USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 789 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 75 LYS NZ :NH3+ 179:sc= 1.1 (180deg=-0.0843) USER MOD Set 1.2: A 89 GLN : amide:sc= 0.743 K(o=1.5,f=-11!) USER MOD Set 1.3: A 90 HIS : no HE2:sc= -0.336 K(o=1.5,f=-1.1) USER MOD Set 2.1: A 22 GLN : amide:sc= -3.4! K(o=-7.9!,f=-1.3) USER MOD Set 2.2: A 24 ASN : amide:sc= -4.51! K(o=-7.9!,f=-1.3) USER MOD Set 3.1: A 7 SER OG : rot -134:sc= 0.703 USER MOD Set 3.2: A 9 GLN : amide:sc= -1.28! C(o=-0.58!,f=-4.8!) USER MOD Set 4.1: A 1 MET CE :methyl 170:sc= 0 (180deg=0) USER MOD Set 4.2: A 2 THR OG1 : rot 161:sc= 0.771 USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0703 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.0495 X(o=-0.05,f=-0.0074) USER MOD Single : A 17 GLN : amide:sc= -0.575 K(o=-0.57,f=-1.7) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.00738 K(o=0.0074,f=-7.5!) USER MOD Single : A 28 MET CE :methyl 165:sc= -0.0655 (180deg=-0.389) USER MOD Single : A 36 SER OG : rot -17:sc= -0.618 USER MOD Single : A 37 SER OG : rot 83:sc= 0.799 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -121:sc= 1.16 (180deg=-0.516) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0416) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 62 LYS NZ :NH3+ 156:sc= -1.62! (180deg=-3.36!) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0.274 (180deg=0.0658) USER MOD Single : A 64 THR OG1 : rot -124:sc= 0.538 USER MOD Single : A 65 LYS NZ :NH3+ -139:sc= 0.397 (180deg=-0.0358) USER MOD Single : A 66 ASN : amide:sc= -3.12! X(o=-3.1!,f=-2.8) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0907) USER MOD Single : A 79 SER OG : rot 130:sc= 0.79 USER MOD Single : A 81 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.58) USER MOD Single : A 82 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.914) USER MOD Single : A 88 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.080 -1.210 -3.913 1.00 13.42 N ATOM 2 CA MET A 1 1.086 -1.464 -2.834 1.00 11.11 C ATOM 3 C MET A 1 1.644 -2.438 -1.782 1.00 22.34 C ATOM 4 O MET A 1 2.593 -3.173 -2.052 1.00 43.42 O ATOM 5 CB MET A 1 -0.217 -2.014 -3.441 1.00 24.54 C ATOM 6 CG MET A 1 -1.329 -2.230 -2.423 1.00 4.21 C ATOM 7 SD MET A 1 -1.577 -0.784 -1.374 1.00 71.51 S ATOM 8 CE MET A 1 -2.904 -1.349 -0.307 1.00 0.21 C ATOM 0 H1 MET A 1 2.433 -0.235 -3.838 1.00 13.42 H new ATOM 0 H2 MET A 1 2.875 -1.874 -3.816 1.00 13.42 H new ATOM 0 H3 MET