOM 151 CG1 VAL A 10 -3.735 -2.666 2.964 1.00 1.23 C ATOM 152 CG2 VAL A 10 -1.223 -3.137 2.837 1.00 33.22 C ATOM 0 H VAL A 10 -1.074 -3.998 5.807 1.00 22.32 H new ATOM 0 HA VAL A 10 -2.051 -1.395 4.824 1.00 50.10 H new ATOM 0 HB VAL A 10 -2.687 -4.247 3.964 1.00 21.42 H new ATOM 0 HG11 VAL A 10 -3.858 -3.219 2.033 1.00 1.23 H new ATOM 0 HG12 VAL A 10 -4.624 -2.794 3.582 1.00 1.23 H new ATOM 0 HG13 VAL A 10 -3.597 -1.608 2.741 1.00 1.23 H new ATOM 0 HG21 VAL A 10 -1.401 -3.675 1.906 1.00 33.22 H new ATOM 0 HG22 VAL A 10 -0.986 -2.096 2.615 1.00 33.22 H new ATOM 0 HG23 VAL A 10 -0.387 -3.595 3.366 1.00 33.22 H new ATOM 162 N LYS A 11 -4.006 -1.301 6.366 1.00 43.12 N ATOM 163 CA LYS A 11 -5.197 -1.134 7.202 1.00 0.54 C ATOM 164 C LYS A 11 -6.326 -0.569 6.327 1.00 2.32 C ATOM 165 O LYS A 11 -6.337 0.619 6.034 1.00 41.33 O ATOM 166 CB LYS A 11 -4.856 -0.139 8.346 1.00 3.30 C ATOM 167 CG LYS A 11 -5.999 0.118 9.353 1.00 35.04 C ATOM 168 CD LYS A 11 -5.755 1.344 10.271 1.00 23.45 C ATOM 169 CE LYS A 11 -4.412 1.296 11.016 1.00 35.51 C ATOM 170 NZ LYS A 11 -4.257 0.075 11.851 1.00 44.13 N ATOM 0 H LYS A 11 -3.563 -0.416 6.118 1.00 43.12 H new ATOM 0 HA LYS A 11 -5.513 -2.084 7.632 1.00 0.54 H new ATOM 0 HB2 LYS A 11 -3.991 -0.518 8.891 1.00 3.30 H new ATOM 0 HB3 LYS A 11 -4.562 0.813 7.903 1.00 3.30 H new ATOM 0 HG2 LYS A 11 -6.929 0.265 8.804 1.00 35.04 H new ATOM 0 HG3 LYS A 11 -6.132 -0.769 9.973 1.00 35.04 H new ATOM 0 HD2 LYS A 11 -5.795 2.252 9.669 1.00 23.45 H new ATOM 0 HD3 LYS A 11 -6.563 1.409 11.000 1.00 23.45 H new ATOM 0 HE2 LYS A 11 -3.599 1.340 10.292 1.00 35.51 H new ATOM 0 HE3 LYS A 11 -4.322 2.178 11.650 1.00 35.51 H new ATOM 0 HZ1 LYS A 11 -4.111 0.349 12.843 1.00 44.13 H new ATOM 0 HZ2 LYS A 11 -5.115 -0.508 11.775 1.00 44.13 H new ATOM 0 HZ3 LYS A 11 -3.437 -0.471 11.519 1.00 44.13 H new ATOM 184 N ILE A 12 -7.282 -1.408 5.917 1.00 62.20 N ATOM 185 CA ILE A 12 -8.383 -0.974 5.040 1.00 12.43 C ATOM 186 C ILE A 12 -9.721 -0.984 5.807 1.00 52.23 C ATOM 187 O ILE A 12 -10.137 -2.006 6.355 1.00 13.32 O ATOM 188 CB ILE A 12 -8.459 -1.822 3.710 1.00 62.45 C ATOM 189 CG1 ILE A 12 -9.632 -1.315 2.808 1.00 4.42 C ATOM 190 CG2 ILE A 12 -8.551 -3.350 3.973 1.00 4.01 C ATOM 191 CD1 ILE A 12 -9.698 -1.959 1.442 1.00 70.31 C ATOM 0 H ILE A 12 -7.319 -2.394 6.177 1.00 62.20 H new ATOM 0 HA ILE A 12 -8.177 0.052 4.733 1.00 12.43 H new ATOM 0 HB ILE A 12 -7.522 -1.671 3.174 1.00 62.45 H new ATOM 0 HG12 ILE A 12 -10.574 -1.494 3.326 1.00 4.42 H new ATOM 0 HG13 ILE A 12 -9.537 -0.236 2.683 1.00 4.42 H new ATOM 0 HG21 ILE A 12 -8.601 -3.881 3.022 1.00 4.01 H new ATOM 0 HG22 ILE A 12 -7.671 -3.678 4.526 1.00 4.01 H new ATOM 0 HG23 ILE A 12 -9.446 -3.566 4.556 1.00 4.01 H new ATOM 0 HD11 ILE A 12 -10.541 -1.548 0.886 1.00 70.31 H new ATOM 0 HD12 ILE A 12 -8.774 -1.759 0.900 1.00 70.31 H new ATOM 0 HD13 ILE A 12 -9.827 -3.036 1.553 1.00 70.31 H new ATOM 203 N THR A 13 -10.371 0.191 5.865 1.00 14.22 N ATOM 204 CA THR A 13 -11.657 0.380 6.524 1.00 33.11 C ATOM 205 C THR A 13 -12.789 0.257 5.482 1.00 33.15 C ATOM 206 O THR A 13 -12.824 1.017 4.504 1.00 3.12 O ATOM 207 CB THR A 13 -11.712 1.770 7.244 1.00 0.24 C ATOM 208 OG1 THR A 13 -10.570 1.917 8.116 1.00 42.15 O ATOM 209 CG2 THR A 13 -13.008 1.938 8.066 1.00 73.21 C ATOM 0 H THR A 13 -10.004 1.045 5.445 1.00 14.22 H new ATOM 0 HA THR A 13 -11.787 -0.391 7.283 1.00 33.11 H new ATOM 0 HB THR A 13 -11.696 2.541 6.474 1.00 0.24 H new ATOM 0 HG1 THR A 13 -10.609 2.789 8.562 1.00 42.15 H new ATOM 0 HG21 THR A 13 -13.008 2.915 8.550 1.00 73.21 H new ATOM 0 HG22 THR A 13 -13.871 1.861 7.405 1.00 73.21 H new ATOM 0 HG23 THR A 13 -13.061 1.157 8.825 1.00 73.21 H new ATOM 217 N CYS A 14 -13.680 -0.723 5.705 1.00 64.44 N ATOM 218 CA CYS A 14 -14.780 -1.084 4.797 1.00 20.52 C ATOM 219 C CYS A 14 -15.946 -1.657 5.630 1.00 0.31 C ATOM 220 O CYS A 14 -15.719 -2.434 6.563 1.00 50.03 O ATOM 221 CB CYS A 14 -14.249 -2.108 3.763 1.00 51.25 C ATOM 222 SG CYS A 14 -15.464 -2.908 2.652 1.00 24.14 S ATOM 0 H CYS A 14 -13.654 -1.301 6.545 1.00 64.44 H new ATOM 0 HA CYS A 14 -15.150 -0.213 4.256 1.00 20.52 H new ATOM 0 HB2 CYS A 14 -13.509 -1.604 3.142 1.00 51.25 H new ATOM 0 HB3 CYS A 14 -13.726 -2.894 4.308 1.00 51.25 H new ATOM 227 N ASN A 15 -17.176 -1.203 5.317 1.00 53.13 N ATOM 228 CA ASN A 15 -18.438 -1.650 5.959 1.00 51.42 C ATOM 229 C ASN A 15 -18.465 -1.231 7.453 1.00 34.11 C ATOM 230 O ASN A 15 -19.080 -1.892 8.303 1.00 73.23 O ATOM 231 CB ASN A 15 -18.642 -3.193 5.759 1.00 71.33 C ATOM 232 CG ASN A 15 -20.098 -3.652 5.915 1.00 14.13 C ATOM 233 OD1 ASN A 15 -20.860 -3.677 4.948 1.00 61.44 O ATOM 234 ND2 ASN A 15 -20.505 -4.008 7.121 1.00 31.50 N ATOM 0 H ASN A 15 -17.328 -0.499 4.595 1.00 53.13 H new ATOM 0 HA ASN A 15 -19.281 -1.156 5.476 1.00 51.42 H new ATOM 0 HB2 ASN A 15 -18.288 -3.471 4.766 1.00 71.33 H new ATOM 0 HB3 ASN A 15 -18.023 -3.728 6.479 1.00 71.33 H new ATOM 0 HD21 ASN A 15 -21.468 -4.311 7.265 1.00 31.50 H new ATOM 0 HD22 ASN A 15 -19.856 -3.979 7.907 1.00 31.50 H new ATOM 241 N GLY A 16 -17.785 -0.100 7.753 1.00 74.24 N ATOM 242 CA GLY A 16 -17.677 0.420 9.120 1.00 5.51 C ATOM 243 C GLY A 16 -16.648 -0.316 9.984 1.00 22.12 C ATOM 244 O GLY A 16 -16.454 0.042 11.153 1.00 13.51 O ATOM 0 H GLY A 16 -17.303 0.467 7.056 1.00 74.24 H new ATOM 0 HA2 GLY A 16 -17.412 1.476 9.077 1.00 5.51 H new ATOM 0 HA3 GLY A 16 -18.653 0.356 9.601 1.00 5.51 H new ATOM 248 N LYS A 17 -15.976 -1.332 9.402 1.00 44.14 N ATOM 249 CA LYS A 17 -14.995 -2.184 10.108 1.00 63.24 C ATOM 250 C LYS A 17 -13.588 -1.949 9.564 1.00 30.24 C ATOM 251 O LYS A 17 -13.421 -1.378 8.498 1.00 74.40 O ATOM 252 CB LYS A 17 -15.366 -3.683 9.957 1.00 2.30 C ATOM 253 CG LYS A 17 -16.708 -4.077 10.603 1.00 14.12 C ATOM 254 CD LYS A 17 -17.008 -5.589 10.477 1.00 62.25 C ATOM 255 CE LYS A 17 -15.945 -6.474 11.147 1.00 21.12 C ATOM 256 NZ LYS A 17 -16.268 -7.918 11.023 1.00 20.31 N ATOM 0 H LYS A 17 -16.100 -1.586 8.422 1.00 44.14 H new ATOM 0 HA LYS A 17 -15.017 -1.916 11.164 1.00 63.24 H new ATOM 0 HB2 LYS A 17 -15.401 -3.930 8.896 1.00 2.30 H new ATOM 0 HB3 LYS A 17 -14.573 -4.287 10.399 1.00 2.30 H new ATOM 0 HG2 LYS A 17 -16.695 -3.800 11.657 1.00 14.12 H new ATOM 0 HG3 LYS A 17 -17.513 -3.510 10.134 1.00 14.12 H new ATOM 0 HD2 LYS A 17 -17.980 -5.799 10.923 1.00 62.25 H new ATOM 0 HD3 LYS A 17 -17.078 -5.852 9.422 1.00 62.25 H new ATOM 0 HE2 LYS A 17 -14.973 -6.279 10.694 1.00 21.12 H new ATOM 0 HE3 LYS A 17 -15.864 -6.209 12.201 1.00 21.12 H new ATOM 0 HZ1 LYS A 17 -15.527 -8.481 11.488 1.00 20.31 H new ATOM 0 HZ2 LYS A 17 -17.184 -8.109 11.477 1.00 20.31 H new ATOM 0 HZ3 LYS A 17 -16.320 -8.177 10.017 1.00 20.31 H new ATOM 270 N THR A 18 -12.576 -2.405 10.313 1.00 54.33 N ATOM 271 CA THR A 18 -11.167 -2.329 9.907 1.00 23.31 C ATOM 272 C THR A 18 -10.581 -3.743 9.725 1.00 51.42 C ATOM 273 O THR A 18 -10.551 -4.540 10.666 1.00 60.12 O ATOM 274 CB THR A 18 -10.343 -1.520 10.965 1.00 35.22 C ATOM 275 OG1 THR A 18 -10.839 -0.168 11.023 1.00 62.45 O ATOM 276 CG2 THR A 18 -8.840 -1.483 10.651 1.00 34.04 C ATOM 0 H THR A 18 -12.713 -2.841 11.225 1.00 54.33 H new ATOM 0 HA THR A 18 -11.106 -1.810 8.950 1.00 23.31 H new ATOM 0 HB THR A 18 -10.466 -2.028 11.922 1.00 35.22 H new ATOM 0 HG1 THR A 18 -10.326 0.340 11.686 1.00 62.45 H new ATOM 0 HG21 THR A 18 -8.322 -0.908 11.419 1.00 34.04 H new ATOM 0 HG22 THR A 18 -8.447 -2.500 10.631 1.00 34.04 H new ATOM 0 HG23 THR A 18 -8.683 -1.015 9.679 1.00 34.04 H new ATOM 284 N TYR A 19 -10.121 -4.027 8.502 1.00 63.54 N ATOM 285 CA TYR A 19 -9.460 -5.286 8.126 1.00 64.24 C ATOM 286 C TYR A 19 -7.983 -4.963 7.877 1.00 73.33 C ATOM 287 O TYR A 19 -7.687 -4.133 7.012 1.00 2.34 O ATOM 288 CB TYR A 19 -10.098 -5.871 6.828 1.00 32.54 C ATOM 289 CG TYR A 19 -11.631 -5.874 6.821 1.00 1.44 C ATOM 290 CD1 TYR A 19 -12.338 -4.770 6.337 1.00 60.41 C ATOM 291 CD2 TYR A 19 -12.372 -6.957 7.305 1.00 21.31 C ATOM 292 CE1 TYR A 19 -13.711 -4.748 6.334 1.00 43.02 C ATOM 293 CE2 TYR A 19 -13.760 -6.929 7.304 1.00 62.45 C ATOM 294 CZ TYR A 19 -14.419 -5.820 6.816 1.00 54.34 C ATOM 295 OH TYR A 19 -15.798 -5.777 6.822 1.00 73.21 O ATOM 0 H TYR A 19 -10.199 -3.372 7.724 1.00 63.54 H new ATOM 0 HA TYR A 19 -9.573 -6.027 8.917 1.00 64.24 H new ATOM 0 HB2 TYR A 19 -9.744 -5.295 5.973 1.00 32.54 H new ATOM 0 HB3 TYR A 19 -9.744 -6.893 6.693 1.00 32.54 H new ATOM 0 HD1 TYR A 19 -11.794 -3.918 5.958 1.00 60.41 H new ATOM 0 HD2 TYR A 19 -11.857 -7.827 7.685 1.00 21.31 H new ATOM 0 HE1 TYR A 19 -14.235 -3.885 5.951 1.00 43.02 H new ATOM 0 HE2 TYR A 19 -14.321 -7.771 7.683 1.00 62.45 H new ATOM 0 HH TYR A 19 -16.150 -6.613 7.193 1.00 73.21 H new ATOM 305 N GLU A 20 -7.059 -5.591 8.617 1.00 23.23 N ATOM 306 CA GLU A 20 -5.618 -5.294 8.476 1.00 41.21 C ATOM 307 C GLU A 20 -4.755 -6.550 8.635 1.00 4.02 C ATOM 308 O GLU A 20 -5.174 -7.536 9.253 1.00 3.25 O ATOM 309 CB GLU A 20 -5.187 -4.182 9.461 1.00 11.14 C ATOM 310 CG GLU A 20 -5.381 -4.500 10.956 1.00 4.21 C ATOM 311 CD GLU A 20 -4.929 -3.338 11.846 1.00 4.33 C ATOM 312 OE1 GLU A 20 -5.683 -2.350 11.974 1.00 24.32 O ATOM 313 OE2 GLU A 20 -3.799 -3.381 12.378 1.00 74.31 O ATOM 0 H GLU A 20 -7.276 -6.303 9.315 1.00 23.23 H new ATOM 0 HA GLU A 20 -5.457 -4.928 7.462 1.00 41.21 H new ATOM 0 HB2 GLU A 20 -4.134 -3.959 9.290 1.00 11.14 H new ATOM 0 HB3 GLU A 20 -5.747 -3.277 9.226 1.00 11.14 H new ATOM 0 HG2 GLU A 20 -6.431 -4.718 11.148 1.00 4.21 H new ATOM 0 HG3 GLU A 20 -4.817 -5.396 11.214 1.00 4.21 H new ATOM 320 N ARG A 21 -3.546 -6.483 8.053 1.00 41.34 N ATOM 321 CA ARG A 21 -2.608 -7.609 7.976 1.00 73.22 C ATOM 322 C ARG A 21 -1.230 -7.075 7.557 1.00 14.11 C ATOM 323 O ARG A 21 -1.131 -6.222 6.661 1.00 10.52 O ATOM 324 CB ARG A 21 -3.155 -8.677 6.972 1.00 41.11 C ATOM 325 CG ARG A 21 -2.304 -9.955 6.803 1.00 55.24 C ATOM 326 CD ARG A 21 -3.042 -11.053 6.006 1.00 3.40 C ATOM 327 NE ARG A 21 -3.552 -10.558 4.711 1.00 22.44 N ATOM 328 CZ ARG A 21 -4.045 -11.314 3.715 1.00 62.42 C ATOM 329 NH1 ARG A 21 -4.128 -12.641 3.815 1.00 13.11 N ATOM 330 NH2 ARG A 21 -4.430 -10.726 2.596 1.00 14.24 N ATOM 0 H ARG A 21 -3.190 -5.632 7.617 1.00 41.34 H new ATOM 0 HA ARG A 21 -2.505 -8.095 8.946 1.00 73.22 H new ATOM 0 HB2 ARG A 21 -4.154 -8.971 7.295 1.00 41.11 H new ATOM 0 HB3 ARG A 21 -3.262 -8.205 5.995 1.00 41.11 H new ATOM 0 HG2 ARG A 21 -1.373 -9.704 6.294 1.00 55.24 H new ATOM 0 HG3 ARG A 21 -2.035 -10.342 7.786 1.00 55.24 H new ATOM 0 HD2 ARG A 21 -2.365 -11.890 5.832 1.00 3.40 H new ATOM 0 HD3 ARG A 21 -3.873 -11.434 6.600 1.00 3.40 H new ATOM 0 HE ARG A 21 -3.528 -9.550 4.559 1.00 22.44 H new ATOM 0 HH11 ARG A 21 -3.813 -13.109 4.665 1.00 13.11 H new ATOM 0 HH12 ARG A 21 -4.507 -13.188 3.042 1.00 13.11 H new ATOM 0 HH21 ARG A 21 -4.351 -9.714 2.498 1.00 14.24 H new ATOM 0 HH22 ARG A 21 -4.806 -11.284 1.830 1.00 14.24 H new ATOM 344 N THR A 22 -0.174 -7.541 8.245 1.00 73.11 N ATOM 345 CA THR A 22 1.215 -7.156 7.966 1.00 63.10 C ATOM 346 C THR A 22 1.842 -8.149 6.965 1.00 5.15 C ATOM 347 O THR A 22 1.932 -9.347 7.242 1.00 13.11 O ATOM 348 CB THR A 22 2.054 -7.100 9.289 1.00 42.23 C ATOM 349 OG1 THR A 22 1.417 -6.204 10.226 1.00 40.22 O ATOM 350 CG2 THR A 22 3.499 -6.628 9.032 1.00 12.52 C ATOM 0 H THR A 22 -0.264 -8.201 9.017 1.00 73.11 H new ATOM 0 HA THR A 22 1.220 -6.159 7.525 1.00 63.10 H new ATOM 0 HB THR A 22 2.098 -8.109 9.699 1.00 42.23 H new ATOM 0 HG1 THR A 22 1.940 -6.170 11.054 1.00 40.22 H new ATOM 0 HG21 THR A 22 4.047 -6.603 9.974 1.00 12.52 H new ATOM 0 HG22 THR A 22 3.990 -7.317 8.345 1.00 12.52 H new ATOM 0 HG23 THR A 22 3.483 -5.630 8.595 1.00 12.52 H new ATOM 358 N TYR A 23 2.247 -7.632 5.800 1.00 63.22 N ATOM 359 CA TYR A 23 2.852 -8.418 4.711 1.00 70.50 C ATOM 360 C TYR A 23 4.371 -8.237 4.749 1.00 43.41 C ATOM 361 O TYR A 23 4.843 -7.128 4.954 1.00 62.41 O ATOM 362 CB TYR A 23 2.293 -7.930 3.344 1.00 73.01 C ATOM 363 CG TYR A 23 0.757 -7.944 3.264 1.00 13.23 C ATOM 364 CD1 TYR A 23 0.062 -9.098 2.902 1.00 72.11 C ATOM 365 CD2 TYR A 23 0.001 -6.806 3.575 1.00 5.52 C ATOM 366 CE1 TYR A 23 -1.321 -9.114 2.849 1.00 24.33 C ATOM 367 CE2 TYR A 23 -1.383 -6.822 3.527 1.00 71.20 C ATOM 368 CZ TYR A 23 -2.040 -7.974 3.163 1.00 72.31 C ATOM 369 OH TYR A 23 -3.426 -7.991 3.109 1.00 2.44 O ATOM 0 H TYR A 23 2.164 -6.639 5.580 1.00 63.22 H new ATOM 0 HA TYR A 23 2.609 -9.473 4.836 1.00 70.50 H new ATOM 0 HB2 TYR A 23 2.649 -6.917 3.157 1.00 73.01 H new ATOM 0 HB3 TYR A 23 2.695 -8.561 2.551 1.00 73.01 H new ATOM 0 HD1 TYR A 23 0.613 -9.995 2.659 1.00 72.11 H new ATOM 0 HD2 TYR A 23 0.509 -5.896 3.858 1.00 5.52 H new ATOM 0 HE1 TYR A 23 -1.840 -10.017 2.562 1.00 24.33 H new ATOM 0 HE2 TYR A 23 -1.944 -5.933 3.775 1.00 71.20 H new ATOM 0 HH TYR A 23 -3.774 -7.110 3.360 1.00 2.44 H new ATOM 379 N GLN A 24 5.128 -9.322 4.562 1.00 73.12 N ATOM 380 CA GLN A 24 6.599 -9.245 4.442 1.00 2.45 C ATOM 381 C GLN A 24 6.925 -9.320 2.948 1.00 60.21 C ATOM 382 O GLN A 24 6.780 -10.379 2.326 1.00 21.42 O ATOM 383 CB GLN A 24 7.321 -10.388 5.232 1.00 54.14 C ATOM 384 CG GLN A 24 7.306 -10.276 6.784 1.00 25.02 C ATOM 385 CD GLN A 24 5.915 -10.384 7.417 1.00 44.03 C ATOM 386 OE1 GLN A 24 5.286 -9.252 7.703 1.00 3.13 O flip ATOM 387 NE2 GLN A 24 5.424 -11.481 7.680 1.00 20.42 N flip ATOM 0 H GLN A 24 4.753 -10.268 4.490 1.00 73.12 H new ATOM 0 HA GLN A 24 6.959 -8.314 4.879 1.00 2.45 H new ATOM 0 HB2 GLN A 24 6.863 -11.337 4.954 1.00 54.14 H new ATOM 0 HB3 GLN A 24 8.359 -10.427 4.903 1.00 54.14 H new ATOM 0 HG2 GLN A 24 7.941 -11.059 7.198 1.00 25.02 H new ATOM 0 HG3 GLN A 24 7.748 -9.322 7.071 1.00 25.02 H new ATOM 0 HE21 GLN A 24 5.931 -12.335 7.448 1.00 20.42 H new ATOM 0 HE22 GLN A 24 4.510 -11.536 8.130 1.00 20.42 H new ATOM 396 N LEU A 25 7.346 -8.183 2.376 1.00 52.23 N ATOM 397 CA LEU A 25 7.605 -8.047 0.938 1.00 44.03 C ATOM 398 C LEU A 25 9.113 -7.875 0.708 1.00 65.51 C ATOM 399 O LEU A 25 9.664 -6.783 0.904 1.00 2.01 O ATOM 400 CB LEU A 25 6.786 -6.853 0.351 1.00 3.30 C ATOM 401 CG LEU A 25 5.224 -6.953 0.502 1.00 3.23 C ATOM 402 CD1 LEU A 25 4.509 -5.780 -0.202 1.00 12.21 C ATOM 403 CD2 LEU A 25 4.676 -8.319 0.004 1.00 55.24 C ATOM 0 H LEU A 25 7.517 -7.327 2.903 1.00 52.23 H new ATOM 0 HA LEU A 25 7.281 -8.947 0.416 1.00 44.03 H new ATOM 0 HB2 LEU A 25 7.121 -5.935 0.835 1.00 3.30 H new ATOM 0 HB3 LEU A 25 7.024 -6.760 -0.709 1.00 3.30 H new ATOM 0 HG LEU A 25 5.007 -6.885 1.568 1.00 3.23 H new ATOM 0 HD11 LEU A 25 3.431 -5.883 -0.076 1.00 12.21 H new ATOM 0 HD12 LEU A 25 4.837 -4.838 0.237 1.00 12.21 H new ATOM 0 HD13 LEU A 25 4.753 -5.790 -1.264 1.00 12.21 H new ATOM 0 HD21 LEU A 25 3.593 -8.343 0.127 1.00 55.24 H new ATOM 0 HD22 LEU A 25 4.924 -8.448 -1.049 1.00 55.24 H new ATOM 0 HD23 LEU A 25 5.125 -9.125 0.584 1.00 55.24 H new ATOM 415 N TYR A 26 9.778 -8.991 0.358 1.00 44.51 N ATOM 416 CA TYR A 26 11.193 -8.998 -0.051 1.00 73.11 C ATOM 417 C TYR A 26 11.285 -8.864 -1.579 1.00 24.42 C ATOM 418 O TYR A 26 10.510 -9.487 -2.309 1.00 20.50 O ATOM 419 CB TYR A 26 11.910 -10.300 0.417 1.00 70.21 C ATOM 420 CG TYR A 26 13.348 -10.448 -0.137 1.00 32.54 C ATOM 421 CD1 TYR A 26 14.392 -9.620 0.309 1.00 71.41 C ATOM 422 CD2 TYR A 26 13.653 -11.384 -1.138 1.00 2.32 C ATOM 423 CE1 TYR A 26 15.667 -9.722 -0.219 1.00 31.44 C ATOM 424 CE2 TYR A 26 14.930 -11.489 -1.658 1.00 33.21 C ATOM 425 CZ TYR A 26 15.928 -10.657 -1.198 1.00 21.14 C ATOM 426 OH TYR A 26 17.196 -10.757 -1.728 1.00 54.33 O ATOM 0 H TYR A 26 9.347 -9.916 0.351 1.00 44.51 H new ATOM 0 HA TYR A 26 11.694 -8.153 0.422 1.00 73.11 H new ATOM 0 HB2 TYR A 26 11.946 -10.314 1.506 1.00 70.21 H new ATOM 0 HB3 TYR A 26 11.319 -11.162 0.107 1.00 70.21 H new ATOM 0 HD1 TYR A 26 14.195 -8.889 1.079 1.00 71.41 H new ATOM 0 HD2 TYR A 26 12.875 -12.035 -1.509 1.00 2.32 H new ATOM 0 HE1 TYR A 26 16.454 -9.072 0.134 1.00 31.44 H new ATOM 0 HE2 TYR A 26 15.145 -12.221 -2.423 1.00 33.21 H new ATOM 0 HH TYR A 26 17.212 -11.465 -2.406 1.00 54.33 H new ATOM 436 N ALA A 27 12.272 -8.085 -2.042 1.00 71.32 N ATOM 437 CA ALA A 27 12.543 -7.869 -3.467 1.00 11.42 C ATOM 438 C ALA A 27 14.057 -7.820 -3.698 1.00 3.04 C ATOM 439 O ALA A 27 14.839 -7.815 -2.741 1.00 31.24 O ATOM 440 CB ALA A 27 11.866 -6.567 -3.921 1.00 1.13 C ATOM 0 H ALA A 27 12.912 -7.581 -1.428 1.00 71.32 H new ATOM 0 HA ALA A 27 12.136 -8.691 -4.056 1.00 11.42 H new ATOM 0 HB1 ALA A 27 12.065 -6.403 -4.980 1.00 1.13 H new ATOM 0 HB2 ALA A 27 10.790 -6.641 -3.762 1.00 1.13 H new ATOM 0 HB3 ALA A 27 12.261 -5.731 -3.344 1.00 1.13 H new ATOM 446 N VAL A 28 14.459 -7.802 -4.977 1.00 71.21 N ATOM 447 CA VAL A 28 15.871 -7.612 -5.382 1.00 22.15 C ATOM 448 C VAL A 28 16.080 -6.153 -5.854 1.00 73.04 C ATOM 449 O VAL A 28 17.172 -5.594 -5.730 1.00 5.32 O ATOM 450 CB VAL A 28 16.291 -8.630 -6.515 1.00 44.44 C ATOM 451 CG1 VAL A 28 17.790 -8.484 -6.895 1.00 61.13 C ATOM 452 CG2 VAL A 28 15.961 -10.090 -6.102 1.00 50.51 C ATOM 0 H VAL A 28 13.820 -7.918 -5.764 1.00 71.21 H new ATOM 0 HA VAL A 28 16.508 -7.808 -4.519 1.00 22.15 H new ATOM 0 HB VAL A 28 15.706 -8.387 -7.402 1.00 44.44 H new ATOM 0 HG11 VAL A 28 18.039 -9.201 -7.677 1.00 61.13 H new ATOM 0 HG12 VAL A 28 17.977 -7.473 -7.257 1.00 61.13 H new ATOM 0 HG13 VAL A 28 18.408 -8.675 -6.018 1.00 61.13 H new ATOM 0 HG21 VAL A 28 16.260 -10.770 -6.900 1.00 50.51 H new ATOM 0 HG22 VAL A 28 16.501 -10.341 -5.189 1.00 50.51 H new ATOM 0 HG23 VAL A 28 14.889 -10.185 -5.927 1.00 50.51 H new ATOM 462 N ARG A 29 15.001 -5.541 -6.384 1.00 34.14 N ATOM 463 CA ARG A 29 14.985 -4.129 -6.822 1.00 65.32 C ATOM 464 C ARG A 29 13.751 -3.414 -6.232 1.00 14.11 C ATOM 465 O ARG A 29 12.884 -4.053 -5.625 1.00 72.51 O ATOM 466 CB ARG A 29 14.932 -4.034 -8.376 1.00 74.11 C ATOM 467 CG ARG A 29 16.079 -4.720 -9.143 1.00 4.43 C ATOM 468 CD ARG A 29 15.861 -4.654 -10.664 1.00 5.31 C ATOM 469 NE ARG A 29 16.954 -5.251 -11.441 1.00 63.32 N ATOM 470 CZ ARG A 29 17.120 -5.096 -12.768 1.00 64.13 C ATOM 471 NH1 ARG A 29 16.276 -4.357 -13.490 1.00 41.12 N ATOM 472 NH2 ARG A 29 18.153 -5.664 -13.364 1.00 41.44 N ATOM 0 H ARG A 29 14.109 -6.016 -6.521 1.00 34.14 H new ATOM 0 HA ARG A 29 15.898 -3.651 -6.468 1.00 65.32 H new ATOM 0 HB2 ARG A 29 13.989 -4.466 -8.713 1.00 74.11 H new ATOM 0 HB3 ARG A 29 14.917 -2.980 -8.654 1.00 74.11 H new ATOM 0 HG2 ARG A 29 17.025 -4.241 -8.889 1.00 4.43 H new ATOM 0 HG3 ARG A 29 16.155 -5.761 -8.830 1.00 4.43 H new ATOM 0 HD2 ARG A 29 14.930 -5.164 -10.912 1.00 5.31 H new ATOM 0 HD3 ARG A 29 15.743 -3.612 -10.961 1.00 5.31 H new ATOM 0 HE ARG A 29 17.635 -5.823 -10.941 1.00 63.32 H new ATOM 0 HH11 ARG A 29 15.486 -3.896 -13.038 1.00 41.12 H new ATOM 0 HH12 ARG A 29 16.420 -4.253 -14.494 1.00 41.12 H new ATOM 0 HH21 ARG A 29 18.817 -6.215 -12.819 1.00 41.44 H new ATOM 0 HH22 ARG A 29 18.287 -5.552 -14.369 1.00 41.44 H new ATOM 486 N ASP A 30 13.672 -2.090 -6.450 1.00 54.10 N ATOM 487 CA ASP A 30 12.503 -1.270 -6.076 1.00 31.21 C ATOM 488 C ASP A 30 11.323 -1.572 -7.026 1.00 23.32 C ATOM 489 O ASP A 30 10.171 -1.670 -6.592 1.00 74.34 O ATOM 490 CB ASP A 30 12.866 0.251 -6.099 1.00 50.04 C ATOM 491 CG ASP A 30 13.176 0.815 -7.505 1.00 1.42 C ATOM 492 OD1 ASP A 30 13.999 0.210 -8.235 1.00 13.14 O ATOM 493 OD2 ASP A 30 12.580 1.844 -7.899 1.00 42.33 O ATOM 0 H ASP A 30 14.419 -1.555 -6.892 1.00 54.10 H new ATOM 0 HA ASP A 30 12.204 -1.525 -5.059 1.00 31.21 H new ATOM 0 HB2 ASP A 30 12.039 0.816 -5.669 1.00 50.04 H new ATOM 0 HB3 ASP A 30 13.731 0.415 -5.457 1.00 50.04 H new ATOM 498 N GLU A 31 11.647 -1.755 -8.329 1.00 31.44 N ATOM 499 CA GLU A 31 10.659 -2.024 -9.401 1.00 23.32 C ATOM 500 C GLU A 31 9.936 -3.376 -9.179 1.00 40.50 C ATOM 501 O GLU A 31 8.794 -3.547 -9.605 1.00 4.41 O ATOM 502 CB GLU A 31 11.357 -1.991 -10.793 1.00 44.43 C ATOM 503 CG GLU A 31 12.481 -3.032 -10.971 1.00 63.12 C ATOM 504 CD GLU A 31 13.181 -2.992 -12.342 1.00 24.14 C ATOM 505 OE1 GLU A 31 14.182 -2.256 -12.494 1.00 72.44 O ATOM 506 OE2 GLU A 31 12.755 -3.717 -13.262 1.00 40.42 O ATOM 0 H GLU A 31 12.609 -1.720 -8.668 1.00 31.44 H new ATOM 0 HA GLU A 31 9.902 -1.241 -9.369 1.00 23.32 H new ATOM 0 HB2 GLU A 31 10.605 -2.151 -11.566 1.00 44.43 H new ATOM 0 HB3 GLU A 31 11.772 -0.996 -10.953 1.00 44.43 H new ATOM 0 HG2 GLU A 31 13.228 -2.878 -10.192 1.00 63.12 H new ATOM 0 HG3 GLU A 31 12.064 -4.027 -10.820 1.00 63.12 H new ATOM 513 N GLU A 32 10.616 -4.312 -8.483 1.00 11.32 N ATOM 514 CA GLU A 32 10.069 -5.646 -8.153 1.00 22.42 C ATOM 515 C GLU A 32 8.908 -5.541 -7.150 1.00 52.12 C ATOM 516 O GLU A 32 7.961 -6.334 -7.195 1.00 33.31 O ATOM 517 CB GLU A 32 11.184 -6.556 -7.568 1.00 20.33 C ATOM 518 CG GLU A 32 12.389 -6.776 -8.495 1.00 71.43 C ATOM 519 CD GLU A 32 12.003 -7.346 -9.864 1.00 64.13 C ATOM 520 OE1 GLU A 32 11.628 -8.536 -9.926 1.00 11.25 O ATOM 521 OE2 GLU A 32 12.051 -6.613 -10.878 1.00 21.12 O ATOM 0 H GLU A 32 11.563 -4.164 -8.133 1.00 11.32 H new ATOM 0 HA GLU A 32 9.688 -6.086 -9.075 1.00 22.42 H new ATOM 0 HB2 GLU A 32 11.537 -6.119 -6.634 1.00 20.33 H new ATOM 0 HB3 GLU A 32 10.751 -7.526 -7.323 1.00 20.33 H new ATOM 0 HG2 GLU A 32 12.908 -5.828 -8.637 1.00 71.43 H new ATOM 0 HG3 GLU A 32 13.092 -7.455 -8.011 1.00 71.43 H new ATOM 528 N LEU A 33 8.999 -4.537 -6.258 1.00 5.43 N ATOM 529 CA LEU A 33 8.015 -4.304 -5.181 1.00 42.31 C ATOM 530 C LEU A 33 6.645 -3.860 -5.774 1.00 62.11 C ATOM 531 O LEU A 33 5.614 -4.007 -5.110 1.00 40.51 O ATOM 532 CB LEU A 33 8.583 -3.258 -4.150 1.00 44.04 C ATOM 533 CG LEU A 33 8.404 -3.584 -2.615 1.00 30.41 C ATOM 534 CD1 LEU A 33 6.926 -3.767 -2.209 1.00 64.01 C ATOM 535 CD2 LEU A 33 9.247 -4.816 -2.189 1.00 33.01 C ATOM 0 H LEU A 33 9.762 -3.860 -6.263 1.00 5.43 H new ATOM 0 HA LEU A 33 7.842 -5.237 -4.645 1.00 42.31 H new ATOM 0 HB2 LEU A 33 9.648 -3.134 -4.347 1.00 44.04 H new ATOM 0 HB3 LEU A 33 8.109 -2.297 -4.348 1.00 44.04 H new ATOM 0 HG LEU A 33 8.776 -2.712 -2.078 1.00 30.41 H new ATOM 0 HD11 LEU A 33 6.866 -3.989 -1.144 1.00 64.01 H new ATOM 0 HD12 LEU A 33 6.375 -2.851 -2.420 1.00 64.01 H new ATOM 0 HD13 LEU A 33 6.492 -4.591 -2.776 1.00 64.01 H new ATOM 0 HD21 LEU A 33 9.098 -5.009 -1.127 1.00 33.01 H new ATOM 0 HD22 LEU A 33 8.934 -5.688 -2.764 1.00 33.01 H new ATOM 0 HD23 LEU A 33 10.302 -4.617 -2.377 1.00 33.01 H new ATOM 547 N LYS A 34 6.650 -3.354 -7.039 1.00 45.43 N ATOM 548 CA LYS A 34 5.424 -2.900 -7.736 1.00 51.11 C ATOM 549 C LYS A 34 4.359 -4.006 -7.826 1.00 64.13 C ATOM 550 O LYS A 34 3.256 -3.848 -7.290 1.00 40.34 O ATOM 551 CB LYS A 34 5.720 -2.386 -9.173 1.00 53.20 C ATOM 552 CG LYS A 34 6.419 -1.012 -9.254 1.00 21.44 C ATOM 553 CD LYS A 34 6.291 -0.386 -10.662 1.00 62.54 C ATOM 554 CE LYS A 34 4.814 -0.221 -11.090 1.00 51.55 C ATOM 555 NZ LYS A 34 4.666 0.331 -12.461 1.00 2.15 N ATOM 0 H LYS A 34 7.499 -3.252 -7.595 1.00 45.43 H new ATOM 0 HA LYS A 34 5.040 -2.079 -7.131 1.00 51.11 H new ATOM 0 HB2 LYS A 34 6.342 -3.122 -9.683 1.00 53.20 H new ATOM 0 HB3 LYS A 34 4.780 -2.329 -9.721 1.00 53.20 H new ATOM 0 HG2 LYS A 34 5.984 -0.339 -8.516 1.00 21.44 H new ATOM 0 HG3 LYS A 34 7.473 -1.125 -9.001 1.00 21.44 H new ATOM 0 HD2 LYS A 34 6.782 0.587 -10.672 1.00 62.54 H new ATOM 0 HD3 LYS A 34 6.811 -1.013 -11.386 1.00 62.54 H new ATOM 0 HE2 LYS A 34 4.316 -1.189 -11.038 1.00 51.55 H new ATOM 0 HE3 LYS A 34 4.308 0.436 -10.383 1.00 51.55 H new ATOM 0 HZ1 LYS A 34 3.656 0.419 -12.693 1.00 2.15 H new ATOM 0 HZ2 LYS A 34 5.115 1.268 -12.508 1.00 2.15 H new ATOM 0 HZ3 LYS A 34 5.123 -0.307 -13.143 1.00 2.15 H new ATOM 569 N GLU A 35 4.717 -5.120 -8.508 1.00 10.32 N ATOM 570 CA GLU A 35 3.800 -6.257 -8.755 1.00 31.54 C ATOM 571 C GLU A 35 3.251 -6.838 -7.443 1.00 14.01 C ATOM 572 O GLU A 35 2.115 -7.299 -7.392 1.00 2.31 O ATOM 573 CB GLU A 35 4.501 -7.378 -9.577 1.00 3.43 C ATOM 574 CG GLU A 35 5.660 -8.105 -8.855 1.00 44.22 C ATOM 575 CD GLU A 35 6.201 -9.303 -9.646 1.00 55.41 C ATOM 576 OE1 GLU A 35 5.464 -10.307 -9.790 1.00 41.01 O ATOM 577 OE2 GLU A 35 7.364 -9.271 -10.104 1.00 31.22 O ATOM 0 H GLU A 35 5.648 -5.255 -8.902 1.00 10.32 H new ATOM 0 HA GLU A 35 2.963 -5.868 -9.334 1.00 31.54 H new ATOM 0 HB2 GLU A 35 3.753 -8.117 -9.863 1.00 3.43 H new ATOM 0 HB3 GLU A 35 4.886 -6.942 -10.499 1.00 3.43 H new ATOM 0 HG2 GLU A 35 6.470 -7.398 -8.677 1.00 44.22 H new ATOM 0 HG3 GLU A 35 5.315 -8.447 -7.879 1.00 44.22 H new ATOM 584 N LYS A 36 4.076 -6.767 -6.386 1.00 75.54 N ATOM 585 CA LYS A 36 3.742 -7.276 -5.052 1.00 65.31 C ATOM 586 C LYS A 36 2.606 -6.446 -4.434 1.00 10.33 C ATOM 587 O LYS A 36 1.628 -7.002 -3.945 1.00 21.01 O ATOM 588 CB LYS A 36 5.012 -7.255 -4.161 1.00 50.22 C ATOM 589 CG LYS A 36 6.193 -8.020 -4.794 1.00 52.31 C ATOM 590 CD LYS A 36 7.489 -7.969 -3.954 1.00 4.14 C ATOM 591 CE LYS A 36 8.665 -8.651 -4.673 1.00 65.13 C ATOM 592 NZ LYS A 36 8.414 -10.095 -4.934 1.00 70.02 N ATOM 0 H LYS A 36 5.005 -6.349 -6.438 1.00 75.54 H new ATOM 0 HA LYS A 36 3.391 -8.305 -5.128 1.00 65.31 H new ATOM 0 HB2 LYS A 36 5.308 -6.222 -3.981 1.00 50.22 H new ATOM 0 HB3 LYS A 36 4.778 -7.693 -3.191 1.00 50.22 H new ATOM 0 HG2 LYS A 36 5.905 -9.061 -4.937 1.00 52.31 H new ATOM 0 HG3 LYS A 36 6.395 -7.606 -5.782 1.00 52.31 H new ATOM 0 HD2 LYS A 36 7.745 -6.931 -3.744 1.00 4.14 H new ATOM 0 HD3 LYS A 36 7.319 -8.456 -2.994 1.00 4.14 H new ATOM 0 HE2 LYS A 36 8.853 -8.142 -5.618 1.00 65.13 H new ATOM 0 HE3 LYS A 36 9.566 -8.546 -4.069 1.00 65.13 H new ATOM 0 HZ1 LYS A 36 9.273 -10.531 -5.327 1.00 70.02 H new ATOM 0 HZ2 LYS A 36 8.161 -10.570 -4.044 1.00 70.02 H new ATOM 0 HZ3 LYS A 36 7.633 -10.194 -5.614 1.00 70.02 H new ATOM 606 N LEU A 37 2.746 -5.108 -4.512 1.00 61.01 N ATOM 607 CA LEU A 37 1.734 -4.149 -4.029 1.00 34.32 C ATOM 608 C LEU A 37 0.413 -4.262 -4.815 1.00 13.12 C ATOM 609 O LEU A 37 -0.651 -4.338 -4.207 1.00 14.23 O ATOM 610 CB LEU A 37 2.284 -2.703 -4.098 1.00 21.44 C ATOM 611 CG LEU A 37 3.481 -2.401 -3.152 1.00 60.10 C ATOM 612 CD1 LEU A 37 4.059 -1.003 -3.430 1.00 33.40 C ATOM 613 CD2 LEU A 37 3.073 -2.574 -1.667 1.00 70.43 C ATOM 0 H LEU A 37 3.569 -4.660 -4.914 1.00 61.01 H new ATOM 0 HA LEU A 37 1.517 -4.397 -2.990 1.00 34.32 H new ATOM 0 HB2 LEU A 37 2.592 -2.498 -5.123 1.00 21.44 H new ATOM 0 HB3 LEU A 37 1.474 -2.012 -3.864 1.00 21.44 H new ATOM 0 HG LEU A 37 4.270 -3.125 -3.355 1.00 60.10 H new ATOM 0 HD11 LEU A 37 4.895 -0.814 -2.756 1.00 33.40 H new ATOM 0 HD12 LEU A 37 4.406 -0.951 -4.462 1.00 33.40 H new ATOM 0 HD13 LEU A 37 3.286 -0.251 -3.269 1.00 33.40 H new ATOM 0 HD21 LEU A 37 3.928 -2.357 -1.027 1.00 70.43 H new ATOM 0 HD22 LEU A 37 2.260 -1.888 -1.431 1.00 70.43 H new ATOM 0 HD23 LEU A 37 2.744 -3.599 -1.497 1.00 70.43 H new ATOM 625 N LYS A 38 0.496 -4.284 -6.165 1.00 21.01 N ATOM 626 CA LYS A 38 -0.683 -4.386 -7.058 1.00 73.21 C ATOM 627 C LYS A 38 -1.473 -5.685 -6.805 1.00 43.22 C ATOM 628 O LYS A 38 -2.705 -5.666 -6.778 1.00 5.54 O ATOM 629 CB LYS A 38 -0.232 -4.291 -8.544 1.00 12.01 C ATOM 630 CG LYS A 38 0.472 -2.961 -8.891 1.00 25.05 C ATOM 631 CD LYS A 38 1.006 -2.899 -10.338 1.00 41.55 C ATOM 632 CE LYS A 38 -0.106 -2.969 -11.399 1.00 2.34 C ATOM 633 NZ LYS A 38 0.452 -2.888 -12.774 1.00 0.31 N ATOM 0 H LYS A 38 1.382 -4.232 -6.667 1.00 21.01 H new ATOM 0 HA LYS A 38 -1.351 -3.554 -6.838 1.00 73.21 H new ATOM 0 HB2 LYS A 38 0.443 -5.118 -8.764 1.00 12.01 H new ATOM 0 HB3 LYS A 38 -1.103 -4.410 -9.188 1.00 12.01 H new ATOM 0 HG2 LYS A 38 -0.227 -2.139 -8.736 1.00 25.05 H new ATOM 0 HG3 LYS A 38 1.301 -2.809 -8.200 1.00 25.05 H new ATOM 0 HD2 LYS A 38 1.569 -1.975 -10.471 1.00 41.55 H new ATOM 0 HD3 LYS A 38 1.703 -3.722 -10.497 1.00 41.55 H new ATOM 0 HE2 LYS A 38 -0.662 -3.899 -11.285 1.00 2.34 H new ATOM 0 HE3 LYS A 38 -0.812 -2.154 -11.243 1.00 2.34 H new ATOM 0 HZ1 LYS A 38 -0.085 -2.189 -13.326 1.00 0.31 H new ATOM 0 HZ2 LYS A 38 1.450 -2.599 -12.727 1.00 0.31 H new ATOM 0 HZ3 LYS A 38 0.382 -3.819 -13.232 1.00 0.31 H new ATOM 647 N LYS A 39 -0.747 -6.801 -6.601 1.00 35.43 N ATOM 648 CA LYS A 39 -1.362 -8.099 -6.261 1.00 31.24 C ATOM 649 C LYS A 39 -2.015 -8.058 -4.863 1.00 25.53 C ATOM 650 O LYS A 39 -3.187 -8.373 -4.736 1.00 31.10 O ATOM 651 CB LYS A 39 -0.330 -9.263 -6.366 1.00 20.30 C ATOM 652 CG LYS A 39 0.084 -9.626 -7.820 1.00 64.24 C ATOM 653 CD LYS A 39 -1.096 -10.097 -8.709 1.00 41.11 C ATOM 654 CE LYS A 39 -1.752 -11.386 -8.189 1.00 50.25 C ATOM 655 NZ LYS A 39 -2.967 -11.762 -8.962 1.00 23.51 N ATOM 0 H LYS A 39 0.271 -6.829 -6.666 1.00 35.43 H new ATOM 0 HA LYS A 39 -2.149 -8.290 -6.991 1.00 31.24 H new ATOM 0 HB2 LYS A 39 0.564 -8.992 -5.804 1.00 20.30 H new ATOM 0 HB3 LYS A 39 -0.750 -10.149 -5.889 1.00 20.30 H new ATOM 0 HG2 LYS A 39 0.550 -8.756 -8.283 1.00 64.24 H new ATOM 0 HG3 LYS A 39 0.838 -10.412 -7.787 1.00 64.24 H new ATOM 0 HD2 LYS A 39 -1.846 -9.307 -8.759 1.00 41.11 H new ATOM 0 HD3 LYS A 39 -0.737 -10.261 -9.725 1.00 41.11 H new ATOM 0 HE2 LYS A 39 -1.030 -12.201 -8.235 1.00 50.25 H new ATOM 0 HE3 LYS A 39 -2.019 -11.256 -7.140 1.00 50.25 H new ATOM 0 HZ1 LYS A 39 -3.087 -12.795 -8.939 1.00 23.51 H new ATOM 0 HZ2 LYS A 39 -3.802 -11.307 -8.540 1.00 23.51 H new ATOM 0 HZ3 LYS A 39 -2.863 -11.447 -9.948 1.00 23.51 H new ATOM 669 N VAL A 40 -1.258 -7.620 -3.837 1.00 12.41 N ATOM 670 CA VAL A 40 -1.745 -7.545 -2.436 1.00 3.14 C ATOM 671 C VAL A 40 -3.029 -6.689 -2.325 1.00 51.11 C ATOM 672 O VAL A 40 -3.999 -7.101 -1.680 1.00 52.34 O ATOM 673 CB VAL A 40 -0.610 -7.011 -1.457 1.00 4.11 C ATOM 674 CG1 VAL A 40 -1.178 -6.520 -0.102 1.00 70.12 C ATOM 675 CG2 VAL A 40 0.478 -8.101 -1.233 1.00 31.53 C ATOM 0 H VAL A 40 -0.294 -7.308 -3.951 1.00 12.41 H new ATOM 0 HA VAL A 40 -2.000 -8.558 -2.126 1.00 3.14 H new ATOM 0 HB VAL A 40 -0.153 -6.148 -1.941 1.00 4.11 H new ATOM 0 HG11 VAL A 40 -0.362 -6.166 0.528 1.00 70.12 H new ATOM 0 HG12 VAL A 40 -1.881 -5.706 -0.276 1.00 70.12 H new ATOM 0 HG13 VAL A 40 -1.691 -7.342 0.397 1.00 70.12 H new ATOM 0 HG21 VAL A 40 1.245 -7.717 -0.561 1.00 31.53 H new ATOM 0 HG22 VAL A 40 0.020 -8.987 -0.793 1.00 31.53 H new ATOM 0 HG23 VAL A 40 0.932 -8.364 -2.189 1.00 31.53 H new ATOM 685 N LEU A 41 -3.037 -5.533 -3.008 1.00 25.31 N ATOM 686 CA LEU A 41 -4.172 -4.598 -2.989 1.00 22.32 C ATOM 687 C LEU A 41 -5.387 -5.187 -3.740 1.00 13.33 C ATOM 688 O LEU A 41 -6.462 -5.277 -3.166 1.00 31.01 O ATOM 689 CB LEU A 41 -3.742 -3.209 -3.551 1.00 75.02 C ATOM 690 CG LEU A 41 -2.762 -2.398 -2.630 1.00 2.30 C ATOM 691 CD1 LEU A 41 -2.171 -1.179 -3.364 1.00 21.31 C ATOM 692 CD2 LEU A 41 -3.457 -1.970 -1.312 1.00 15.54 C ATOM 0 H LEU A 41 -2.258 -5.221 -3.588 1.00 25.31 H new ATOM 0 HA LEU A 41 -4.486 -4.447 -1.956 1.00 22.32 H new ATOM 0 HB2 LEU A 41 -3.267 -3.357 -4.521 1.00 75.02 H new ATOM 0 HB3 LEU A 41 -4.636 -2.610 -3.722 1.00 75.02 H new ATOM 0 HG LEU A 41 -1.934 -3.060 -2.374 1.00 2.30 H new ATOM 0 HD11 LEU A 41 -1.498 -0.643 -2.695 1.00 21.31 H new ATOM 0 HD12 LEU A 41 -1.619 -1.515 -4.241 1.00 21.31 H new ATOM 0 HD13 LEU A 41 -2.978 -0.516 -3.675 1.00 21.31 H new ATOM 0 HD21 LEU A 41 -2.754 -1.410 -0.695 1.00 15.54 H new ATOM 0 HD22 LEU A 41 -4.318 -1.342 -1.542 1.00 15.54 H new ATOM 0 HD23 LEU A 41 -3.789 -2.856 -0.771 1.00 15.54 H new ATOM 704 N ASN A 42 -5.198 -5.636 -4.997 1.00 3.12 N ATOM 705 CA ASN A 42 -6.305 -6.172 -5.844 1.00 31.24 C ATOM 706 C ASN A 42 -6.938 -7.460 -5.274 1.00 45.42 C ATOM 707 O ASN A 42 -8.172 -7.592 -5.268 1.00 71.30 O ATOM 708 CB ASN A 42 -5.832 -6.391 -7.314 1.00 24.30 C ATOM 709 CG ASN A 42 -5.620 -5.072 -8.076 1.00 22.52 C ATOM 710 OD1 ASN A 42 -6.299 -4.072 -7.824 1.00 14.41 O ATOM 711 ND2 ASN A 42 -4.682 -5.056 -9.006 1.00 61.50 N ATOM 0 H ASN A 42 -4.288 -5.642 -5.458 1.00 3.12 H new ATOM 0 HA ASN A 42 -7.087 -5.413 -5.836 1.00 31.24 H new ATOM 0 HB2 ASN A 42 -4.900 -6.957 -7.310 1.00 24.30 H new ATOM 0 HB3 ASN A 42 -6.570 -6.995 -7.842 1.00 24.30 H new ATOM 0 HD21 ASN A 42 -4.504 -4.203 -9.536 1.00 61.50 H new ATOM 0 HD22 ASN A 42 -4.136 -5.897 -9.194 1.00 61.50 H new ATOM 718 N GLU A 43 -6.102 -8.391 -4.782 1.00 31.30 N ATOM 719 CA GLU A 43 -6.588 -9.660 -4.208 1.00 52.23 C ATOM 720 C GLU A 43 -7.361 -9.402 -2.897 1.00 72.43 C ATOM 721 O GLU A 43 -8.463 -9.936 -2.705 1.00 25.04 O ATOM 722 CB GLU A 43 -5.428 -10.668 -3.953 1.00 4.22 C ATOM 723 CG GLU A 43 -4.586 -11.083 -5.192 1.00 54.31 C ATOM 724 CD GLU A 43 -5.407 -11.375 -6.461 1.00 64.23 C ATOM 725 OE1 GLU A 43 -6.113 -12.410 -6.506 1.00 71.30 O ATOM 726 OE2 GLU A 43 -5.348 -10.568 -7.424 1.00 64.11 O ATOM 0 H GLU A 43 -5.087 -8.289 -4.770 1.00 31.30 H new ATOM 0 HA GLU A 43 -7.261 -10.106 -4.940 1.00 52.23 H new ATOM 0 HB2 GLU A 43 -4.755 -10.234 -3.213 1.00 4.22 H new ATOM 0 HB3 GLU A 43 -5.851 -11.570 -3.510 1.00 4.22 H new ATOM 0 HG2 GLU A 43 -3.873 -10.288 -5.412 1.00 54.31 H new ATOM 0 HG3 GLU A 43 -4.006 -11.971 -4.939 1.00 54.31 H new ATOM 733 N ARG A 44 -6.787 -8.558 -2.011 1.00 63.21 N ATOM 734 CA ARG A 44 -7.378 -8.270 -0.683 1.00 53.20 C ATOM 735 C ARG A 44 -8.666 -7.434 -0.807 1.00 5.05 C ATOM 736 O ARG A 44 -9.612 -7.614 -0.029 1.00 43.12 O ATOM 737 CB ARG A 44 -6.361 -7.540 0.250 1.00 1.22 C ATOM 738 CG ARG A 44 -6.849 -7.370 1.710 1.00 65.25 C ATOM 739 CD ARG A 44 -7.167 -8.724 2.376 1.00 1.51 C ATOM 740 NE ARG A 44 -7.892 -8.572 3.643 1.00 60.21 N ATOM 741 CZ ARG A 44 -9.216 -8.725 3.810 1.00 53.53 C ATOM 742 NH1 ARG A 44 -10.011 -9.027 2.784 1.00 52.02 N ATOM 743 NH2 ARG A 44 -9.734 -8.600 5.019 1.00 35.14 N ATOM 0 H ARG A 44 -5.914 -8.063 -2.191 1.00 63.21 H new ATOM 0 HA ARG A 44 -7.630 -9.232 -0.236 1.00 53.20 H new ATOM 0 HB2 ARG A 44 -5.424 -8.097 0.254 1.00 1.22 H new ATOM 0 HB3 ARG A 44 -6.145 -6.556 -0.166 1.00 1.22 H new ATOM 0 HG2 ARG A 44 -6.085 -6.852 2.289 1.00 65.25 H new ATOM 0 HG3 ARG A 44 -7.740 -6.742 1.723 1.00 65.25 H new ATOM 0 HD2 ARG A 44 -7.761 -9.331 1.692 1.00 1.51 H new ATOM 0 HD3 ARG A 44 -6.237 -9.264 2.556 1.00 1.51 H new ATOM 0 HE ARG A 44 -7.343 -8.329 4.468 1.00 60.21 H new ATOM 0 HH11 ARG A 44 -9.616 -9.146 1.851 1.00 52.02 H new ATOM 0 HH12 ARG A 44 -11.014 -9.139 2.932 1.00 52.02 H new ATOM 0 HH21 ARG A 44 -9.130 -8.389 5.813 1.00 35.14 H new ATOM 0 HH22 ARG A 44 -10.738 -8.714 5.158 1.00 35.14 H new ATOM 757 N MET A 45 -8.692 -6.525 -1.793 1.00 20.13 N ATOM 758 CA MET A 45 -9.817 -5.598 -1.991 1.00 71.20 C ATOM 759 C MET A 45 -10.932 -6.184 -2.857 1.00 3.03 C ATOM 760 O MET A 45 -11.992 -5.576 -2.954 1.00 42.42 O ATOM 761 CB MET A 45 -9.352 -4.249 -2.578 1.00 61.45 C ATOM 762 CG MET A 45 -8.495 -3.411 -1.624 1.00 30.31 C ATOM 763 SD MET A 45 -8.303 -1.722 -2.197 1.00 54.55 S ATOM 764 CE MET A 45 -10.014 -1.176 -2.297 1.00 30.43 C ATOM 0 H MET A 45 -7.939 -6.412 -2.472 1.00 20.13 H new ATOM 0 HA MET A 45 -10.229 -5.428 -0.996 1.00 71.20 H new ATOM 0 HB2 MET A 45 -8.783 -4.438 -3.488 1.00 61.45 H new ATOM 0 HB3 MET A 45 -10.229 -3.669 -2.865 1.00 61.45 H new ATOM 0 HG2 MET A 45 -8.952 -3.408 -0.635 1.00 30.31 H new ATOM 0 HG3 MET A 45 -7.513 -3.872 -1.520 1.00 30.31 H new ATOM 0 HE1 MET A 45 -10.046 -0.137 -2.624 1.00 30.43 H new ATOM 0 HE2 MET A 45 -10.553 -1.798 -3.012 1.00 30.43 H new ATOM 0 HE3 MET A 45 -10.481 -1.263 -1.316 1.00 30.43 H new ATOM 774 N ASP A 46 -10.711 -7.360 -3.456 1.00 1.14 N ATOM 775 CA ASP A 46 -11.736 -8.033 -4.274 1.00 60.13 C ATOM 776 C ASP A 46 -13.010 -8.385 -3.429 1.00 14.33 C ATOM 777 O ASP A 46 -14.126 -8.043 -3.856 1.00 12.24 O ATOM 778 CB ASP A 46 -11.145 -9.270 -5.006 1.00 54.24 C ATOM 779 CG ASP A 46 -12.134 -9.881 -6.003 1.00 30.33 C ATOM 780 OD1 ASP A 46 -12.256 -9.340 -7.125 1.00 5.00 O ATOM 781 OD2 ASP A 46 -12.812 -10.877 -5.674 1.00 20.45 O ATOM 0 H ASP A 46 -9.830 -7.869 -3.391 1.00 1.14 H new ATOM 0 HA ASP A 46 -12.062 -7.335 -5.045 1.00 60.13 H new ATOM 0 HB2 ASP A 46 -10.236 -8.979 -5.532 1.00 54.24 H new ATOM 0 HB3 ASP A 46 -10.861 -10.023 -4.271 1.00 54.24 H new ATOM 786 N PRO A 47 -12.887 -9.014 -2.194 1.00 21.32 N ATOM 787 CA PRO A 47 -14.054 -9.186 -1.264 1.00 63.31 C ATOM 788 C PRO A 47 -14.561 -7.850 -0.649 1.00 2.35 C ATOM 789 O PRO A 47 -15.693 -7.784 -0.149 1.00 35.33 O ATOM 790 CB PRO A 47 -13.511 -10.132 -0.172 1.00 61.43 C ATOM 791 CG PRO A 47 -12.036 -9.880 -0.173 1.00 71.35 C ATOM 792 CD PRO A 47 -11.670 -9.665 -1.620 1.00 31.32 C ATOM 0 HA PRO A 47 -14.925 -9.577 -1.789 1.00 63.31 H new ATOM 0 HB2 PRO A 47 -13.952 -9.913 0.800 1.00 61.43 H new ATOM 0 HB3 PRO A 47 -13.738 -11.174 -0.398 1.00 61.43 H new ATOM 0 HG2 PRO A 47 -11.786 -9.007 0.430 1.00 71.35 H new ATOM 0 HG3 PRO A 47 -11.492 -10.725 0.249 1.00 71.35 H new ATOM 0 HD2 PRO A 47 -10.790 -9.030 -1.721 1.00 31.32 H new ATOM 0 HD3 PRO A 47 -11.444 -10.606 -2.121 1.00 31.32 H new ATOM 800 N ILE A 48 -13.715 -6.802 -0.673 1.00 44.32 N ATOM 801 CA ILE A 48 -14.071 -5.447 -0.183 1.00 71.13 C ATOM 802 C ILE A 48 -15.014 -4.734 -1.193 1.00 62.32 C ATOM 803 O ILE A 48 -15.936 -3.992 -0.804 1.00 14.53 O ATOM 804 CB ILE A 48 -12.754 -4.616 0.067 1.00 12.14 C ATOM 805 CG1 ILE A 48 -11.862 -5.290 1.171 1.00 2.23 C ATOM 806 CG2 ILE A 48 -13.031 -3.132 0.385 1.00 12.40 C ATOM 807 CD1 ILE A 48 -12.493 -5.402 2.554 1.00 51.13 C ATOM 0 H ILE A 48 -12.763 -6.867 -1.033 1.00 44.32 H new ATOM 0 HA ILE A 48 -14.609 -5.530 0.761 1.00 71.13 H new ATOM 0 HB ILE A 48 -12.196 -4.624 -0.869 1.00 12.14 H new ATOM 0 HG12 ILE A 48 -11.592 -6.291 0.833 1.00 2.23 H new ATOM 0 HG13 ILE A 48 -10.935 -4.723 1.260 1.00 2.23 H new ATOM 0 HG21 ILE A 48 -12.087 -2.612 0.547 1.00 12.40 H new ATOM 0 HG22 ILE A 48 -13.559 -2.673 -0.451 1.00 12.40 H new ATOM 0 HG23 ILE A 48 -13.644 -3.061 1.284 1.00 12.40 H new ATOM 0 HD11 ILE A 48 -11.791 -5.882 3.236 1.00 51.13 H new ATOM 0 HD12 ILE A 48 -12.736 -4.406 2.925 1.00 51.13 H new ATOM 0 HD13 ILE A 48 -13.403 -5.998 2.491 1.00 51.13 H new ATOM 819 N LYS A 49 -14.800 -5.008 -2.494 1.00 41.33 N ATOM 820 CA LYS A 49 -15.671 -4.545 -3.584 1.00 4.44 C ATOM 821 C LYS A 49 -16.991 -5.340 -3.565 1.00 42.12 C ATOM 822 O LYS A 49 -18.050 -4.823 -3.924 1.00 34.51 O ATOM 823 CB LYS A 49 -14.933 -4.741 -4.929 1.00 35.53 C ATOM 824 CG LYS A 49 -13.603 -3.956 -5.052 1.00 24.44 C ATOM 825 CD LYS A 49 -12.592 -4.547 -6.072 1.00 31.13 C ATOM 826 CE LYS A 49 -13.047 -4.510 -7.536 1.00 4.44 C ATOM 827 NZ LYS A 49 -14.083 -5.526 -7.871 1.00 71.44 N ATOM 0 H LYS A 49 -14.008 -5.563 -2.818 1.00 41.33 H new ATOM 0 HA LYS A 49 -15.906 -3.488 -3.456 1.00 4.44 H new ATOM 0 HB2 LYS A 49 -14.727 -5.803 -5.065 1.00 35.53 H new ATOM 0 HB3 LYS A 49 -15.595 -4.438 -5.740 1.00 35.53 H new ATOM 0 HG2 LYS A 49 -13.828 -2.929 -5.338 1.00 24.44 H new ATOM 0 HG3 LYS A 49 -13.128 -3.917 -4.072 1.00 24.44 H new ATOM 0 HD2 LYS A 49 -11.652 -4.001 -5.986 1.00 31.13 H new ATOM 0 HD3 LYS A 49 -12.386 -5.582 -5.798 1.00 31.13 H new ATOM 0 HE2 LYS A 49 -13.439 -3.518 -7.760 1.00 4.44 H new ATOM 0 HE3 LYS A 49 -12.181 -4.663 -8.180 1.00 4.44 H new ATOM 0 HZ1 LYS A 49 -14.170 -5.606 -8.904 1.00 71.44 H new ATOM 0 HZ2 LYS A 49 -13.807 -6.447 -7.475 1.00 71.44 H new ATOM 0 HZ3 LYS A 49 -14.997 -5.236 -7.468 1.00 71.44 H new ATOM 841 N LYS A 50 -16.879 -6.618 -3.147 1.00 14.20 N ATOM 842 CA LYS A 50 -18.021 -7.521 -2.898 1.00 34.12 C ATOM 843 C LYS A 50 -18.875 -7.010 -1.711 1.00 73.13 C ATOM 844 O LYS A 50 -20.080 -7.259 -1.664 1.00 24.32 O ATOM 845 CB LYS A 50 -17.465 -8.967 -2.682 1.00 23.54 C ATOM 846 CG LYS A 50 -18.496 -10.130 -2.581 1.00 35.23 C ATOM 847 CD LYS A 50 -19.068 -10.373 -1.159 1.00 14.32 C ATOM 848 CE LYS A 50 -17.974 -10.716 -0.128 1.00 12.42 C ATOM 849 NZ LYS A 50 -18.539 -11.087 1.198 1.00 3.54 N ATOM 0 H LYS A 50 -15.976 -7.059 -2.970 1.00 14.20 H new ATOM 0 HA LYS A 50 -18.694 -7.541 -3.755 1.00 34.12 H new ATOM 0 HB2 LYS A 50 -16.785 -9.191 -3.504 1.00 23.54 H new ATOM 0 HB3 LYS A 50 -16.871 -8.965 -1.768 1.00 23.54 H new ATOM 0 HG2 LYS A 50 -19.324 -9.923 -3.259 1.00 35.23 H new ATOM 0 HG3 LYS A 50 -18.022 -11.048 -2.928 1.00 35.23 H new ATOM 0 HD2 LYS A 50 -19.605 -9.483 -0.831 1.00 14.32 H new ATOM 0 HD3 LYS A 50 -19.793 -11.186 -1.198 1.00 14.32 H new ATOM 0 HE2 LYS A 50 -17.369 -11.540 -0.505 1.00 12.42 H new ATOM 0 HE3 LYS A 50 -17.309 -9.860 -0.010 1.00 12.42 H new ATOM 0 HZ1 LYS A 50 -17.764 -11.309 1.856 1.00 3.54 H new ATOM 0 HZ2 LYS A 50 -19.095 -10.292 1.573 1.00 3.54 H new ATOM 0 HZ3 LYS A 50 -19.153 -11.920 1.093 1.00 3.54 H new ATOM 863 N LEU A 51 -18.244 -6.277 -0.768 1.00 14.33 N ATOM 864 CA LEU A 51 -18.973 -5.581 0.319 1.00 3.21 C ATOM 865 C LEU A 51 -19.644 -4.315 -0.235 1.00 64.01 C ATOM 866 O LEU A 51 -20.736 -3.939 0.209 1.00 75.01 O ATOM 867 CB LEU A 51 -18.034 -5.207 1.506 1.00 43.14 C ATOM 868 CG LEU A 51 -17.437 -6.397 2.319 1.00 43.15 C ATOM 869 CD1 LEU A 51 -16.578 -5.891 3.504 1.00 2.43 C ATOM 870 CD2 LEU A 51 -18.545 -7.365 2.786 1.00 11.21 C ATOM 0 H LEU A 51 -17.232 -6.151 -0.736 1.00 14.33 H new ATOM 0 HA LEU A 51 -19.730 -6.266 0.702 1.00 3.21 H new ATOM 0 HB2 LEU A 51 -17.209 -4.612 1.115 1.00 43.14 H new ATOM 0 HB3 LEU A 51 -18.589 -4.568 2.193 1.00 43.14 H new ATOM 0 HG LEU A 51 -16.776 -6.957 1.657 1.00 43.15 H new ATOM 0 HD11 LEU A 51 -16.176 -6.743 4.052 1.00 2.43 H new ATOM 0 HD12 LEU A 51 -15.757 -5.283 3.125 1.00 2.43 H new ATOM 0 HD13 LEU A 51 -17.196 -5.290 4.171 1.00 2.43 H new ATOM 0 HD21 LEU A 51 -18.099 -8.184 3.350 1.00 11.21 H new ATOM 0 HD22 LEU A 51 -19.252 -6.830 3.421 1.00 11.21 H new ATOM 0 HD23 LEU A 51 -19.068 -7.765 1.918 1.00 11.21 H new ATOM 882 N GLY A 52 -18.964 -3.667 -1.198 1.00 22.40 N ATOM 883 CA GLY A 52 -19.485 -2.470 -1.860 1.00 22.54 C ATOM 884 C GLY A 52 -19.309 -1.221 -1.017 1.00 4.12 C ATOM 885 O GLY A 52 -20.183 -0.341 -0.997 1.00 22.31 O ATOM 0 H GLY A 52 -18.046 -3.960 -1.533 1.00 22.40 H new ATOM 0 HA2 GLY A 52 -18.976 -2.336 -2.815 1.00 22.54 H new ATOM 0 HA3 GLY A 52 -20.543 -2.611 -2.080 1.00 22.54 H new ATOM 889 N CYS A 53 -18.181 -1.162 -0.286 1.00 61.20 N ATOM 890 CA CYS A 53 -17.814 0.001 0.529 1.00 34.13 C ATOM 891 C CYS A 53 -17.443 1.166 -0.391 1.00 2.32 C ATOM 892 O CYS A 53 -16.328 1.217 -0.908 1.00 52.22 O ATOM 893 CB CYS A 53 -16.660 -0.367 1.466 1.00 21.23 C ATOM 894 SG CYS A 53 -17.096 -1.715 2.597 1.00 12.50 S ATOM 0 H CYS A 53 -17.501 -1.921 -0.246 1.00 61.20 H new ATOM 0 HA CYS A 53 -18.658 0.309 1.146 1.00 34.13 H new ATOM 0 HB2 CYS A 53 -15.793 -0.659 0.874 1.00 21.23 H new ATOM 0 HB3 CYS A 53 -16.370 0.510 2.044 1.00 21.23 H new ATOM 899 N LYS A 54 -18.418 2.080 -0.580 1.00 64.12 N ATOM 900 CA LYS A 54 -18.377 3.170 -1.583 1.00 31.24 C ATOM 901 C LYS A 54 -17.122 4.046 -1.438 1.00 33.53 C ATOM 902 O LYS A 54 -16.605 4.564 -2.410 1.00 44.54 O ATOM 903 CB LYS A 54 -19.661 4.023 -1.450 1.00 52.24 C ATOM 904 CG LYS A 54 -20.975 3.217 -1.617 1.00 64.11 C ATOM 905 CD LYS A 54 -22.243 4.037 -1.273 1.00 52.23 C ATOM 906 CE LYS A 54 -22.247 4.522 0.188 1.00 14.13 C ATOM 907 NZ LYS A 54 -23.467 5.301 0.523 1.00 12.51 N ATOM 0 H LYS A 54 -19.276 2.082 -0.028 1.00 64.12 H new ATOM 0 HA LYS A 54 -18.329 2.723 -2.576 1.00 31.24 H new ATOM 0 HB2 LYS A 54 -19.665 4.505 -0.472 1.00 52.24 H new ATOM 0 HB3 LYS A 54 -19.636 4.817 -2.197 1.00 52.24 H new ATOM 0 HG2 LYS A 54 -21.048 2.862 -2.645 1.00 64.11 H new ATOM 0 HG3 LYS A 54 -20.936 2.335 -0.978 1.00 64.11 H new ATOM 0 HD2 LYS A 54 -22.308 4.897 -1.939 1.00 52.23 H new ATOM 0 HD3 LYS A 54 -23.128 3.426 -1.453 1.00 52.23 H new ATOM 0 HE2 LYS A 54 -22.174 3.662 0.854 1.00 14.13 H new ATOM 0 HE3 LYS A 54 -21.366 5.138 0.366 1.00 14.13 H new ATOM 0 HZ1 LYS A 54 -23.423 5.605 1.517 1.00 12.51 H new ATOM 0 HZ2 LYS A 54 -23.525 6.137 -0.093 1.00 12.51 H new ATOM 0 HZ3 LYS A 54 -24.308 4.707 0.380 1.00 12.51 H new ATOM 921 N ARG A 55 -16.658 4.204 -0.201 1.00 74.24 N ATOM 922 CA ARG A 55 -15.342 4.786 0.103 1.00 3.34 C ATOM 923 C ARG A 55 -14.572 3.787 0.981 1.00 43.12 C ATOM 924 O ARG A 55 -15.148 3.193 1.904 1.00 20.31 O ATOM 925 CB ARG A 55 -15.474 6.152 0.834 1.00 35.13 C ATOM 926 CG ARG A 55 -14.115 6.834 1.174 1.00 63.14 C ATOM 927 CD ARG A 55 -14.251 7.941 2.228 1.00 45.21 C ATOM 928 NE ARG A 55 -14.797 7.417 3.493 1.00 53.31 N ATOM 929 CZ ARG A 55 -14.333 7.691 4.721 1.00 24.11 C ATOM 930 NH1 ARG A 55 -13.285 8.494 4.905 1.00 53.00 N ATOM 931 NH2 ARG A 55 -14.937 7.152 5.767 1.00 73.50 N ATOM 0 H ARG A 55 -17.184 3.931 0.629 1.00 74.24 H new ATOM 0 HA ARG A 55 -14.808 4.973 -0.829 1.00 3.34 H new ATOM 0 HB2 ARG A 55 -16.060 6.828 0.212 1.00 35.13 H new ATOM 0 HB3 ARG A 55 -16.033 6.003 1.758 1.00 35.13 H new ATOM 0 HG2 ARG A 55 -13.416 6.080 1.535 1.00 63.14 H new ATOM 0 HG3 ARG A 55 -13.688 7.256 0.264 1.00 63.14 H new ATOM 0 HD2 ARG A 55 -13.276 8.393 2.411 1.00 45.21 H new ATOM 0 HD3 ARG A 55 -14.901 8.729 1.848 1.00 45.21 H new ATOM 0 HE ARG A 55 -15.599 6.790 3.429 1.00 53.31 H new ATOM 0 HH11 ARG A 55 -12.818 8.915 4.102 1.00 53.00 H new ATOM 0 HH12 ARG A 55 -12.950 8.688 5.849 1.00 53.00 H new ATOM 0 HH21 ARG A 55 -15.741 6.540 5.632 1.00 73.50 H new ATOM 0 HH22 ARG A 55 -14.598 7.349 6.709 1.00 73.50 H new ATOM 945 N VAL A 56 -13.285 3.589 0.680 1.00 2.43 N ATOM 946 CA VAL A 56 -12.377 2.754 1.488 1.00 4.40 C ATOM 947 C VAL A 56 -11.197 3.612 1.963 1.00 3.31 C ATOM 948 O VAL A 56 -10.655 4.400 1.187 1.00 21.22 O ATOM 949 CB VAL A 56 -11.858 1.512 0.664 1.00 44.24 C ATOM 950 CG1 VAL A 56 -13.008 0.516 0.397 1.00 11.35 C ATOM 951 CG2 VAL A 56 -11.185 1.956 -0.665 1.00 15.42 C ATOM 0 H VAL A 56 -12.836 4.005 -0.136 1.00 2.43 H new ATOM 0 HA VAL A 56 -12.923 2.370 2.350 1.00 4.40 H new ATOM 0 HB VAL A 56 -11.100 1.006 1.262 1.00 44.24 H new ATOM 0 HG11 VAL A 56 -12.629 -0.333 -0.172 1.00 11.35 H new ATOM 0 HG12 VAL A 56 -13.413 0.165 1.346 1.00 11.35 H new ATOM 0 HG13 VAL A 56 -13.794 1.012 -0.172 1.00 11.35 H new ATOM 0 HG21 VAL A 56 -10.839 1.077 -1.209 1.00 15.42 H new ATOM 0 HG22 VAL A 56 -11.907 2.499 -1.275 1.00 15.42 H new ATOM 0 HG23 VAL A 56 -10.337 2.604 -0.445 1.00 15.42 H new ATOM 961 N ARG A 57 -10.831 3.494 3.250 1.00 21.14 N ATOM 962 CA ARG A 57 -9.624 4.137 3.797 1.00 12.33 C ATOM 963 C ARG A 57 -8.510 3.089 3.895 1.00 20.25 C ATOM 964 O ARG A 57 -8.576 2.209 4.746 1.00 21.13 O ATOM 965 CB ARG A 57 -9.893 4.743 5.203 1.00 34.40 C ATOM 966 CG ARG A 57 -8.626 5.334 5.857 1.00 44.32 C ATOM 967 CD ARG A 57 -8.781 5.758 7.326 1.00 44.44 C ATOM 968 NE ARG A 57 -7.466 6.138 7.875 1.00 4.11 N ATOM 969 CZ ARG A 57 -7.239 6.810 9.009 1.00 74.31 C ATOM 970 NH1 ARG A 57 -8.237 7.206 9.794 1.00 63.10 N ATOM 971 NH2 ARG A 57 -5.988 7.057 9.361 1.00 5.30 N ATOM 0 H ARG A 57 -11.359 2.955 3.936 1.00 21.14 H new ATOM 0 HA ARG A 57 -9.329 4.949 3.133 1.00 12.33 H new ATOM 0 HB2 ARG A 57 -10.649 5.524 5.118 1.00 34.40 H new ATOM 0 HB3 ARG A 57 -10.304 3.971 5.853 1.00 34.40 H new ATOM 0 HG2 ARG A 57 -7.826 4.597 5.791 1.00 44.32 H new ATOM 0 HG3 ARG A 57 -8.309 6.201 5.277 1.00 44.32 H new ATOM 0 HD2 ARG A 57 -9.473 6.596 7.401 1.00 44.44 H new ATOM 0 HD3 ARG A 57 -9.206 4.940 7.908 1.00 44.44 H new ATOM 0 HE ARG A 57 -6.646 5.860 7.335 1.00 4.11 H new ATOM 0 HH11 ARG A 57 -9.202 6.998 9.536 1.00 63.10 H new ATOM 0 HH12 ARG A 57 -8.038 7.717 10.654 1.00 63.10 H new ATOM 0 HH21 ARG A 57 -5.220 6.737 8.772 1.00 5.30 H new ATOM 0 HH22 ARG A 57 -5.792 7.568 10.222 1.00 5.30 H new ATOM 985 N ILE A 58 -7.505 3.177 3.017 1.00 31.21 N ATOM 986 CA ILE A 58 -6.348 2.261 3.030 1.00 32.30 C ATOM 987 C ILE A 58 -5.129 3.002 3.627 1.00 10.25 C ATOM 988 O ILE A 58 -4.520 3.819 2.950 1.00 2.44 O ATOM 989 CB ILE A 58 -6.004 1.761 1.569 1.00 14.34 C ATOM 990 CG1 ILE A 58 -7.282 1.238 0.837 1.00 71.50 C ATOM 991 CG2 ILE A 58 -4.895 0.676 1.598 1.00 31.33 C ATOM 992 CD1 ILE A 58 -7.070 0.892 -0.626 1.00 53.24 C ATOM 0 H ILE A 58 -7.466 3.880 2.279 1.00 31.21 H new ATOM 0 HA ILE A 58 -6.594 1.390 3.637 1.00 32.30 H new ATOM 0 HB ILE A 58 -5.623 2.613 1.006 1.00 14.34 H new ATOM 0 HG12 ILE A 58 -7.647 0.353 1.358 1.00 71.50 H new ATOM 0 HG13 ILE A 58 -8.063 1.995 0.909 1.00 71.50 H new ATOM 0 HG21 ILE A 58 -4.678 0.350 0.581 1.00 31.33 H new ATOM 0 HG22 ILE A 58 -3.992 1.090 2.046 1.00 31.33 H new ATOM 0 HG23 ILE A 58 -5.235 -0.176 2.187 1.00 31.33 H new ATOM 0 HD11 ILE A 58 -8.007 0.538 -1.056 1.00 53.24 H new ATOM 0 HD12 ILE A 58 -6.736 1.779 -1.165 1.00 53.24 H new ATOM 0 HD13 ILE A 58 -6.314 0.111 -0.709 1.00 53.24 H new ATOM 1004 N SER A 59 -4.782 2.714 4.888 1.00 42.31 N ATOM 1005 CA SER A 59 -3.611 3.284 5.562 1.00 72.42 C ATOM 1006 C SER A 59 -2.481 2.250 5.520 1.00 42.12 C ATOM 1007 O SER A 59 -2.494 1.264 6.261 1.00 20.25 O ATOM 1008 CB SER A 59 -3.983 3.671 7.015 1.00 35.10 C ATOM 1009 OG SER A 59 -5.031 4.628 7.026 1.00 11.41 O ATOM 0 H SER A 59 -5.314 2.071 5.475 1.00 42.31 H new ATOM 0 HA SER A 59 -3.275 4.191 5.059 1.00 72.42 H new ATOM 0 HB2 SER A 59 -4.290 2.782 7.566 1.00 35.10 H new ATOM 0 HB3 SER A 59 -3.108 4.076 7.524 1.00 35.10 H new ATOM 0 HG SER A 59 -5.864 4.204 6.732 1.00 11.41 H new ATOM 1015 N ILE A 60 -1.526 2.469 4.618 1.00 23.05 N ATOM 1016 CA ILE A 60 -0.360 1.607 4.436 1.00 3.32 C ATOM 1017 C ILE A 60 0.823 2.210 5.204 1.00 4.31 C ATOM 1018 O ILE A 60 1.325 3.277 4.839 1.00 13.11 O ATOM 1019 CB ILE A 60 -0.006 1.474 2.902 1.00 44.24 C ATOM 1020 CG1 ILE A 60 -1.205 0.863 2.109 1.00 75.51 C ATOM 1021 CG2 ILE A 60 1.297 0.664 2.680 1.00 41.32 C ATOM 1022 CD1 ILE A 60 -1.002 0.761 0.603 1.00 73.54 C ATOM 0 H ILE A 60 -1.541 3.266 3.981 1.00 23.05 H new ATOM 0 HA ILE A 60 -0.579 0.610 4.819 1.00 3.32 H new ATOM 0 HB ILE A 60 0.177 2.477 2.515 1.00 44.24 H new ATOM 0 HG12 ILE A 60 -1.408 -0.134 2.500 1.00 75.51 H new ATOM 0 HG13 ILE A 60 -2.092 1.467 2.300 1.00 75.51 H new ATOM 0 HG21 ILE A 60 1.505 0.595 1.612 1.00 41.32 H new ATOM 0 HG22 ILE A 60 2.126 1.164 3.180 1.00 41.32 H new ATOM 0 HG23 ILE A 60 1.177 -0.338 3.091 1.00 41.32 H new ATOM 0 HD11 ILE A 60 -1.890 0.325 0.145 1.00 73.54 H new ATOM 0 HD12 ILE A 60 -0.832 1.756 0.191 1.00 73.54 H new ATOM 0 HD13 ILE A 60 -0.138 0.130 0.394 1.00 73.54 H new ATOM 1034 N ARG A 61 1.236 1.562 6.303 1.00 22.11 N ATOM 1035 CA ARG A 61 2.465 1.941 7.005 1.00 30.15 C ATOM 1036 C ARG A 61 3.610 1.102 6.437 1.00 3.32 C ATOM 1037 O ARG A 61 3.463 -0.112 6.243 1.00 33.32 O ATOM 1038 CB ARG A 61 2.350 1.736 8.548 1.00 62.24 C ATOM 1039 CG ARG A 61 3.564 2.310 9.321 1.00 62.10 C ATOM 1040 CD ARG A 61 3.527 2.093 10.843 1.00 40.13 C ATOM 1041 NE ARG A 61 4.649 2.808 11.485 1.00 73.14 N ATOM 1042 CZ ARG A 61 5.168 2.564 12.698 1.00 73.15 C ATOM 1043 NH1 ARG A 61 4.684 1.593 13.472 1.00 55.15 N ATOM 1044 NH2 ARG A 61 6.176 3.315 13.133 1.00 52.34 N ATOM 0 H ARG A 61 0.738 0.777 6.721 1.00 22.11 H new ATOM 0 HA ARG A 61 2.650 3.004 6.849 1.00 30.15 H new ATOM 0 HB2 ARG A 61 1.438 2.213 8.907 1.00 62.24 H new ATOM 0 HB3 ARG A 61 2.258 0.671 8.763 1.00 62.24 H new ATOM 0 HG2 ARG A 61 4.474 1.857 8.927 1.00 62.10 H new ATOM 0 HG3 ARG A 61 3.629 3.380 9.123 1.00 62.10 H new ATOM 0 HD2 ARG A 61 2.579 2.450 11.246 1.00 40.13 H new ATOM 0 HD3 ARG A 61 3.588 1.028 11.068 1.00 40.13 H new ATOM 0 HE ARG A 61 5.073 3.566 10.951 1.00 73.14 H new ATOM 0 HH11 ARG A 61 3.906 1.020 13.145 1.00 55.15 H new ATOM 0 HH12 ARG A 61 5.092 1.423 14.391 1.00 55.15 H new ATOM 0 HH21 ARG A 61 6.544 4.064 12.547 1.00 52.34 H new ATOM 0 HH22 ARG A 61 6.581 3.142 14.053 1.00 52.34 H new ATOM 1058 N VAL A 62 4.735 1.763 6.161 1.00 