A 1 1.628 -1.344 -4.840 1.00 13.42 H new ATOM 0 HA MET A 1 0.874 -0.520 -2.333 1.00 11.11 H new ATOM 0 HB2 MET A 1 -0.569 -1.324 -4.208 1.00 24.54 H new ATOM 0 HB3 MET A 1 -0.004 -2.960 -3.938 1.00 24.54 H new ATOM 0 HG2 MET A 1 -2.257 -2.463 -2.945 1.00 4.21 H new ATOM 0 HG3 MET A 1 -1.088 -3.092 -1.801 1.00 4.21 H new ATOM 0 HE1 MET A 1 -3.046 -0.636 0.505 1.00 0.21 H new ATOM 0 HE2 MET A 1 -3.825 -1.430 -0.884 1.00 0.21 H new ATOM 0 HE3 MET A 1 -2.648 -2.324 0.107 1.00 0.21 H new ATOM 20 N THR A 2 1.046 -2.434 -0.584 1.00 11.43 N ATOM 21 CA THR A 2 1.494 -3.288 0.533 1.00 13.03 C ATOM 22 C THR A 2 1.561 -4.777 0.152 1.00 72.31 C ATOM 23 O THR A 2 0.797 -5.261 -0.690 1.00 52.25 O ATOM 24 CB THR A 2 0.564 -3.140 1.766 1.00 25.33 C ATOM 25 OG1 THR A 2 -0.784 -3.492 1.417 1.00 52.00 O ATOM 26 CG2 THR A 2 0.589 -1.715 2.312 1.00 53.03 C ATOM 0 H THR A 2 0.244 -1.845 -0.359 1.00 11.43 H new ATOM 0 HA THR A 2 2.499 -2.945 0.778 1.00 13.03 H new ATOM 0 HB THR A 2 0.931 -3.815 2.539 1.00 25.33 H new ATOM 0 HG1 THR A 2 -1.290 -3.696 2.231 1.00 52.00 H new ATOM 0 HG21 THR A 2 -0.073 -1.644 3.175 1.00 53.03 H new ATOM 0 HG22 THR A 2 1.605 -1.458 2.612 1.00 53.03 H new ATOM 0 HG23 THR A 2 0.253 -1.023 1.540 1.00 53.03 H new ATOM 34 N ALA A 3 2.488 -5.498 0.785 1.00 24.41 N ATOM 35 CA ALA A 3 2.673 -6.935 0.535 1.00 64.40 C ATOM 36 C ALA A 3 3.200 -7.659 1.783 1.00 54.05 C ATOM 37 O ALA A 3 2.691 -8.716 2.162 1.00 0.41 O ATOM 38 CB ALA A 3 3.619 -7.150 -0.644 1.00 34.55 C ATOM 0 H ALA A 3 3.127 -5.111 1.479 1.00 24.41 H new ATOM 0 HA ALA A 3 1.699 -7.360 0.290 1.00 64.40 H new ATOM 0 HB1 ALA A 3 3.747 -8.218 -0.818 1.00 34.55 H new ATOM 0 HB2 ALA A 3 3.200 -6.685 -1.536 1.00 34.55 H new ATOM 0 HB3 ALA A 3 4.587 -6.700 -0.421 1.00 34.55 H new ATOM 44 N ALA A 4 4.226 -7.090 2.414 1.00 2.31 N ATOM 45 CA ALA A 4 4.792 -7.654 3.645 1.00 2.15 C ATOM 46 C ALA A 4 5.604 -6.607 4.428 1.00 11.23 C ATOM 47 O ALA A 4 6.357 -5.828 3.840 1.00 45.34 O ATOM 48 CB ALA A 4 5.669 -8.860 3.320 1.00 30.42 C ATOM 0 H ALA A 4 4.685 -6.237 2.095 1.00 2.31 H new ATOM 0 HA ALA A 4 3.961 -7.972 4.275 1.00 2.15 H new ATOM 0 HB1 ALA A 4 6.082 -9.268 4.242 1.00 30.42 H new ATOM 0 HB2 ALA A 4 5.070 -9.622 2.822 1.00 30.42 H new ATOM 0 HB3 ALA A 4 6.482 -8.552 2.663 1.00 30.42 H new ATOM 54 N PRO A 5 5.455 -6.564 5.769 1.00 32.22 N ATOM 55 CA PRO A 5 6.251 -5.662 6.627 1.00 42.42 C ATOM 56 C PRO A 5 7.709 -6.131 6.787 1.00 1.13 C ATOM 57 O PRO