33.24 N ATOM 1059 CA VAL A 62 5.961 1.101 5.717 1.00 30.30 C ATOM 1060 C VAL A 62 6.814 0.845 6.981 1.00 21.52 C ATOM 1061 O VAL A 62 6.740 1.625 7.945 1.00 23.41 O ATOM 1062 CB VAL A 62 6.729 2.004 4.654 1.00 55.54 C ATOM 1063 CG1 VAL A 62 7.413 3.228 5.291 1.00 42.33 C ATOM 1064 CG2 VAL A 62 7.742 1.196 3.832 1.00 41.42 C ATOM 0 H VAL A 62 4.821 2.776 6.240 1.00 33.24 H new ATOM 0 HA VAL A 62 5.745 0.157 5.216 1.00 30.30 H new ATOM 0 HB VAL A 62 5.958 2.374 3.978 1.00 55.54 H new ATOM 0 HG11 VAL A 62 7.920 3.805 4.518 1.00 42.33 H new ATOM 0 HG12 VAL A 62 6.663 3.852 5.777 1.00 42.33 H new ATOM 0 HG13 VAL A 62 8.141 2.894 6.030 1.00 42.33 H new ATOM 0 HG21 VAL A 62 8.241 1.854 3.121 1.00 41.42 H new ATOM 0 HG22 VAL A 62 8.482 0.755 4.499 1.00 41.42 H new ATOM 0 HG23 VAL A 62 7.223 0.404 3.292 1.00 41.42 H new ATOM 1074 N LYS A 63 7.580 -0.255 7.006 1.00 53.05 N ATOM 1075 CA LYS A 63 8.429 -0.587 8.165 1.00 45.42 C ATOM 1076 C LYS A 63 9.709 0.249 8.067 1.00 3.44 C ATOM 1077 O LYS A 63 10.418 0.219 7.050 1.00 3.51 O ATOM 1078 CB LYS A 63 8.741 -2.116 8.209 1.00 0.41 C ATOM 1079 CG LYS A 63 9.159 -2.699 9.593 1.00 63.04 C ATOM 1080 CD LYS A 63 10.594 -2.326 10.044 1.00 63.51 C ATOM 1081 CE LYS A 63 10.915 -2.801 11.471 1.00 52.51 C ATOM 1082 NZ LYS A 63 10.014 -2.180 12.478 1.00 63.44 N ATOM 0 H LYS A 63 7.631 -0.929 6.242 1.00 53.05 H new ATOM 0 HA LYS A 63 7.910 -0.351 9.094 1.00 45.42 H new ATOM 0 HB2 LYS A 63 7.859 -2.655 7.864 1.00 0.41 H new ATOM 0 HB3 LYS A 63 9.539 -2.322 7.496 1.00 0.41 H new ATOM 0 HG2 LYS A 63 8.453 -2.351 10.347 1.00 63.04 H new ATOM 0 HG3 LYS A 63 9.075 -3.785 9.555 1.00 63.04 H new ATOM 0 HD2 LYS A 63 11.313 -2.763 9.351 1.00 63.51 H new ATOM 0 HD3 LYS A 63 10.717 -1.244 9.990 1.00 63.51 H new ATOM 0 HE2 LYS A 63 10.823 -3.886 11.522 1.00 52.51 H new ATOM 0 HE3 LYS A 63 11.950 -2.557 11.711 1.00 52.51 H new ATOM 0 HZ1 LYS A 63 10.402 -2.331 13.431 1.00 63.44 H new ATOM 0 HZ2 LYS A 63 9.938 -1.159 12.293 1.00 63.44 H new ATOM 0 HZ3 LYS A 63 9.071 -2.614 12.415 1.00 63.44 H new ATOM 1096 N HIS A 64 9.982 0.988 9.147 1.00 34.51 N ATOM 1097 CA HIS A 64 11.137 1.876 9.266 1.00 14.11 C ATOM 1098 C HIS A 64 12.287 1.088 9.908 1.00 54.21 C ATOM 1099 O HIS A 64 12.242 0.770 11.103 1.00 20.40 O ATOM 1100 CB HIS A 64 10.759 3.132 10.109 1.00 33.12 C ATOM 1101 CG HIS A 64 9.805 4.092 9.433 1.00 31.23 C ATOM 1102 ND1 HIS A 64 9.805 5.446 9.682 1.00 53.21 N ATOM 1103 CD2 HIS A 64 8.863 3.899 8.476 1.00 1.22 C ATOM 1104 CE1 HIS A 64 8.910 6.036 8.919 1.00 11.12 C ATOM 1105 NE2 HIS A 64 8.321 5.118 8.174 1.00 30.20 N ATOM 0 H HIS A 64 9.392 0.984 9.979 1.00 34.51 H new ATOM 0 HA HIS A 64 11.454 2.229 8.285 1.00 14.11 H new ATOM 0 HB2 HIS A 64 10.313 2.801 11.047 1.00 33.12 H new ATOM 0 HB3 HIS A 64 11.673 3.669 10.362 1.00 33.12 H new ATOM 0 HD1 HIS A 64 10.407 5.920 10.355 1.00 53.21 H new ATOM 0 HD2 HIS A 64 8.590 2.953 8.032 1.00 1.22 H new ATOM 0 HE1 HIS A 64 8.693 7.094 8.904 1.00 11.12 H new ATOM 1114 N SER A 65 13.278 0.732 9.082 1.00 72.24 N ATOM 1115 CA SER A 65 14.454 -0.053 9.494 1.00 73.52 C ATOM 1116 C SER A 65 15.307 0.713 10.527 1.00 73.53 C ATOM 1117 O SER A 65 15.734 0.153 11.547 1.00 1.52 O ATOM 1118 CB SER A 65 15.272 -0.388 8.235 1.00 33.11 C ATOM 1119 OG SER A 65 15.465 0.780 7.449 1.00 11.10 O ATOM 0 H SER A 65 13.288 0.984 8.094 1.00 72.24 H new ATOM 0 HA SER A 65 14.130 -0.973 9.980 1.00 73.52 H new ATOM 0 HB2 SER A 65 16.237 -0.806 8.520 1.00 33.11 H new ATOM 0 HB3 SER A 65 14.756 -1.148 7.649 1.00 33.11 H new ATOM 0 HG SER A 65 15.988 0.555 6.652 1.00 11.10 H new ATOM 1125 N ASP A 66 15.504 2.006 10.252 1.00 11.23 N ATOM 1126 CA ASP A 66 16.294 2.930 11.091 1.00 32.41 C ATOM 1127 C ASP A 66 15.960 4.375 10.685 1.00 15.13 C ATOM 1128 O ASP A 66 15.510 4.597 9.564 1.00 74.20 O ATOM 1129 CB ASP A 66 17.811 2.627 10.938 1.00 33.23 C ATOM 1130 CG ASP A 66 18.722 3.631 11.659 1.00 22.54 C ATOM 1131 OD1 ASP A 66 18.853 3.550 12.901 1.00 4.35 O ATOM 1132 OD2 ASP A 66 19.296 4.520 10.993 1.00 24.43 O ATOM 0 H ASP A 66 15.113 2.455 9.424 1.00 11.23 H new ATOM 0 HA ASP A 66 16.041 2.795 12.143 1.00 32.41 H new ATOM 0 HB2 ASP A 66 18.012 1.627 11.323 1.00 33.23 H new ATOM 0 HB3 ASP A 66 18.064 2.618 9.878 1.00 33.23 H new ATOM 1137 N ALA A 67 16.188 5.351 11.595 1.00 62.11 N ATOM 1138 CA ALA A 67 15.810 6.771 11.387 1.00 74.24 C ATOM 1139 C ALA A 67 16.523 7.411 10.170 1.00 43.02 C ATOM 1140 O ALA A 67 15.997 8.345 9.562 1.00 62.45 O ATOM 1141 CB ALA A 67 16.056 7.586 12.671 1.00 34.11 C ATOM 0 H ALA A 67 16.639 5.178 12.493 1.00 62.11 H new ATOM 0 HA ALA A 67 14.744 6.789 11.158 1.00 74.24 H new ATOM 0 HB1 ALA A 67 15.774 8.625 12.502 1.00 34.11 H new ATOM 0 HB2 ALA A 67 15.457 7.175 13.483 1.00 34.11 H new ATOM 0 HB3 ALA A 67 17.112 7.535 12.937 1.00 34.11 H new ATOM 1147 N ALA A 68 17.712 6.897 9.816 1.00 20.14 N ATOM 1148 CA ALA A 68 18.477 7.351 8.630 1.00 64.34 C ATOM 1149 C ALA A 68 18.021 6.588 7.371 1.00 42.41 C ATOM 1150 O ALA A 68 17.771 7.189 6.317 1.00 45.44 O ATOM 1151 CB ALA A 68 19.988 7.159 8.864 1.00 4.34 C ATOM 0 H ALA A 68 18.175 6.155 10.340 1.00 20.14 H new ATOM 0 HA ALA A 68 18.284 8.413 8.475 1.00 64.34 H new ATOM 0 HB1 ALA A 68 20.538 7.496 7.985 1.00 4.34 H new ATOM 0 HB2 ALA A 68 20.299 7.741 9.732 1.00 4.34 H new ATOM 0 HB3 ALA A 68 20.198 6.104 9.040 1.00 4.34 H new ATOM 1157 N GLU A 69 17.892 5.254 7.520 1.00 22.21 N ATOM 1158 CA GLU A 69 17.596 4.324 6.405 1.00 23.45 C ATOM 1159 C GLU A 69 16.160 4.512 5.855 1.00 45.13 C ATOM 1160 O GLU A 69 15.909 4.291 4.664 1.00 14.01 O ATOM 1161 CB GLU A 69 17.800 2.859 6.872 1.00 52.42 C ATOM 1162 CG GLU A 69 19.179 2.547 7.491 1.00 14.23 C ATOM 1163 CD GLU A 69 20.356 2.761 6.529 1.00 33.12 C ATOM 1164 OE1 GLU A 69 20.562 1.913 5.630 1.00 22.11 O ATOM 1165 OE2 GLU A 69 21.090 3.764 6.667 1.00 74.24 O ATOM 0 H GLU A 69 17.990 4.787 8.421 1.00 22.21 H new ATOM 0 HA GLU A 69 18.288 4.551 5.594 1.00 23.45 H new ATOM 0 HB2 GLU A 69 17.029 2.618 7.604 1.00 52.42 H new ATOM 0 HB3 GLU A 69 17.646 2.199 6.018 1.00 52.42 H new ATOM 0 HG2 GLU A 69 19.322 3.175 8.370 1.00 14.23 H new ATOM 0 HG3 GLU A 69 19.187 1.512 7.834 1.00 14.23 H new ATOM 1172 N GLU A 70 15.239 4.950 6.740 1.00 35.20 N ATOM 1173 CA GLU A 70 13.810 5.130 6.406 1.00 25.42 C ATOM 1174 C GLU A 70 13.619 6.268 5.397 1.00 73.43 C ATOM 1175 O GLU A 70 12.650 6.265 4.651 1.00 50.24 O ATOM 1176 CB GLU A 70 12.971 5.443 7.675 1.00 22.22 C ATOM 1177 CG GLU A 70 13.361 6.767 8.371 1.00 23.30 C ATOM 1178 CD GLU A 70 12.377 7.216 9.456 1.00 74.41 C ATOM 1179 OE1 GLU A 70 12.418 6.666 10.576 1.00 43.42 O ATOM 1180 OE2 GLU A 70 11.550 8.120 9.195 1.00 64.41 O ATOM 0 H GLU A 70 15.465 5.189 7.706 1.00 35.20 H new ATOM 0 HA GLU A 70 13.466 4.193 5.968 1.00 25.42 H new ATOM 0 HB2 GLU A 70 11.917 5.484 7.401 1.00 22.22 H new ATOM 0 HB3 GLU A 70 13.084 4.624 8.385 1.00 22.22 H new ATOM 0 HG2 GLU A 70 14.349 6.654 8.816 1.00 23.30 H new ATOM 0 HG3 GLU A 70 13.438 7.552 7.618 1.00 23.30 H new ATOM 1187 N LYS A 71 14.546 7.249 5.395 1.00 42.31 N ATOM 1188 CA LYS A 71 14.454 8.437 4.519 1.00 42.14 C ATOM 1189 C LYS A 71 14.632 8.020 3.052 1.00 41.44 C ATOM 1190 O LYS A 71 14.018 8.601 2.152 1.00 41.10 O ATOM 1191 CB LYS A 71 15.494 9.516 4.927 1.00 72.53 C ATOM 1192 CG LYS A 71 15.455 9.907 6.425 1.00 73.41 C ATOM 1193 CD LYS A 71 14.046 10.332 6.916 1.00 61.33 C ATOM 1194 CE LYS A 71 14.021 10.698 8.412 1.00 71.15 C ATOM 1195 NZ LYS A 71 12.635 10.904 8.913 1.00 52.41 N ATOM 0 H LYS A 71 15.372 7.241 5.994 1.00 42.31 H new ATOM 0 HA LYS A 71 13.465 8.880 4.636 1.00 42.14 H new ATOM 0 HB2 LYS A 71 16.492 9.151 4.685 1.00 72.53 H new ATOM 0 HB3 LYS A 71 15.327 10.410 4.326 1.00 72.53 H new ATOM 0 HG2 LYS A 71 15.800 9.063 7.022 1.00 73.41 H new ATOM 0 HG3 LYS A 71 16.154 10.726 6.597 1.00 73.41 H new ATOM 0 HD2 LYS A 71 13.705 11.187 6.332 1.00 61.33 H new ATOM 0 HD3 LYS A 71 13.342 9.520 6.733 1.00 61.33 H new ATOM 0 HE2 LYS A 71 14.500 9.906 8.987 1.00 71.15 H new ATOM 0 HE3 LYS A 71 14.603 11.605 8.573 1.00 71.15 H new ATOM 0 HZ1 LYS A 71 12.666 11.403 9.825 1.00 52.41 H new ATOM 0 HZ2 LYS A 71 12.098 11.471 8.226 1.00 52.41 H new ATOM 0 HZ3 LYS A 71 12.171 9.982 9.039 1.00 52.41 H new ATOM 1209 N LYS A 72 15.464 6.983 2.837 1.00 52.02 N ATOM 1210 CA LYS A 72 15.630 6.352 1.525 1.00 51.20 C ATOM 1211 C LYS A 72 14.399 5.494 1.203 1.00 52.44 C ATOM 1212 O LYS A 72 13.702 5.759 0.235 1.00 54.34 O ATOM 1213 CB LYS A 72 16.927 5.487 1.479 1.00 51.40 C ATOM 1214 CG LYS A 72 17.247 4.850 0.099 1.00 22.01 C ATOM 1215 CD LYS A 72 17.325 5.872 -1.079 1.00 52.52 C ATOM 1216 CE LYS A 72 18.520 6.868 -1.004 1.00 23.11 C ATOM 1217 NZ LYS A 72 18.384 7.886 0.081 1.00 45.11 N ATOM 0 H LYS A 72 16.036 6.564 3.570 1.00 52.02 H new ATOM 0 HA LYS A 72 15.726 7.135 0.773 1.00 51.20 H new ATOM 0 HB2 LYS A 72 17.770 6.109 1.779 1.00 51.40 H new ATOM 0 HB3 LYS A 72 16.840 4.690 2.218 1.00 51.40 H new ATOM 0 HG2 LYS A 72 18.197 4.320 0.168 1.00 22.01 H new ATOM 0 HG3 LYS A 72 16.484 4.107 -0.131 1.00 22.01 H new ATOM 0 HD2 LYS A 72 17.389 5.320 -2.016 1.00 52.52 H new ATOM 0 HD3 LYS A 72 16.397 6.442 -1.108 1.00 52.52 H new ATOM 0 HE2 LYS A 72 19.441 6.306 -0.850 1.00 23.11 H new ATOM 0 HE3 LYS A 72 18.616 7.380 -1.961 1.00 23.11 H new ATOM 0 HZ1 LYS A 72 18.866 8.763 -0.203 1.00 45.11 H new ATOM 0 HZ2 LYS A 72 17.377 8.083 0.248 1.00 45.11 H new ATOM 0 HZ3 LYS A 72 18.814 7.522 0.955 1.00 45.11 H new ATOM 1231 N GLU A 73 14.119 4.520 2.092 1.00 10.12 N ATOM 1232 CA GLU A 73 13.150 3.436 1.841 1.00 62.10 C ATOM 1233 C GLU A 73 11.690 3.920 1.740 1.00 24.22 C ATOM 1234 O GLU A 73 10.916 3.328 1.000 1.00 54.20 O ATOM 1235 CB GLU A 73 13.292 2.322 2.920 1.00 52.11 C ATOM 1236 CG GLU A 73 14.632 1.559 2.864 1.00 2.34 C ATOM 1237 CD GLU A 73 14.897 0.917 1.486 1.00 22.21 C ATOM 1238 OE1 GLU A 73 14.210 -0.069 1.132 1.00 63.22 O ATOM 1239 OE2 GLU A 73 15.783 1.404 0.738 1.00 52.23 O ATOM 0 H GLU A 73 14.562 4.464 3.009 1.00 10.12 H new ATOM 0 HA GLU A 73 13.395 3.026 0.861 1.00 62.10 H new ATOM 0 HB2 GLU A 73 13.183 2.771 3.907 1.00 52.11 H new ATOM 0 HB3 GLU A 73 12.475 1.610 2.802 1.00 52.11 H new ATOM 0 HG2 GLU A 73 15.445 2.244 3.103 1.00 2.34 H new ATOM 0 HG3 GLU A 73 14.635 0.782 3.628 1.00 2.34 H new ATOM 1246 N ALA A 74 11.327 4.990 2.466 1.00 4.05 N ATOM 1247 CA ALA A 74 9.940 5.515 2.480 1.00 13.21 C ATOM 1248 C ALA A 74 9.656 6.352 1.221 1.00 33.13 C ATOM 1249 O ALA A 74 8.580 6.246 0.642 1.00 1.24 O ATOM 1250 CB ALA A 74 9.669 6.342 3.748 1.00 2.40 C ATOM 0 H ALA A 74 11.974 5.514 3.055 1.00 4.05 H new ATOM 0 HA ALA A 74 9.265 4.659 2.484 1.00 13.21 H new ATOM 0 HB1 ALA A 74 8.644 6.713 3.728 1.00 2.40 H new ATOM 0 HB2 ALA A 74 9.811 5.715 4.628 1.00 2.40 H new ATOM 0 HB3 ALA A 74 10.359 7.185 3.787 1.00 2.40 H new ATOM 1256 N LYS A 75 10.634 7.198 0.829 1.00 61.00 N ATOM 1257 CA LYS A 75 10.554 8.038 -0.396 1.00 63.31 C ATOM 1258 C LYS A 75 10.619 7.164 -1.680 1.00 11.44 C ATOM 1259 O LYS A 75 9.922 7.420 -2.674 1.00 74.52 O ATOM 1260 CB LYS A 75 11.698 9.094 -0.386 1.00 40.45 C ATOM 1261 CG LYS A 75 11.612 10.159 -1.506 1.00 43.11 C ATOM 1262 CD LYS A 75 10.317 10.999 -1.428 1.00 70.41 C ATOM 1263 CE LYS A 75 10.213 12.051 -2.541 1.00 34.33 C ATOM 1264 NZ LYS A 75 8.938 12.814 -2.440 1.00 24.12 N ATOM 0 H LYS A 75 11.502 7.321 1.350 1.00 61.00 H new ATOM 0 HA LYS A 75 9.595 8.556 -0.401 1.00 63.31 H new ATOM 0 HB2 LYS A 75 11.696 9.601 0.579 1.00 40.45 H new ATOM 0 HB3 LYS A 75 12.653 8.575 -0.471 1.00 40.45 H new ATOM 0 HG2 LYS A 75 12.475 10.821 -1.440 1.00 43.11 H new ATOM 0 HG3 LYS A 75 11.663 9.665 -2.477 1.00 43.11 H new ATOM 0 HD2 LYS A 75 9.456 10.333 -1.484 1.00 70.41 H new ATOM 0 HD3 LYS A 75 10.272 11.498 -0.460 1.00 70.41 H new ATOM 0 HE2 LYS A 75 11.057 12.737 -2.477 1.00 34.33 H new ATOM 0 HE3 LYS A 75 10.272 11.563 -3.514 1.00 34.33 H new ATOM 0 HZ1 LYS A 75 8.893 13.518 -3.204 1.00 24.12 H new ATOM 0 HZ2 LYS A 75 8.134 12.160 -2.525 1.00 24.12 H new ATOM 0 HZ3 LYS A 75 8.895 13.298 -1.520 1.00 24.12 H new ATOM 1278 N LYS A 76 11.470 6.132 -1.610 1.00 22.52 N ATOM 1279 CA LYS A 76 11.608 5.061 -2.624 1.00 20.12 C ATOM 1280 C LYS A 76 10.273 4.324 -2.809 1.00 34.40 C ATOM 1281 O LYS A 76 9.767 4.192 -3.931 1.00 44.50 O ATOM 1282 CB LYS A 76 12.720 4.091 -2.130 1.00 51.41 C ATOM 1283 CG LYS A 76 12.839 2.713 -2.814 1.00 31.31 C ATOM 1284 CD LYS A 76 13.898 1.844 -2.090 1.00 51.43 C ATOM 1285 CE LYS A 76 13.976 0.403 -2.590 1.00 34.52 C ATOM 1286 NZ LYS A 76 14.980 -0.369 -1.815 1.00 55.13 N ATOM 0 H LYS A 76 12.106 6.009 -0.822 1.00 22.52 H new ATOM 0 HA LYS A 76 11.880 5.479 -3.593 1.00 20.12 H new ATOM 0 HB2 LYS A 76 13.678 4.600 -2.237 1.00 51.41 H new ATOM 0 HB3 LYS A 76 12.566 3.922 -1.064 1.00 51.41 H new ATOM 0 HG2 LYS A 76 11.873 2.208 -2.801 1.00 31.31 H new ATOM 0 HG3 LYS A 76 13.117 2.841 -3.860 1.00 31.31 H new ATOM 0 HD2 LYS A 76 14.876 2.311 -2.208 1.00 51.43 H new ATOM 0 HD3 LYS A 76 13.676 1.835 -1.023 1.00 51.43 H new ATOM 0 HE2 LYS A 76 12.998 -0.071 -2.502 1.00 34.52 H new ATOM 0 HE3 LYS A 76 14.240 0.394 -3.647 1.00 34.52 H new ATOM 0 HZ1 LYS A 76 15.735 -0.694 -2.452 1.00 55.13 H new ATOM 0 HZ2 LYS A 76 15.388 0.237 -1.075 1.00 55.13 H new ATOM 0 HZ3 LYS A 76 14.521 -1.192 -1.375 1.00 55.13 H new ATOM 1300 N PHE A 77 9.690 3.912 -1.669 1.00 74.03 N ATOM 1301 CA PHE A 77 8.431 3.149 -1.613 1.00 14.14 C ATOM 1302 C PHE A 77 7.246 4.037 -2.020 1.00 61.34 C ATOM 1303 O PHE A 77 6.272 3.545 -2.569 1.00 55.31 O ATOM 1304 CB PHE A 77 8.235 2.588 -0.180 1.00 1.30 C ATOM 1305 CG PHE A 77 7.108 1.579 -0.012 1.00 31.34 C ATOM 1306 CD1 PHE A 77 7.179 0.330 -0.628 1.00 45.24 C ATOM 1307 CD2 PHE A 77 5.994 1.854 0.790 1.00 60.51 C ATOM 1308 CE1 PHE A 77 6.174 -0.595 -0.463 1.00 44.54 C ATOM 1309 CE2 PHE A 77 4.988 0.921 0.949 1.00 41.03 C ATOM 1310 CZ PHE A 77 5.081 -0.302 0.330 1.00 61.24 C ATOM 0 H PHE A 77 10.086 4.102 -0.748 1.00 74.03 H new ATOM 0 HA PHE A 77 8.480 2.317 -2.316 1.00 14.14 H new ATOM 0 HB2 PHE A 77 9.167 2.120 0.137 1.00 1.30 H new ATOM 0 HB3 PHE A 77 8.053 3.424 0.495 1.00 1.30 H new ATOM 0 HD1 PHE A 77 8.033 0.086 -1.242 1.00 45.24 H new ATOM 0 HD2 PHE A 77 5.920 2.808 1.291 1.00 60.51 H new ATOM 0 HE1 PHE A 77 6.240 -1.554 -0.955 1.00 44.54 H new ATOM 0 HE2 PHE A 77 4.128 1.153 1.560 1.00 41.03 H new ATOM 0 HZ PHE A 77 4.299 -1.035 0.463 1.00 61.24 H new ATOM 1320 N ALA A 78 7.375 5.354 -1.764 1.00 33.10 N ATOM 1321 CA ALA A 78 6.360 6.363 -2.114 1.00 21.22 C ATOM 1322 C ALA A 78 6.222 6.481 -3.637 1.00 13.41 C ATOM 1323 O ALA A 78 5.109 6.525 -4.161 1.00 12.53 O ATOM 1324 CB ALA A 78 6.725 7.722 -1.501 1.00 41.14 C ATOM 0 H ALA A 78 8.195 5.749 -1.304 1.00 33.10 H new ATOM 0 HA ALA A 78 5.401 6.045 -1.706 1.00 21.22 H new ATOM 0 HB1 ALA A 78 5.966 8.457 -1.768 1.00 41.14 H new ATOM 0 HB2 ALA A 78 6.775 7.630 -0.416 1.00 41.14 H new ATOM 0 HB3 ALA A 78 7.693 8.045 -1.883 1.00 41.14 H new ATOM 1330 N ALA A 79 7.386 6.503 -4.329 1.00 24.30 N ATOM 1331 CA ALA A 79 7.462 6.535 -5.800 1.00 31.43 C ATOM 1332 C ALA A 79 6.841 5.262 -6.411 1.00 23.13 C ATOM 1333 O ALA A 79 6.102 5.335 -7.400 1.00 15.33 O ATOM 1334 CB ALA A 79 8.924 6.701 -6.248 1.00 21.42 C ATOM 0 H ALA A 79 8.300 6.499 -3.876 1.00 24.30 H new ATOM 0 HA ALA A 79 6.888 7.389 -6.160 1.00 31.43 H new ATOM 0 HB1 ALA A 79 8.971 6.724 -7.337 1.00 21.42 H new ATOM 0 HB2 ALA A 79 9.323 7.633 -5.848 1.00 21.42 H new ATOM 0 HB3 ALA A 79 9.516 5.864 -5.877 1.00 21.42 H new ATOM 1340 N ILE A 80 7.142 4.100 -5.781 1.00 22.52 N ATOM 1341 CA ILE A 80 6.572 2.786 -6.164 1.00 2.45 C ATOM 1342 C ILE A 80 5.039 2.775 -5.977 1.00 32.44 C ATOM 1343 O ILE A 80 4.307 2.305 -6.853 1.00 30.45 O ATOM 1344 CB ILE A 80 7.237 1.611 -5.335 1.00 15.43 C ATOM 1345 CG1 ILE A 80 8.779 1.588 -5.569 1.00 23.21 C ATOM 1346 CG2 ILE A 80 6.617 0.227 -5.662 1.00 45.13 C ATOM 1347 CD1 ILE A 80 9.201 1.392 -7.021 1.00 12.25 C ATOM 0 H ILE A 80 7.787 4.048 -4.993 1.00 22.52 H new ATOM 0 HA ILE A 80 6.792 2.625 -7.219 1.00 2.45 H new ATOM 0 HB ILE A 80 7.035 1.808 -4.282 1.00 15.43 H new ATOM 0 HG12 ILE A 80 9.202 2.525 -5.205 1.00 23.21 H new ATOM 0 HG13 ILE A 80 9.212 0.788 -4.968 1.00 23.21 H new ATOM 0 HG21 ILE A 80 7.109 -0.542 -5.067 1.00 45.13 H new ATOM 0 HG22 ILE A 80 5.552 0.241 -5.428 1.00 45.13 H new ATOM 0 HG23 ILE A 80 6.753 0.008 -6.721 1.00 45.13 H new ATOM 0 HD11 ILE A 80 10.289 1.389 -7.087 1.00 12.25 H new ATOM 0 HD12 ILE A 80 8.813 0.442 -7.387 1.00 12.25 H new ATOM 0 HD13 ILE A 80 8.803 2.205 -7.628 1.00 12.25 H new ATOM 1359 N LEU A 81 4.572 3.365 -4.851 1.00 75.14 N ATOM 1360 CA LEU A 81 3.137 3.452 -4.503 1.00 2.23 C ATOM 1361 C LEU A 81 2.375 4.324 -5.522 1.00 40.50 C ATOM 1362 O LEU A 81 1.252 3.996 -5.882 1.00 4.04 O ATOM 1363 CB LEU A 81 2.951 4.019 -3.062 1.00 52.31 C ATOM 1364 CG LEU A 81 3.238 3.042 -1.876 1.00 30.33 C ATOM 1365 CD1 LEU A 81 3.151 3.780 -0.523 1.00 21.34 C ATOM 1366 CD2 LEU A 81 2.291 1.819 -1.906 1.00 24.30 C ATOM 0 H LEU A 81 5.184 3.795 -4.157 1.00 75.14 H new ATOM 0 HA LEU A 81 2.724 2.444 -4.535 1.00 2.23 H new ATOM 0 HB2 LEU A 81 3.602 4.887 -2.952 1.00 52.31 H new ATOM 0 HB3 LEU A 81 1.925 4.376 -2.967 1.00 52.31 H new ATOM 0 HG LEU A 81 4.255 2.669 -1.993 1.00 30.33 H new ATOM 0 HD11 LEU A 81 3.354 3.080 0.287 1.00 21.34 H new ATOM 0 HD12 LEU A 81 3.885 4.585 -0.500 1.00 21.34 H new ATOM 0 HD13 LEU A 81 2.152 4.197 -0.400 1.00 21.34 H new ATOM 0 HD21 LEU A 81 2.519 1.161 -1.067 1.00 24.30 H new ATOM 0 HD22 LEU A 81 1.257 2.157 -1.831 1.00 24.30 H new ATOM 0 HD23 LEU A 81 2.428 1.275 -2.841 1.00 24.30 H new ATOM 1378 N ASN A 82 3.025 5.416 -5.990 1.00 23.41 N ATOM 1379 CA ASN A 82 2.458 6.344 -7.005 1.00 72.31 C ATOM 1380 C ASN A 82 2.094 5.584 -8.281 1.00 13.35 C ATOM 1381 O ASN A 82 1.006 5.756 -8.830 1.00 23.00 O ATOM 1382 CB ASN A 82 3.472 7.474 -7.353 1.00 20.43 C ATOM 1383 CG ASN A 82 3.723 8.430 -6.203 1.00 35.23 C ATOM 1384 OD1 ASN A 82 2.821 8.742 -5.438 1.00 63.12 O ATOM 1385 ND2 ASN A 82 4.944 8.905 -6.067 1.00 5.04 N ATOM 0 H ASN A 82 3.959 5.681 -5.676 1.00 23.41 H new ATOM 0 HA ASN A 82 1.559 6.791 -6.580 1.00 72.31 H new ATOM 0 HB2 ASN A 82 4.418 7.024 -7.655 1.00 20.43 H new ATOM 0 HB3 ASN A 82 3.099 8.036 -8.209 1.00 20.43 H new ATOM 0 HD21 ASN A 82 5.158 9.552 -5.308 1.00 5.04 H new ATOM 0 HD22 ASN A 82 5.675 8.626 -6.721 1.00 5.04 H new ATOM 1392 N LYS A 83 3.029 4.711 -8.708 1.00 14.44 N ATOM 1393 CA LYS A 83 2.885 3.912 -9.935 1.00 4.42 C ATOM 1394 C LYS A 83 1.743 2.887 -9.781 1.00 62.13 C ATOM 1395 O LYS A 83 0.921 2.726 -10.680 1.00 55.42 O ATOM 1396 CB LYS A 83 4.225 3.197 -10.280 1.00 2.23 C ATOM 1397 CG LYS A 83 5.503 4.081 -10.347 1.00 64.15 C ATOM 1398 CD LYS A 83 5.419 5.309 -11.315 1.00 54.23 C ATOM 1399 CE LYS A 83 4.971 6.607 -10.617 1.00 22.12 C ATOM 1400 NZ LYS A 83 4.790 7.736 -11.562 1.00 64.44 N ATOM 0 H LYS A 83 3.903 4.543 -8.210 1.00 14.44 H new ATOM 0 HA LYS A 83 2.634 4.582 -10.757 1.00 4.42 H new ATOM 0 HB2 LYS A 83 4.392 2.416 -9.538 1.00 2.23 H new ATOM 0 HB3 LYS A 83 4.106 2.701 -11.243 1.00 2.23 H new ATOM 0 HG2 LYS A 83 5.726 4.445 -9.344 1.00 64.15 H new ATOM 0 HG3 LYS A 83 6.342 3.455 -10.653 1.00 64.15 H new ATOM 0 HD2 LYS A 83 6.395 5.469 -11.773 1.00 54.23 H new ATOM 0 HD3 LYS A 83 4.723 5.080 -12.122 1.00 54.23 H new ATOM 0 HE2 LYS A 83 4.034 6.426 -10.091 1.00 22.12 H new ATOM 0 HE3 LYS A 83 5.710 6.884 -9.865 1.00 22.12 H new ATOM 0 HZ1 LYS A 83 4.489 8.582 -11.038 1.00 64.44 H new ATOM 0 HZ2 LYS A 83 5.689 7.931 -12.047 1.00 64.44 H new ATOM 0 HZ3 LYS A 83 4.065 7.488 -12.265 1.00 64.44 H new ATOM 1414 N VAL A 84 1.674 2.265 -8.587 1.00 34.33 N ATOM 1415 CA VAL A 84 0.687 1.224 -8.255 1.00 4.03 C ATOM 1416 C VAL A 84 -0.742 1.814 -8.244 1.00 42.44 C ATOM 1417 O VAL A 84 -1.601 1.369 -9.006 1.00 63.21 O ATOM 1418 CB VAL A 84 1.044 0.559 -6.864 1.00 3.02 C ATOM 1419 CG1 VAL A 84 -0.088 -0.350 -6.331 1.00 55.30 C ATOM 1420 CG2 VAL A 84 2.383 -0.220 -6.971 1.00 54.42 C ATOM 0 H VAL A 84 2.311 2.476 -7.819 1.00 34.33 H new ATOM 0 HA VAL A 84 0.720 0.449 -9.021 1.00 4.03 H new ATOM 0 HB VAL A 84 1.159 1.364 -6.138 1.00 3.02 H new ATOM 0 HG11 VAL A 84 0.210 -0.780 -5.375 1.00 55.30 H new ATOM 0 HG12 VAL A 84 -0.995 0.239 -6.197 1.00 55.30 H new ATOM 0 HG13 VAL A 84 -0.278 -1.151 -7.045 1.00 55.30 H new ATOM 0 HG21 VAL A 84 2.618 -0.673 -6.008 1.00 54.42 H new ATOM 0 HG22 VAL A 84 2.291 -1.000 -7.726 1.00 54.42 H new ATOM 0 HG23 VAL A 84 3.181 0.466 -7.254 1.00 54.42 H new ATOM 1430 N PHE A 85 -0.947 2.859 -7.414 1.00 13.52 N ATOM 1431 CA PHE A 85 -2.260 3.523 -7.221 1.00 53.15 C ATOM 1432 C PHE A 85 -2.797 4.113 -8.542 1.00 0.54 C ATOM 1433 O PHE A 85 -4.004 4.051 -8.809 1.00 61.42 O ATOM 1434 CB PHE A 85 -2.173 4.644 -6.151 1.00 44.45 C ATOM 1435 CG PHE A 85 -1.751 4.184 -4.753 1.00 14.23 C ATOM 1436 CD1 PHE A 85 -2.158 2.945 -4.240 1.00 61.24 C ATOM 1437 CD2 PHE A 85 -0.951 4.995 -3.948 1.00 64.45 C ATOM 1438 CE1 PHE A 85 -1.778 2.544 -2.972 1.00 52.35 C ATOM 1439 CE2 PHE A 85 -0.574 4.587 -2.685 1.00 43.02 C ATOM 1440 CZ PHE A 85 -0.984 3.363 -2.200 1.00 4.41 C ATOM 0 H PHE A 85 -0.201 3.271 -6.853 1.00 13.52 H new ATOM 0 HA PHE A 85 -2.952 2.756 -6.875 1.00 53.15 H new ATOM 0 HB2 PHE A 85 -1.466 5.398 -6.496 1.00 44.45 H new ATOM 0 HB3 PHE A 85 -3.146 5.129 -6.077 1.00 44.45 H new ATOM 0 HD1 PHE A 85 -2.776 2.295 -4.842 1.00 61.24 H new ATOM 0 HD2 PHE A 85 -0.622 5.955 -4.318 1.00 64.45 H new ATOM 0 HE1 PHE A 85 -2.104 1.589 -2.587 1.00 52.35 H new ATOM 0 HE2 PHE A 85 0.044 5.228 -2.074 1.00 43.02 H new ATOM 0 HZ PHE A 85 -0.682 3.046 -1.213 1.00 4.41 H new ATOM 1450 N ALA A 86 -1.876 4.669 -9.355 1.00 42.30 N ATOM 1451 CA ALA A 86 -2.195 5.243 -10.682 1.00 31.12 C ATOM 1452 C ALA A 86 -2.719 4.172 -11.659 1.00 34.33 C ATOM 1453 O ALA A 86 -3.488 4.477 -12.567 1.00 71.14 O ATOM 1454 CB ALA A 86 -0.958 5.932 -11.281 1.00 54.22 C ATOM 0 H ALA A 86 -0.888 4.734 -9.111 1.00 42.30 H new ATOM 0 HA ALA A 86 -2.985 5.980 -10.534 1.00 31.12 H new ATOM 0 HB1 ALA A 86 -1.210 6.348 -12.256 1.00 54.22 H new ATOM 0 HB2 ALA A 86 -0.631 6.733 -10.618 1.00 54.22 H new ATOM 0 HB3 ALA A 86 -0.155 5.204 -11.394 1.00 54.22 H new ATOM 1460 N GLU A 87 -2.259 2.921 -11.480 1.00 31.12 N ATOM 1461 CA GLU A 87 -2.703 1.765 -12.288 1.00 52.22 C ATOM 1462 C GLU A 87 -3.963 1.098 -11.697 1.00 62.21 C ATOM 1463 O GLU A 87 -4.572 0.243 -12.345 1.00 34.04 O ATOM 1464 CB GLU A 87 -1.544 0.744 -12.425 1.00 43.44 C ATOM 1465 CG GLU A 87 -0.320 1.302 -13.178 1.00 40.20 C ATOM 1466 CD GLU A 87 0.780 0.255 -13.374 1.00 50.50 C ATOM 1467 OE1 GLU A 87 0.729 -0.488 -14.384 1.00 50.55 O ATOM 1468 OE2 GLU A 87 1.675 0.131 -12.505 1.00 61.53 O ATOM 0 H GLU A 87 -1.567 2.680 -10.770 1.00 31.12 H new ATOM 0 HA GLU A 87 -2.975 2.129 -13.279 1.00 52.22 H new ATOM 0 HB2 GLU A 87 -1.234 0.423 -11.431 1.00 43.44 H new ATOM 0 HB3 GLU A 87 -1.909 -0.141 -12.946 1.00 43.44 H new ATOM 0 HG2 GLU A 87 -0.637 1.677 -14.151 1.00 40.20 H new ATOM 0 HG3 GLU A 87 0.085 2.150 -12.626 1.00 40.20 H new ATOM 1475 N LEU A 88 -4.368 1.506 -10.478 1.00 54.45 N ATOM 1476 CA LEU A 88 -5.548 0.924 -9.787 1.00 34.34 C ATOM 1477 C LEU A 88 -6.744 1.902 -9.839 1.00 62.32 C ATOM 1478 O LEU A 88 -7.888 1.512 -9.565 1.00 30.13 O ATOM 1479 CB LEU A 88 -5.214 0.561 -8.310 1.00 55.44 C ATOM 1480 CG LEU A 88 -4.016 -0.420 -8.071 1.00 20.15 C ATOM 1481 CD1 LEU A 88 -3.876 -0.777 -6.577 1.00 33.24 C ATOM 1482 CD2 LEU A 88 -4.110 -1.685 -8.946 1.00 22.45 C ATOM 0 H LEU A 88 -3.897 2.238 -9.946 1.00 54.45 H new ATOM 0 HA LEU A 88 -5.820 0.007 -10.309 1.00 34.34 H new ATOM 0 HB2 LEU A 88 -5.006 1.486 -7.773 1.00 55.44 H new ATOM 0 HB3 LEU A 88 -6.105 0.124 -7.859 1.00 55.44 H new ATOM 0 HG LEU A 88 -3.111 0.105 -8.377 1.00 20.15 H new ATOM 0 HD11 LEU A 88 -3.036 -1.459 -6.443 1.00 33.24 H new ATOM 0 HD12 LEU A 88 -3.701 0.131 -6.001 1.00 33.24 H new ATOM 0 HD13 LEU A 88 -4.792 -1.256 -6.230 1.00 33.24 H new ATOM 0 HD21 LEU A 88 -3.257 -2.332 -8.743 1.00 22.45 H new ATOM 0 HD22 LEU A 88 -5.033 -2.218 -8.717 1.00 22.45 H new ATOM 0 HD23 LEU A 88 -4.107 -1.401 -9.998 1.00 22.45 H new ATOM 1494 N GLY A 89 -6.459 3.175 -10.178 1.00 14.33 N ATOM 1495 CA GLY A 89 -7.482 4.217 -10.303 1.00 42.44 C ATOM 1496 C GLY A 89 -7.655 5.054 -9.039 1.00 14.04 C ATOM 1497 O GLY A 89 -8.650 5.770 -8.904 1.00 54.11 O ATOM 0 H GLY A 89 -5.513 3.503 -10.371 1.00 14.33 H new ATOM 0 HA2 GLY A 89 -7.220 4.875 -11.132 1.00 42.44 H new ATOM 0 HA3 GLY A 89 -8.435 3.751 -10.554 1.00 42.44 H new ATOM 1501 N TYR A 90 -6.697 4.949 -8.098 1.00 42.21 N ATOM 1502 CA TYR A 90 -6.669 5.800 -6.892 1.00 30.34 C ATOM 1503 C TYR A 90 -5.909 7.088 -7.223 1.00 61.32 C ATOM 1504 O TYR A 90 -4.744 7.032 -7.652 1.00 3.44 O ATOM 1505 CB TYR A 90 -6.000 5.066 -5.696 1.00 34.10 C ATOM 1506 CG TYR A 90 -6.569 3.671 -5.398 1.00 12.11 C ATOM 1507 CD1 TYR A 90 -7.945 3.419 -5.427 1.00 22.00 C ATOM 1508 CD2 TYR A 90 -5.721 2.601 -5.096 1.00 51.22 C ATOM 1509 CE1 TYR A 90 -8.445 2.155 -5.174 1.00 15.43 C ATOM 1510 CE2 TYR A 90 -6.222 1.342 -4.848 1.00 30.34 C ATOM 1511 CZ TYR A 90 -7.576 1.126 -4.887 1.00 61.00 C ATOM 1512 OH TYR A 90 -8.066 -0.132 -4.656 1.00 3.11 O ATOM 0 H TYR A 90 -5.929 4.280 -8.150 1.00 42.21 H new ATOM 0 HA TYR A 90 -7.691 6.034 -6.595 1.00 30.34 H new ATOM 0 HB2 TYR A 90 -4.933 4.973 -5.896 1.00 34.10 H new ATOM 0 HB3 TYR A 90 -6.104 5.684 -4.804 1.00 34.10 H new ATOM 0 HD1 TYR A 90 -8.628 4.225 -5.651 1.00 22.00 H new ATOM 0 HD2 TYR A 90 -4.654 2.765 -5.056 1.00 51.22 H new ATOM 0 HE1 TYR A 90 -9.510 1.976 -5.201 1.00 15.43 H new ATOM 0 HE2 TYR A 90 -5.550 0.527 -4.623 1.00 30.34 H new ATOM 0 HH TYR A 90 -7.789 -0.432 -3.765 1.00 3.11 H new ATOM 1522 N ASN A 91 -6.563 8.234 -7.001 1.00 51.22 N ATOM 1523 CA ASN A 91 -6.069 9.554 -7.431 1.00 35.15 C ATOM 1524 C ASN A 91 -5.037 10.089 -6.414 1.00 14.15 C ATOM 1525 O ASN A 91 -5.157 9.822 -5.212 1.00 2.34 O ATOM 1526 CB ASN A 91 -7.276 10.529 -7.575 1.00 2.43 C ATOM 1527 CG ASN A 91 -6.992 11.826 -8.360 1.00 15.42 C ATOM 1528 OD1 ASN A 91 -5.881 12.357 -8.369 1.00 31.23 O ATOM 1529 ND2 ASN A 91 -8.014 12.352 -9.017 1.00 74.22 N ATOM 0 H ASN A 91 -7.458 8.275 -6.514 1.00 51.22 H new ATOM 0 HA ASN A 91 -5.572 9.468 -8.397 1.00 35.15 H new ATOM 0 HB2 ASN A 91 -8.092 9.999 -8.066 1.00 2.43 H new ATOM 0 HB3 ASN A 91 -7.625 10.797 -6.578 1.00 2.43 H new ATOM 0 HD21 ASN A 91 -7.890 13.216 -9.546 1.00 74.22 H new ATOM 0 HD22 ASN A 91 -8.925 11.894 -8.995 1.00 74.22 H new ATOM 1536 N ASP A 92 -4.039 10.841 -6.929 1.00 4.24 N ATOM 1537 CA ASP A 92 -3.019 11.574 -6.134 1.00 61.50 C ATOM 1538 C ASP A 92 -3.678 12.491 -5.078 1.00 45.30 C ATOM 1539 O ASP A 92 -3.183 12.624 -3.957 1.00 64.31 O ATOM 1540 CB ASP A 92 -2.134 12.409 -7.106 1.00 60.33 C ATOM 1541 CG ASP A 92 -1.201 13.413 -6.400 1.00 2.22 C ATOM 1542 OD1 ASP A 92 -0.170 12.995 -5.846 1.00 50.24 O ATOM 1543 OD2 ASP A 92 -1.502 14.629 -6.393 1.00 75.20 O ATOM 0 H ASP A 92 -3.914 10.960 -7.934 1.00 4.24 H new ATOM 0 HA ASP A 92 -2.403 10.854 -5.595 1.00 61.50 H new ATOM 0 HB2 ASP A 92 -1.530 11.728 -7.707 1.00 60.33 H new ATOM 0 HB3 ASP A 92 -2.781 12.953 -7.794 1.00 60.33 H new ATOM 1548 N SER A 93 -4.826 13.076 -5.464 1.00 21.05 N ATOM 1549 CA SER A 93 -5.647 13.969 -4.611 1.00 44.01 C ATOM 1550 C SER A 93 -6.098 13.307 -3.281 1.00 4.53 C ATOM 1551 O SER A 93 -6.447 14.003 -2.321 1.00 11.10 O ATOM 1552 CB SER A 93 -6.892 14.402 -5.411 1.00 75.43 C ATOM 1553 OG SER A 93 -6.517 14.945 -6.665 1.00 41.22 O ATOM 0 H SER A 93 -5.221 12.942 -6.395 1.00 21.05 H new ATOM 0 HA SER A 93 -5.026 14.823 -4.340 1.00 44.01 H new ATOM 0 HB2 SER A 93 -7.550 13.546 -5.562 1.00 75.43 H new ATOM 0 HB3 SER A 93 -7.457 15.141 -4.843 1.00 75.43 H new ATOM 0 HG SER A 93 -6.385 14.219 -7.310 1.00 41.22 H new ATOM 1559 N ASN A 94 -6.097 11.962 -3.252 1.00 70.54 N ATOM 1560 CA ASN A 94 -6.612 11.148 -2.126 1.00 65.24 C ATOM 1561 C ASN A 94 -5.470 10.518 -1.302 1.00 5.00 C ATOM 1562 O ASN A 94 -5.710 9.957 -0.225 1.00 23.01 O ATOM 1563 CB ASN A 94 -7.528 10.026 -2.685 1.00 54.20 C ATOM 1564 CG ASN A 94 -8.778 10.529 -3.429 1.00 23.33 C ATOM 1565 OD1 ASN A 94 -8.790 11.620 -4.003 1.00 61.23 O ATOM 1566 ND2 ASN A 94 -9.830 9.727 -3.449 1.00 41.15 N ATOM 0 H ASN A 94 -5.734 11.398 -4.020 1.00 70.54 H new ATOM 0 HA ASN A 94 -7.175 11.806 -1.464 1.00 65.24 H new ATOM 0 HB2 ASN A 94 -6.944 9.403 -3.363 1.00 54.20 H new ATOM 0 HB3 ASN A 94 -7.845 9.389 -1.859 1.00 54.20 H new ATOM 0 HD21 ASN A 94 -10.675 10.007 -3.947 1.00 41.15 H new ATOM 0 HD22 ASN A 94 -9.796 8.829 -2.966 1.00 41.15 H new ATOM 1573 N VAL A 95 -4.237 10.600 -1.820 1.00 11.24 N ATOM 1574 CA VAL A 95 -3.054 9.964 -1.215 1.00 20.45 C ATOM 1575 C VAL A 95 -2.425 10.918 -0.173 1.00 70.51 C ATOM 1576 O VAL A 95 -1.779 11.903 -0.535 1.00 74.50 O ATOM 1577 CB VAL A 95 -2.016 9.562 -2.333 1.00 21.22 C ATOM 1578 CG1 VAL A 95 -0.784 8.867 -1.726 1.00 42.44 C ATOM 1579 CG2 VAL A 95 -2.684 8.669 -3.406 1.00 22.33 C ATOM 0 H VAL A 95 -4.029 11.113 -2.677 1.00 11.24 H new ATOM 0 HA VAL A 95 -3.355 9.050 -0.702 1.00 20.45 H new ATOM 0 HB VAL A 95 -1.674 10.477 -2.817 1.00 21.22 H new ATOM 0 HG11 VAL A 95 -0.087 8.602 -2.521 1.00 42.44 H new ATOM 0 HG12 VAL A 95 -0.294 9.542 -1.024 1.00 42.44 H new ATOM 0 HG13 VAL A 95 -1.097 7.964 -1.202 1.00 42.44 H new ATOM 0 HG21 VAL A 95 -1.950 8.404 -4.167 1.00 22.33 H new ATOM 0 HG22 VAL A 95 -3.066 7.762 -2.938 1.00 22.33 H new ATOM 0 HG23 VAL A 95 -3.508 9.212 -3.870 1.00 22.33 H new ATOM 1589 N THR A 96 -2.662 10.630 1.120 1.00 51.13 N ATOM 1590 CA THR A 96 -2.277 11.505 2.245 1.00 64.14 C ATOM 1591 C THR A 96 -1.106 10.887 3.046 1.00 43.22 C ATOM 1592 O THR A 96 -1.268 9.832 3.639 1.00 13.41 O ATOM 1593 CB THR A 96 -3.512 11.719 3.192 1.00 4.53 C ATOM 1594 OG1 THR A 96 -4.634 12.178 2.416 1.00 44.34 O ATOM 1595 CG2 THR A 96 -3.220 12.725 4.321 1.00 15.21 C ATOM 0 H THR A 96 -3.131 9.774 1.417 1.00 51.13 H new ATOM 0 HA THR A 96 -1.952 12.465 1.843 1.00 64.14 H new ATOM 0 HB THR A 96 -3.737 10.761 3.661 1.00 4.53 H new ATOM 0 HG1 THR A 96 -5.406 12.311 3.004 1.00 44.34 H new ATOM 0 HG21 THR A 96 -4.105 12.837 4.947 1.00 15.21 H new ATOM 0 HG22 THR A 96 -2.391 12.361 4.927 1.00 15.21 H new ATOM 0 HG23 THR A 96 -2.957 13.690 3.889 1.00 15.21 H new ATOM 1603 N TRP A 97 0.065 11.543 3.054 1.00 23.33 N ATOM 1604 CA TRP A 97 1.243 11.082 3.825 1.00 63.21 C ATOM 1605 C TRP A 97 1.355 11.816 5.159 1.00 12.44 C ATOM 1606 O TRP A 97 1.065 13.018 5.252 1.00 53.54 O ATOM 1607 CB TRP A 97 2.546 11.289 3.013 1.00 42.13 C ATOM 1608 CG TRP A 97 2.774 10.213 1.985 1.00 0.13 C ATOM 1609 CD1 TRP A 97 2.271 10.156 0.713 1.00 61.34 C ATOM 1610 CD2 TRP A 97 3.545 9.011 2.165 1.00 65.24 C ATOM 1611 NE1 TRP A 97 2.679 8.994 0.108 1.00 24.44 N ATOM 1612 CE2 TRP A 97 3.469 8.287 0.967 1.00 73.32 C ATOM 1613 CE3 TRP A 97 4.303 8.484 3.225 1.00 2.45 C ATOM 1614 CZ2 TRP A 97 4.106 7.063 0.793 1.00 15.14 C ATOM 1615 CZ3 TRP A 97 4.942 7.266 3.049 1.00 51.21 C ATOM 1616 CH2 TRP A 97 4.841 6.571 1.837 1.00 53.12 C ATOM 0 H TRP A 97 0.227 12.404 2.531 1.00 23.33 H new ATOM 0 HA TRP A 97 1.106 10.019 4.021 1.00 63.21 H new ATOM 0 HB2 TRP A 97 2.507 12.258 2.515 1.00 42.13 H new ATOM 0 HB3 TRP A 97 3.394 11.316 3.697 1.00 42.13 H new ATOM 0 HD1 TRP A 97 1.648 10.910 0.256 1.00 61.34 H new ATOM 0 HE1 TRP A 97 2.430 8.704 -0.838 1.00 24.44 H new ATOM 0 HE3 TRP A 97 4.386 9.018 4.160 1.00 2.45 H new ATOM 0 HZ2 TRP A 97 4.023 6.519 -0.136 1.00 15.14 H new ATOM 0 HZ3 TRP A 97 5.525 6.848 3.856 1.00 51.21 H new ATOM 0 HH2 TRP A 97 5.354 5.627 1.724 1.00 53.12 H new ATOM 1627 N ASP A 98 1.811 11.071 6.184 1.00 12.11 N ATOM 1628 CA ASP A 98 2.195 11.617 7.494 1.00 34.11 C ATOM 1629 C ASP A 98 3.563 11.021 7.881 1.00 72.53 C ATOM 1630 O ASP A 98 3.659 10.222 8.819 1.00 20.42 O ATOM 1631 CB ASP A 98 1.107 11.291 8.568 1.00 41.35 C ATOM 1632 CG ASP A 98 -0.233 11.980 8.279 1.00 72.53 C ATOM 1633 OD1 ASP A 98 -0.433 13.129 8.735 1.00 73.32 O ATOM 1634 OD2 ASP A 98 -1.085 11.383 7.583 1.00 14.55 O ATOM 0 H ASP A 98 1.923 10.059 6.122 1.00 12.11 H new ATOM 0 HA ASP A 98 2.273 12.703 7.441 1.00 34.11 H new ATOM 0 HB2 ASP A 98 0.955 10.212 8.610 1.00 41.35 H new ATOM 0 HB3 ASP A 98 1.466 11.601 9.549 1.00 41.35 H new ATOM 1639 N GLY A 99 4.596 11.410 7.092 1.00 33.34 N ATOM 1640 CA GLY A 99 6.027 11.069 7.316 1.00 61.42 C ATOM 1641 C GLY A 99 6.369 9.631 7.750 1.00 52.31 C ATOM 1642 O GLY A 99 7.456 9.405 8.302 1.00 33.04 O ATOM 0 H GLY A 99 4.455 11.984 6.261 1.00 33.34 H new ATOM 0 HA2 GLY A 99 6.568 11.277 6.393 1.00 61.42 H new ATOM 0 HA3 GLY A 99 6.417 11.748 8.074 1.00 61.42 H new ATOM 1646 N ASP A 100 5.483 8.652 7.466 1.00 3.32 N ATOM 1647 CA ASP A 100 5.565 7.284 8.044 1.00 11.01 C ATOM 1648 C ASP A 100 4.488 6.372 7.432 1.00 64.35 C ATOM 1649 O ASP A 100 4.778 5.274 6.930 1.00 53.34 O ATOM 1650 CB ASP A 100 5.399 7.354 9.598 1.00 10.32 C ATOM 1651 CG ASP A 100 5.295 5.987 10.311 1.00 61.23 C ATOM 1652 OD1 ASP A 100 6.333 5.342 10.596 1.00 45.21 O ATOM 1653 OD2 ASP A 100 4.164 5.569 10.635 1.00 60.20 O ATOM 0 H ASP A 100 4.693 8.782 6.834 1.00 3.32 H new ATOM 0 HA ASP A 100 6.542 6.862 7.809 1.00 11.01 H new ATOM 0 HB2 ASP A 100 6.247 7.899 10.014 1.00 10.32 H new ATOM 0 HB3 ASP A 100 4.505 7.934 9.826 1.00 10.32 H new ATOM 1658 N THR A 101 3.237 6.856 7.491 1.00 3.24 N ATOM 1659 CA THR A 101 2.040 6.133 7.018 1.00 70.11 C ATOM 1660 C THR A 101 1.383 6.923 5.867 1.00 73.15 C ATOM 1661 O THR A 101 1.526 8.149 5.797 1.00 53.34 O ATOM 1662 CB THR A 101 1.024 5.929 8.199 1.00 72.25 C ATOM 1663 OG1 THR A 101 1.675 5.263 9.294 1.00 12.54 O ATOM 1664 CG2 THR A 101 -0.212 5.093 7.793 1.00 43.14 C ATOM 0 H THR A 101 3.023 7.776 7.875 1.00 3.24 H new ATOM 0 HA THR A 101 2.335 5.150 6.650 1.00 70.11 H new ATOM 0 HB THR A 101 0.682 6.923 8.486 1.00 72.25 H new ATOM 0 HG1 THR A 101 2.470 5.771 9.560 1.00 12.54 H new ATOM 0 HG21 THR A 101 -0.877 4.986 8.650 1.00 43.14 H new ATOM 0 HG22 THR A 101 -0.741 5.596 6.984 1.00 43.14 H new ATOM 0 HG23 THR A 101 0.110 4.107 7.459 1.00 43.14 H new ATOM 1672 N VAL A 102 0.690 6.215 4.954 1.00 63.12 N ATOM 1673 CA VAL A 102 -0.047 6.835 3.841 1.00 43.13 C ATOM 1674 C VAL A 102 -1.531 6.367 3.823 1.00 23.23 C ATOM 1675 O VAL A 102 -1.829 5.196 3.602 1.00 74.04 O ATOM 1676 CB VAL A 102 0.666 6.568 2.466 1.00 23.53 C ATOM 1677 CG1 VAL A 102 0.894 5.066 2.176 1.00 31.14 C ATOM 1678 CG2 VAL A 102 -0.087 7.261 1.317 1.00 24.30 C ATOM 0 H VAL A 102 0.627 5.197 4.969 1.00 63.12 H new ATOM 0 HA VAL A 102 -0.048 7.914 3.998 1.00 43.13 H new ATOM 0 HB VAL A 102 1.661 7.007 2.540 1.00 23.53 H new ATOM 0 HG11 VAL A 102 1.390 4.953 1.212 1.00 31.14 H new ATOM 0 HG12 VAL A 102 1.519 4.635 2.958 1.00 31.14 H new ATOM 0 HG13 VAL A 102 -0.066 4.550 2.153 1.00 31.14 H new ATOM 0 HG21 VAL A 102 0.424 7.063 0.375 1.00 24.30 H new ATOM 0 HG22 VAL A 102 -1.105 6.876 1.265 1.00 24.30 H new ATOM 0 HG23 VAL A 102 -0.114 8.336 1.496 1.00 24.30 H new ATOM 1688 N THR A 103 -2.453 7.310 4.084 1.00 61.23 N ATOM 1689 CA THR A 103 -3.903 7.097 4.031 1.00 31.14 C ATOM 1690 C THR A 103 -4.418 7.476 2.625 1.00 1.43 C ATOM 1691 O THR A 103 -4.556 8.657 2.288 1.00 43.04 O ATOM 1692 CB THR A 103 -4.613 7.938 5.146 1.00 12.05 C ATOM 1693 OG1 THR A 103 -4.211 7.452 6.438 1.00 75.35 O ATOM 1694 CG2 THR A 103 -6.149 7.899 5.051 1.00 25.22 C ATOM 0 H THR A 103 -2.200 8.263 4.344 1.00 61.23 H new ATOM 0 HA THR A 103 -4.132 6.047 4.215 1.00 31.14 H new ATOM 0 HB THR A 103 -4.308 8.974 5.002 1.00 12.05 H new ATOM 0 HG1 THR A 103 -4.532 6.533 6.556 1.00 75.35 H new ATOM 0 HG21 THR A 103 -6.578 8.501 5.852 1.00 25.22 H new ATOM 0 HG22 THR A 103 -6.464 8.299 4.087 1.00 25.22 H new ATOM 0 HG23 THR A 103 -6.493 6.869 5.147 1.00 25.22 H new ATOM 1702 N VAL A 104 -4.650 6.449 1.806 1.00 64.14 N ATOM 1703 CA VAL A 104 -5.182 6.572 0.448 1.00 50.22 C ATOM 1704 C VAL A 104 -6.643 6.138 0.462 1.00 22.42 C ATOM 1705 O VAL A 104 -6.950 4.960 0.686 1.00 74.44 O ATOM 1706 CB VAL A 104 -4.388 5.673 -0.573 1.00 55.11 C ATOM 1707 CG1 VAL A 104 -4.918 5.839 -2.022 1.00 50.50 C ATOM 1708 CG2 VAL A 104 -2.885 5.972 -0.488 1.00 41.41 C ATOM 0 H VAL A 104 -4.468 5.482 2.076 1.00 64.14 H new ATOM 0 HA VAL A 104 -5.082 7.609 0.129 1.00 50.22 H new ATOM 0 HB VAL A 104 -4.548 4.630 -0.298 1.00 55.11 H new ATOM 0 HG11 VAL A 104 -4.344 5.202 -2.695 1.00 50.50 H new ATOM 0 HG12 VAL A 104 -5.969 5.552 -2.060 1.00 50.50 H new ATOM 0 HG13 VAL A 104 -4.814 6.879 -2.330 1.00 50.50 H new ATOM 0 HG21 VAL A 104 -2.348 5.344 -1.199 1.00 41.41 H new ATOM 0 HG22 VAL A 104 -2.709 7.021 -0.726 1.00 41.41 H new ATOM 0 HG23 VAL A 104 -2.529 5.764 0.521 1.00 41.41 H new ATOM 1718 N GLU A 105 -7.537 7.092 0.237 1.00 75.22 N ATOM 1719 CA GLU A 105 -8.972 6.825 0.111 1.00 42.54 C ATOM 1720 C GLU A 105 -9.328 6.699 -1.371 1.00 73.31 C ATOM 1721 O GLU A 105 -8.589 7.184 -2.234 1.00 24.00 O ATOM 1722 CB GLU A 105 -9.774 7.947 0.808 1.00 52.31 C ATOM 1723 CG GLU A 105 -9.516 8.020 2.330 1.00 71.43 C ATOM 1724 CD GLU A 105 -10.138 9.249 3.002 1.00 55.30 C ATOM 1725 OE1 GLU A 105 -11.365 9.424 2.919 1.00 34.13 O ATOM 1726 OE2 GLU A 105 -9.403 10.040 3.631 1.00 24.11 O ATOM 0 H GLU A 105 -7.291 8.077 0.136 1.00 75.22 H new ATOM 0 HA GLU A 105 -9.231 5.887 0.602 1.00 42.54 H new ATOM 0 HB2 GLU A 105 -9.516 8.905 0.355 1.00 52.31 H new ATOM 0 HB3 GLU A 105 -10.838 7.788 0.633 1.00 52.31 H new ATOM 0 HG2 GLU A 105 -9.912 7.120 2.800 1.00 71.43 H new ATOM 0 HG3 GLU A 105 -8.441 8.025 2.507 1.00 71.43 H new ATOM 1733 N GLY A 106 -10.427 6.007 -1.665 1.00 43.41 N ATOM 1734 CA GLY A 106 -10.899 5.877 -3.042 1.00 13.22 C ATOM 1735 C GLY A 106 -12.390 5.635 -3.118 1.00 71.41 C ATOM 1736 O GLY A 106 -12.948 4.935 -2.259 1.00 72.24 O ATOM 0 H GLY A 106 -11.005 5.530 -0.973 1.00 43.41 H new ATOM 0 HA2 GLY A 106 -10.652 6.783 -3.595 1.00 13.22 H new ATOM 0 HA3 GLY A 106 -10.374 5.054 -3.527 1.00 13.22 H new ATOM 1740 N GLN A 107 -13.038 6.242 -4.136 1.00 31.24 N ATOM 1741 CA GLN A 107 -14.440 5.973 -4.463 1.00 33.00 C ATOM 1742 C GLN A 107 -14.484 4.593 -5.142 1.00 23.21 C ATOM 1743 O GLN A 107 -14.139 4.453 -6.324 1.00 43.41 O ATOM 1744 CB GLN A 107 -14.995 7.086 -5.406 1.00 23.54 C ATOM 1745 CG GLN A 107 -16.533 7.125 -5.564 1.00 2.35 C ATOM 1746 CD GLN A 107 -17.266 7.665 -4.326 1.00 64.33 C ATOM 1747 OE1 