A 5 8.606 -5.326 7.030 1.00 62.31 O ATOM 58 CB PRO A 5 5.508 -5.720 7.967 1.00 11.02 C ATOM 59 CG PRO A 5 4.871 -7.069 7.982 1.00 63.34 C ATOM 60 CD PRO A 5 4.492 -7.365 6.552 1.00 15.53 C ATOM 0 HA PRO A 5 6.332 -4.659 6.209 1.00 42.42 H new ATOM 0 HB2 PRO A 5 6.192 -5.595 8.806 1.00 11.02 H new ATOM 0 HB3 PRO A 5 4.763 -4.928 8.042 1.00 11.02 H new ATOM 0 HG2 PRO A 5 5.559 -7.821 8.367 1.00 63.34 H new ATOM 0 HG3 PRO A 5 3.993 -7.079 8.628 1.00 63.34 H new ATOM 0 HD2 PRO A 5 4.576 -8.428 6.326 1.00 15.53 H new ATOM 0 HD3 PRO A 5 3.463 -7.075 6.341 1.00 15.53 H new ATOM 68 N ALA A 6 7.927 -7.444 6.654 1.00 51.24 N ATOM 69 CA ALA A 6 9.269 -8.047 6.724 1.00 34.11 C ATOM 70 C ALA A 6 9.958 -7.823 8.087 1.00 50.53 C ATOM 71 O ALA A 6 9.971 -8.716 8.937 1.00 5.04 O ATOM 72 CB ALA A 6 10.146 -7.536 5.582 1.00 73.30 C ATOM 0 H ALA A 6 7.181 -8.121 6.495 1.00 51.24 H new ATOM 0 HA ALA A 6 9.137 -9.124 6.617 1.00 34.11 H new ATOM 0 HB1 ALA A 6 11.134 -7.992 5.650 1.00 73.30 H new ATOM 0 HB2 ALA A 6 9.690 -7.798 4.627 1.00 73.30 H new ATOM 0 HB3 ALA A 6 10.241 -6.452 5.653 1.00 73.30 H new ATOM 78 N SER A 7 10.530 -6.633 8.289 1.00 2.13 N ATOM 79 CA SER A 7 11.276 -6.330 9.522 1.00 33.43 C ATOM 80 C SER A 7 10.583 -5.219 10.341 1.00 2.11 C ATOM 81 O SER A 7 10.147 -4.207 9.789 1.00 21.00 O ATOM 82 CB SER A 7 12.720 -5.932 9.185 1.00 23.12 C ATOM 83 OG SER A 7 13.543 -5.948 10.342 1.00 2.21 O ATOM 0 H SER A 7 10.493 -5.864 7.620 1.00 2.13 H new ATOM 0 HA SER A 7 11.293 -7.231 10.136 1.00 33.43 H new ATOM 0 HB2 SER A 7 13.124 -6.617 8.439 1.00 23.12 H new ATOM 0 HB3 SER A 7 12.731 -4.936 8.742 1.00 23.12 H new ATOM 0 HG SER A 7 14.084 -5.132 10.370 1.00 2.21 H new ATOM 89 N PRO A 8 10.495 -5.390 11.677 1.00 63.41 N ATOM 90 CA PRO A 8 9.669 -4.532 12.566 1.00 12.32 C ATOM 91 C PRO A 8 10.005 -3.020 12.566 1.00 73.42 C ATOM 92 O PRO A 8 9.128 -2.199 12.841 1.00 21.33 O ATOM 93 CB PRO A 8 9.918 -5.126 13.963 1.00 14.21 C ATOM 94 CG PRO A 8 10.382 -6.520 13.712 1.00 51.14 C ATOM 95 CD PRO A 8 11.183 -6.453 12.442 1.00 43.31 C ATOM 0 HA PRO A 8 8.635 -4.546 12.223 1.00 12.32 H new ATOM 0 HB2 PRO A 8 10.668 -4.552 14.508 1.00 14.21 H new ATOM 0 HB3 PRO A 8 9.009 -5.115 14.564 1.00 14.21 H new ATOM 0 HG2 PRO A 8 10.989 -6.887 14.540 1.00 51.14 H new ATOM 0 HG3 PRO A 8 9.538 -7.202 13.608 1.00 51.14 H new ATOM 0 HD2 PRO A 8 12.226 -6.202 12.634 1.00 43.31 H new ATOM 0 HD3 PRO A 8 11.177 -7.404 11.909 1.00 43.31 H new ATOM 103 N GLN A 9 11.250 -2.644 12.265 1.00 42.20 N ATOM 104 CA GLN A 9 11.690 -1.239 12.444 1.00 44.23 C ATOM 105 C GLN A 9 10.868 -0.259 11.587 1.00 13.40 C ATOM 106 O GLN A 9 10.474 0.813 12.052 1.00 54.24 O ATOM 107 CB GLN A 9 13.183 -1.065 12.105 1.00 1.22 C ATOM 108 CG GLN A 9 14.104 -2.101 12.743 1.00 40.11 C ATOM 109 CD GLN A 9 14.148 -3.395 11.955 1.00 2.13 C ATOM 110 OE1 GLN A 9 14.009 -3.390 10.738 1.00 11.01 O ATOM 111 NE2 GLN A 9 14.314 -4.507 12.635 1.00 3.24 N ATOM 0 H GLN A 9 11.967 -3.272 11.902 1.00 42.20 H new ATOM 0 HA GLN A 9 11.528 -1.007 13.497 1.00 44.23 H new ATOM 0 HB2 GLN A 9 13.304 -1.108 11.023 1.00 1.22 H new ATOM 0 HB3 GLN A 9 13.501 -0.072 12.422 1.00 1.22 H new ATOM 0 HG2 GLN A 9 15.111 -1.691 12.820 1.00 40.11 H new ATOM 0 HG3 GLN A 9 13.766 -2.308 13.758 1.00 40.11 H new ATOM 0 HE21 GLN A 9 14.427 -4.473 13.648 1.00 3.24 H new ATOM 0 HE22 GLN A 9 14.330 -5.404 12.150 1.00 3.24 H new ATOM 120 N GLN A 10 10.609 -0.640 10.340 1.00 12.03 N ATOM 121 CA GLN A 10 9.851 0.201 9.401 1.00 74.41 C ATOM 122 C GLN A 10 8.396 0.406 9.860 1.00 52.11 C ATOM 123 O GLN A 10 7.778 1.436 9.572 1.00 1.11 O ATOM 124 CB GLN A 10 9.875 -0.412 7.994 1.00 70.45 C ATOM 125 CG GLN A 10 9.197 -1.773 7.902 1.00 32.22 C ATOM 126 CD GLN A 10 9.272 -2.368 6.509 1.00 24.10 C ATOM 127 OE1 GLN A 10 8.400 -2.141 5.672 1.00 61.52 O ATOM 128 NE2 GLN A 10 10.310 -3.132 6.249 1.00 72.30 N ATOM 0 H GLN A 10 10.913 -1.531 9.948 1.00 12.03 H new ATOM 0 HA GLN A 10 10.334 1.178 9.378 1.00 74.41 H new ATOM 0 HB2 GLN A 10 9.387 0.274 7.301 1.00 70.45 H new ATOM 0 HB3 GLN A 10 10.911 -0.510 7.669 1.00 70.45 H new ATOM 0 HG2 GLN A 10 9.664 -2.456 8.611 1.00 32.22 H new ATOM 0 HG3 GLN A 10 8.152 -1.675 8.196 1.00 32.22 H new ATOM 0 HE21 GLN A 10 11.014 -3.298 6.968 1.00 72.30 H new ATOM 0 HE22 GLN A 10 10.411 -3.559 5.328 1.00 72.30 H new ATOM 137 N ILE A 11 7.859 -0.585 10.574 1.00 34.22 N ATOM 138 CA ILE A 11 6.445 -0.593 10.960 1.00 4.14 C ATOM 139 C ILE A 11 6.074 0.635 11.812 1.00 50.04 C ATOM 140 O ILE A 11 4.987 1.192 11.658 1.00 42.43 O ATOM 141 CB ILE A 11 6.081 -1.891 11.734 1.00 74.13 C ATOM 142 CG1 ILE A 11 6.396 -3.133 10.879 1.00 41.32 C ATOM 143 CG2 ILE A 11 4.608 -1.884 12.153 1.00 64.44 C ATOM 144 CD1 ILE A 11 6.081 -4.448 11.565 1.00 10.14 C ATOM 0 H ILE A 11 8.384 -1.397 10.899 1.00 34.22 H new ATOM 0 HA ILE A 11 5.870 -0.555 10.035 1.00 4.14 H new ATOM 0 HB ILE A 11 6.688 -1.930 12.638 1.00 74.13 