GLN A 107 -17.453 8.873 -4.175 1.00 41.33 O ATOM 1748 NE2 GLN A 107 -17.726 6.789 -3.457 1.00 4.31 N ATOM 0 H GLN A 107 -12.598 6.929 -4.748 1.00 31.24 H new ATOM 0 HA GLN A 107 -15.063 5.973 -3.569 1.00 33.00 H new ATOM 0 HB2 GLN A 107 -14.662 8.054 -5.031 1.00 23.54 H new ATOM 0 HB3 GLN A 107 -14.550 6.956 -6.392 1.00 23.54 H new ATOM 0 HG2 GLN A 107 -16.786 7.745 -6.424 1.00 2.35 H new ATOM 0 HG3 GLN A 107 -16.893 6.119 -5.779 1.00 2.35 H new ATOM 0 HE21 GLN A 107 -17.560 5.793 -3.601 1.00 4.31 H new ATOM 0 HE22 GLN A 107 -18.248 7.107 -2.640 1.00 4.31 H new ATOM 1757 N LEU A 108 -14.851 3.578 -4.357 1.00 54.32 N ATOM 1758 CA LEU A 108 -14.888 2.182 -4.796 1.00 62.31 C ATOM 1759 C LEU A 108 -16.234 1.875 -5.478 1.00 1.42 C ATOM 1760 O LEU A 108 -17.220 2.602 -5.296 1.00 55.14 O ATOM 1761 CB LEU A 108 -14.679 1.253 -3.568 1.00 5.43 C ATOM 1762 CG LEU A 108 -14.379 -0.241 -3.878 1.00 12.05 C ATOM 1763 CD1 LEU A 108 -12.990 -0.405 -4.530 1.00 53.23 C ATOM 1764 CD2 LEU A 108 -14.537 -1.113 -2.616 1.00 61.31 C ATOM 0 H LEU A 108 -15.135 3.705 -3.385 1.00 54.32 H new ATOM 0 HA LEU A 108 -14.091 2.007 -5.518 1.00 62.31 H new ATOM 0 HB2 LEU A 108 -13.856 1.651 -2.974 1.00 5.43 H new ATOM 0 HB3 LEU A 108 -15.573 1.301 -2.947 1.00 5.43 H new ATOM 0 HG LEU A 108 -15.114 -0.592 -4.602 1.00 12.05 H new ATOM 0 HD11 LEU A 108 -12.807 -1.460 -4.736 1.00 53.23 H new ATOM 0 HD12 LEU A 108 -12.957 0.158 -5.463 1.00 53.23 H new ATOM 0 HD13 LEU A 108 -12.223 -0.029 -3.852 1.00 53.23 H new ATOM 0 HD21 LEU A 108 -14.321 -2.153 -2.863 1.00 61.31 H new ATOM 0 HD22 LEU A 108 -13.843 -0.771 -1.848 1.00 61.31 H new ATOM 0 HD23 LEU A 108 -15.558 -1.033 -2.244 1.00 61.31 H new ATOM 1776 N GLU A 109 -16.251 0.792 -6.264 1.00 24.23 N ATOM 1777 CA GLU A 109 -17.454 0.283 -6.932 1.00 14.34 C ATOM 1778 C GLU A 109 -18.484 -0.291 -5.930 1.00 32.01 C ATOM 1779 O GLU A 109 -18.271 -0.326 -4.705 1.00 41.03 O ATOM 1780 CB GLU A 109 -17.060 -0.813 -7.958 1.00 75.10 C ATOM 1781 CG GLU A 109 -16.307 -2.015 -7.334 1.00 24.05 C ATOM 1782 CD GLU A 109 -16.303 -3.276 -8.206 1.00 51.52 C ATOM 1783 OE1 GLU A 109 -15.746 -3.234 -9.325 1.00 14.15 O ATOM 1784 OE2 GLU A 109 -16.819 -4.330 -7.764 1.00 10.00 O ATOM 0 H GLU A 109 -15.417 0.237 -6.456 1.00 24.23 H new ATOM 0 HA GLU A 109 -17.924 1.124 -7.441 1.00 14.34 H new ATOM 0 HB2 GLU A 109 -17.962 -1.177 -8.450 1.00 75.10 H new ATOM 0 HB3 GLU A 109 -16.434 -0.366 -8.730 1.00 75.10 H new ATOM 0 HG2 GLU A 109 -15.276 -1.720 -7.136 1.00 24.05 H new ATOM 0 HG3 GLU A 109 -16.761 -2.254 -6.372 1.00 24.05 H new ATOM 1791 N GLY A 110 -19.581 -0.779 -6.511 1.00 42.22 N ATOM 1792 CA GLY A 110 -20.707 -1.332 -5.786 1.00 64.53 C ATOM 1793 C GLY A 110 -21.964 -1.193 -6.626 1.00 63.42 C ATOM 1794 O GLY A 110 -22.112 -1.875 -7.647 1.00 32.54 O ATOM 0 H GLY A 110 -19.706 -0.797 -7.523 1.00 42.22 H new ATOM 0 HA2 GLY A 110 -20.525 -2.382 -5.555 1.00 64.53 H new ATOM 0 HA3 GLY A 110 -20.832 -0.813 -4.836 1.00 64.53 H new ATOM 1798 N VAL A 111 -22.837 -0.254 -6.244 1.00 62.22 N ATOM 1799 CA VAL A 111 -24.125 0.017 -6.929 1.00 31.44 C ATOM 1800 C VAL A 111 -24.235 1.517 -7.306 1.00 55.20 C ATOM 1801 O VAL A 111 -23.377 2.312 -6.922 1.00 55.23 O ATOM 1802 CB VAL A 111 -25.337 -0.397 -6.013 1.00 61.53 C ATOM 1803 CG1 VAL A 111 -25.417 -1.934 -5.832 1.00 64.04 C ATOM 1804 CG2 VAL A 111 -25.275 0.334 -4.645 1.00 50.52 C ATOM 0 H VAL A 111 -22.675 0.352 -5.440 1.00 62.22 H new ATOM 0 HA VAL A 111 -24.156 -0.578 -7.842 1.00 31.44 H new ATOM 0 HB VAL A 111 -26.253 -0.085 -6.516 1.00 61.53 H new ATOM 0 HG11 VAL A 111 -26.265 -2.182 -5.194 1.00 64.04 H new ATOM 0 HG12 VAL A 111 -25.544 -2.409 -6.805 1.00 64.04 H new ATOM 0 HG13 VAL A 111 -24.498 -2.294 -5.369 1.00 64.04 H new ATOM 0 HG21 VAL A 111 -26.123 0.030 -4.031 1.00 50.52 H new ATOM 0 HG22 VAL A 111 -24.347 0.074 -4.135 1.00 50.52 H new ATOM 0 HG23 VAL A 111 -25.311 1.411 -4.806 1.00 50.52 H new ATOM 1814 N ASP A 112 -25.263 1.853 -8.123 1.00 62.11 N ATOM 1815 CA ASP A 112 -25.688 3.251 -8.462 1.00 2.22 C ATOM 1816 C ASP A 112 -24.801 3.952 -9.529 1.00 21.25 C ATOM 1817 O ASP A 112 -25.302 4.747 -10.336 1.00 64.22 O ATOM 1818 CB ASP A 112 -25.843 4.144 -7.185 1.00 74.33 C ATOM 1819 CG ASP A 112 -26.379 5.564 -7.479 1.00 43.02 C ATOM 1820 OD1 ASP A 112 -27.557 5.684 -7.909 1.00 0.11 O ATOM 1821 OD2 ASP A 112 -25.641 6.565 -7.294 1.00 44.23 O ATOM 0 H ASP A 112 -25.840 1.148 -8.581 1.00 62.11 H new ATOM 0 HA ASP A 112 -26.669 3.135 -8.923 1.00 2.22 H new ATOM 0 HB2 ASP A 112 -26.517 3.649 -6.486 1.00 74.33 H new ATOM 0 HB3 ASP A 112 -24.875 4.226 -6.691 1.00 74.33 H new ATOM 1826 N LEU A 113 -23.504 3.634 -9.542 1.00 60.41 N ATOM 1827 CA LEU A 113 -22.490 4.293 -10.403 1.00 14.12 C ATOM 1828 C LEU A 113 -22.759 4.007 -11.906 1.00 22.34 C ATOM 1829 O LEU A 113 -23.107 2.879 -12.267 1.00 14.41 O ATOM 1830 CB LEU A 113 -21.085 3.791 -9.989 1.00 51.52 C ATOM 1831 CG LEU A 113 -20.696 3.988 -8.486 1.00 14.05 C ATOM 1832 CD1 LEU A 113 -19.332 3.342 -8.169 1.00 31.11 C ATOM 1833 CD2 LEU A 113 -20.715 5.478 -8.081 1.00 13.12 C ATOM 0 H LEU A 113 -23.112 2.902 -8.950 1.00 60.41 H new ATOM 0 HA LEU A 113 -22.548 5.373 -10.267 1.00 14.12 H new ATOM 0 HB2 LEU A 113 -21.018 2.729 -10.224 1.00 51.52 H new ATOM 0 HB3 LEU A 113 -20.344 4.301 -10.604 1.00 51.52 H new ATOM 0 HG LEU A 113 -21.452 3.479 -7.889 1.00 14.05 H new ATOM 0 HD11 LEU A 113 -19.092 3.497 -7.117 1.00 31.11 H new ATOM 0 HD12 LEU A 113 -19.379 2.273 -8.377 1.00 31.11 H new ATOM 0 HD13 LEU A 113 -18.560 3.799 -8.789 1.00 31.11 H new ATOM 0 HD21 LEU A 113 -20.440 5.573 -7.031 1.00 13.12 H new ATOM 0 HD22 LEU A 113 -20.003 6.031 -8.694 1.00 13.12 H new ATOM 0 HD23 LEU A 113 -21.716 5.883 -8.232 1.00 13.12 H new ATOM 1845 N GLU A 114 -22.552 5.036 -12.752 1.00 31.51 N ATOM 1846 CA GLU A 114 -22.979 5.047 -14.186 1.00 11.41 C ATOM 1847 C GLU A 114 -22.279 3.979 -15.059 1.00 72.41 C ATOM 1848 O GLU A 114 -22.832 3.562 -16.083 1.00 34.41 O ATOM 1849 CB GLU A 114 -22.765 6.462 -14.810 1.00 35.43 C ATOM 1850 CG GLU A 114 -21.300 6.858 -15.138 1.00 73.42 C ATOM 1851 CD GLU A 114 -20.362 6.891 -13.918 1.00 3.33 C ATOM 1852 OE1 GLU A 114 -20.518 7.797 -13.077 1.00 42.54 O ATOM 1853 OE2 GLU A 114 -19.503 5.988 -13.771 1.00 70.33 O ATOM 0 H GLU A 114 -22.081 5.895 -12.467 1.00 31.51 H new ATOM 0 HA GLU A 114 -24.039 4.794 -14.179 1.00 11.41 H new ATOM 0 HB2 GLU A 114 -23.349 6.522 -15.728 1.00 35.43 H new ATOM 0 HB3 GLU A 114 -23.174 7.203 -14.123 1.00 35.43 H new ATOM 0 HG2 GLU A 114 -20.901 6.154 -15.869 1.00 73.42 H new ATOM 0 HG3 GLU A 114 -21.299 7.841 -15.609 1.00 73.42 H new ATOM 1860 N HIS A 115 -21.058 3.573 -14.663 1.00 31.04 N ATOM 1861 CA HIS A 115 -20.254 2.568 -15.400 1.00 34.04 C ATOM 1862 C HIS A 115 -20.884 1.156 -15.307 1.00 55.12 C ATOM 1863 O HIS A 115 -21.754 0.921 -14.453 1.00 75.15 O ATOM 1864 CB HIS A 115 -18.769 2.585 -14.917 1.00 72.53 C ATOM 1865 CG HIS A 115 -18.514 2.381 -13.436 1.00 43.52 C ATOM 1866 ND1 HIS A 115 -17.287 2.661 -12.858 1.00 2.03 N ATOM 1867 CD2 HIS A 115 -19.286 1.897 -12.429 1.00 44.42 C ATOM 1868 CE1 HIS A 115 -17.317 2.348 -11.578 1.00 41.12 C ATOM 1869 NE2 HIS A 115 -18.515 1.887 -11.293 1.00 71.11 N ATOM 0 H HIS A 115 -20.598 3.929 -13.825 1.00 31.04 H new ATOM 0 HA HIS A 115 -20.257 2.840 -16.456 1.00 34.04 H new ATOM 0 HB2 HIS A 115 -18.229 1.810 -15.461 1.00 72.53 H new ATOM 0 HB3 HIS A 115 -18.332 3.541 -15.205 1.00 72.53 H new ATOM 0 HD2 HIS A 115 -20.315 1.579 -12.507 1.00 44.42 H new ATOM 0 HE1 HIS A 115 -16.498 2.452 -10.882 1.00 41.12 H new ATOM 0 HE2 HIS A 115 -18.823 1.572 -10.373 1.00 71.11 H new ATOM 1878 N HIS A 116 -20.423 0.236 -16.189 1.00 10.40 N ATOM 1879 CA HIS A 116 -21.049 -1.096 -16.385 1.00 2.33 C ATOM 1880 C HIS A 116 -21.017 -1.934 -15.083 1.00 15.52 C ATOM 1881 O HIS A 116 -19.958 -2.120 -14.474 1.00 75.31 O ATOM 1882 CB HIS A 116 -20.412 -1.865 -17.594 1.00 11.03 C ATOM 1883 CG HIS A 116 -18.963 -2.278 -17.466 1.00 35.23 C ATOM 1884 ND1 HIS A 116 -17.922 -1.539 -17.983 1.00 2.43 N ATOM 1885 CD2 HIS A 116 -18.392 -3.396 -16.942 1.00 20.51 C ATOM 1886 CE1 HIS A 116 -16.789 -2.178 -17.785 1.00 75.51 C ATOM 1887 NE2 HIS A 116 -17.042 -3.305 -17.157 1.00 62.10 N ATOM 0 H HIS A 116 -19.609 0.395 -16.783 1.00 10.40 H new ATOM 0 HA HIS A 116 -22.097 -0.930 -16.634 1.00 2.33 H new ATOM 0 HB2 HIS A 116 -21.004 -2.762 -17.773 1.00 11.03 H new ATOM 0 HB3 HIS A 116 -20.507 -1.238 -18.481 1.00 11.03 H new ATOM 0 HD2 HIS A 116 -18.908 -4.206 -16.448 1.00 20.51 H new ATOM 0 HE1 HIS A 116 -15.812 -1.833 -18.089 1.00 75.51 H new ATOM 0 HE2 HIS A 116 -16.348 -3.997 -16.876 1.00 62.10 H new ATOM 1896 N HIS A 117 -22.201 -2.395 -14.657 1.00 5.41 N ATOM 1897 CA HIS A 117 -22.387 -3.145 -13.401 1.00 12.23 C ATOM 1898 C HIS A 117 -23.428 -4.257 -13.604 1.00 12.13 C ATOM 1899 O HIS A 117 -24.414 -4.085 -14.337 1.00 23.11 O ATOM 1900 CB HIS A 117 -22.832 -2.205 -12.247 1.00 72.53 C ATOM 1901 CG HIS A 117 -24.185 -1.561 -12.439 1.00 21.51 C ATOM 1902 ND1 HIS A 117 -25.312 -1.948 -11.739 1.00 65.45 N ATOM 1903 CD2 HIS A 117 -24.589 -0.545 -13.250 1.00 1.50 C ATOM 1904 CE1 HIS A 117 -26.333 -1.197 -12.100 1.00 70.44 C ATOM 1905 NE2 HIS A 117 -25.925 -0.342 -13.015 1.00 22.34 N ATOM 0 H HIS A 117 -23.067 -2.258 -15.178 1.00 5.41 H new ATOM 0 HA HIS A 117 -21.431 -3.590 -13.126 1.00 12.23 H new ATOM 0 HB2 HIS A 117 -22.845 -2.775 -11.318 1.00 72.53 H new ATOM 0 HB3 HIS A 117 -22.085 -1.420 -12.129 1.00 72.53 H new ATOM 0 HD2 HIS A 117 -23.972 0.000 -13.949 1.00 1.50 H new ATOM 0 HE1 HIS A 117 -27.338 -1.270 -11.710 1.00 70.44 H new ATOM 0 HE2 HIS A 117 -26.508 0.358 -13.474 1.00 22.34 H new ATOM 1914 N HIS A 118 -23.173 -5.399 -12.969 1.00 34.31 N ATOM 1915 CA HIS A 118 -24.108 -6.532 -12.886 1.00 4.55 C ATOM 1916 C HIS A 118 -24.577 -6.662 -11.434 1.00 31.53 C ATOM 1917 O HIS A 118 -24.158 -5.883 -10.563 1.00 14.43 O ATOM 1918 CB HIS A 118 -23.401 -7.841 -13.340 1.00 22.50 C ATOM 1919 CG HIS A 118 -22.764 -7.761 -14.702 1.00 12.21 C ATOM 1920 ND1 HIS A 118 -21.517 -8.278 -14.985 1.00 14.51 N ATOM 1921 CD2 HIS A 118 -23.211 -7.217 -15.858 1.00 60.41 C ATOM 1922 CE1 HIS A 118 -21.229 -8.052 -16.250 1.00 31.51 C ATOM 1923 NE2 HIS A 118 -22.237 -7.413 -16.799 1.00 10.31 N ATOM 0 H HIS A 118 -22.292 -5.572 -12.485 1.00 34.31 H new ATOM 0 HA HIS A 118 -24.963 -6.361 -13.540 1.00 4.55 H new ATOM 0 HB2 HIS A 118 -22.635 -8.099 -12.608 1.00 22.50 H new ATOM 0 HB3 HIS A 118 -24.129 -8.652 -13.339 1.00 22.50 H new ATOM 0 HD2 HIS A 118 -24.159 -6.721 -16.009 1.00 60.41 H new ATOM 0 HE1 HIS A 118 -20.318 -8.343 -16.752 1.00 31.51 H new ATOM 0 HE2 HIS A 118 -22.286 -7.111 -17.772 1.00 10.31 H new ATOM 1932 N HIS A 119 -25.461 -7.637 -11.171 1.00 51.43 N ATOM 1933 CA HIS A 119 -25.798 -8.052 -9.798 1.00 2.32 C ATOM 1934 C HIS A 119 -24.652 -8.940 -9.280 1.00 41.20 C ATOM 1935 O HIS A 119 -24.701 -10.173 -9.382 1.00 44.34 O ATOM 1936 CB HIS A 119 -27.184 -8.766 -9.727 1.00 4.54 C ATOM 1937 CG HIS A 119 -28.358 -7.840 -9.933 1.00 41.04 C ATOM 1938 ND1 HIS A 119 -28.937 -7.136 -8.898 1.00 33.12 N ATOM 1939 CD2 HIS A 119 -29.055 -7.498 -11.047 1.00 42.30 C ATOM 1940 CE1 HIS A 119 -29.932 -6.409 -9.362 1.00 13.20 C ATOM 1941 NE2 HIS A 119 -30.024 -6.608 -10.661 1.00 74.05 N ATOM 0 H HIS A 119 -25.958 -8.156 -11.895 1.00 51.43 H new ATOM 0 HA HIS A 119 -25.897 -7.176 -9.158 1.00 2.32 H new ATOM 0 HB2 HIS A 119 -27.216 -9.552 -10.482 1.00 4.54 H new ATOM 0 HB3 HIS A 119 -27.283 -9.252 -8.756 1.00 4.54 H new ATOM 0 HD2 HIS A 119 -28.879 -7.859 -12.049 1.00 42.30 H new ATOM 0 HE1 HIS A 119 -30.566 -5.759 -8.777 1.00 13.20 H new ATOM 0 HE2 HIS A 119 -30.706 -6.170 -11.280 1.00 74.05 H new ATOM 1950 N HIS A 120 -23.585 -8.263 -8.820 1.00 74.10 N ATOM 1951 CA HIS A 120 -22.350 -8.877 -8.308 1.00 3.45 C ATOM 1952 C HIS A 120 -22.649 -9.667 -7.009 1.00 11.43 C ATOM 1953 O HIS A 120 -23.119 -9.040 -6.034 1.00 33.21 O ATOM 1954 CB HIS A 120 -21.297 -7.754 -8.054 1.00 13.51 C ATOM 1955 CG HIS A 120 -19.947 -8.231 -7.592 1.00 32.51 C ATOM 1956 ND1 HIS A 120 -19.720 -8.781 -6.349 1.00 71.00 N ATOM 1957 CD2 HIS A 120 -18.748 -8.238 -8.218 1.00 24.10 C ATOM 1958 CE1 HIS A 120 -18.451 -9.103 -6.241 1.00 62.31 C ATOM 1959 NE2 HIS A 120 -17.842 -8.788 -7.356 1.00 73.40 N ATOM 1960 OXT HIS A 120 -22.404 -10.891 -6.963 1.00 37.55 O ATOM 0 H HIS A 120 -23.559 -7.244 -8.794 1.00 74.10 H new ATOM 0 HA HIS A 120 -21.950 -9.579 -9.039 1.00 3.45 H new ATOM 0 HB2 HIS A 120 -21.168 -7.185 -8.975 1.00 13.51 H new ATOM 0 HB3 HIS A 120 -21.696 -7.067 -7.308 1.00 13.51 H new ATOM 0 HD2 HIS A 120 -18.545 -7.876 -9.215 1.00 24.10 H new ATOM 0 HE1 HIS A 120 -17.987 -9.553 -5.376 1.00 62.31 H new ATOM 0 HE2 HIS A 120 -16.851 -8.930 -7.550 1.00 73.40 H new TER 1969 HIS A 120