H new ATOM 0 HG12 ILE A 11 5.830 -3.075 9.949 1.00 41.32 H new ATOM 0 HG13 ILE A 11 7.452 -3.119 10.610 1.00 41.32 H new ATOM 0 HG21 ILE A 11 4.379 -2.803 12.693 1.00 64.44 H new ATOM 0 HG22 ILE A 11 4.417 -1.027 12.799 1.00 64.44 H new ATOM 0 HG23 ILE A 11 3.978 -1.817 11.266 1.00 64.44 H new ATOM 0 HD11 ILE A 11 6.330 -5.274 10.899 1.00 10.14 H new ATOM 0 HD12 ILE A 11 6.667 -4.530 12.480 1.00 10.14 H new ATOM 0 HD13 ILE A 11 5.019 -4.486 11.809 1.00 10.14 H new ATOM 156 N ARG A 12 6.984 1.085 12.681 1.00 65.15 N ATOM 157 CA ARG A 12 6.703 2.248 13.537 1.00 22.51 C ATOM 158 C ARG A 12 6.343 3.486 12.698 1.00 4.43 C ATOM 159 O ARG A 12 5.386 4.200 13.004 1.00 40.33 O ATOM 160 CB ARG A 12 7.889 2.574 14.457 1.00 43.31 C ATOM 161 CG ARG A 12 7.598 3.740 15.403 1.00 34.42 C ATOM 162 CD ARG A 12 8.704 3.970 16.425 1.00 42.23 C ATOM 163 NE ARG A 12 8.338 5.028 17.372 1.00 34.55 N ATOM 164 CZ ARG A 12 8.469 4.945 18.669 1.00 65.44 C ATOM 165 NH1 ARG A 12 9.033 3.919 19.217 1.00 62.11 N1+ ATOM 166 NH2 ARG A 12 8.048 5.907 19.421 1.00 52.44 N ATOM 0 H ARG A 12 7.907 0.672 12.812 1.00 65.15 H new ATOM 0 HA ARG A 12 5.847 1.982 14.157 1.00 22.51 H new ATOM 0 HB2 ARG A 12 8.143 1.691 15.043 1.00 43.31 H new ATOM 0 HB3 ARG A 12 8.761 2.814 13.848 1.00 43.31 H new ATOM 0 HG2 ARG A 12 7.458 4.649 14.818 1.00 34.42 H new ATOM 0 HG3 ARG A 12 6.661 3.550 15.927 1.00 34.42 H new ATOM 0 HD2 ARG A 12 8.900 3.045 16.967 1.00 42.23 H new ATOM 0 HD3 ARG A 12 9.627 4.241 15.912 1.00 42.23 H new ATOM 0 HE ARG A 12 7.953 5.892 16.990 1.00 34.55 H new ATOM 0 HH11 ARG A 12 9.384 3.158 18.635 1.00 62.11 H new ATOM 0 HH12 ARG A 12 9.127 3.870 20.231 1.00 62.11 H new ATOM 0 HH21 ARG A 12 7.614 6.730 19.002 1.00 52.44 H new ATOM 0 HH22 ARG A 12 8.149 5.844 20.434 1.00 52.44 H new ATOM 180 N ASP A 13 7.105 3.727 11.632 1.00 53.22 N ATOM 181 CA ASP A 13 6.828 4.844 10.724 1.00 75.25 C ATOM 182 C ASP A 13 5.425 4.704 10.107 1.00 62.13 C ATOM 183 O ASP A 13 4.711 5.691 9.920 1.00 5.04 O ATOM 184 CB ASP A 13 7.897 4.901 9.626 1.00 63.01 C ATOM 185 CG ASP A 13 7.725 6.094 8.702 1.00 2.42 C ATOM 186 OD1 ASP A 13 8.200 7.195 9.048 1.00 61.42 O ATOM 187 OD2 ASP A 13 7.114 5.937 7.624 1.00 33.32 O1- ATOM 0 H ASP A 13 7.917 3.167 11.375 1.00 53.22 H new ATOM 0 HA ASP A 13 6.857 5.774 11.291 1.00 75.25 H new ATOM 0 HB2 ASP A 13 8.884 4.943 10.087 1.00 63.01 H new ATOM 0 HB3 ASP A 13 7.858 3.983 9.039 1.00 63.01 H new ATOM 192 N ARG A 14 5.031 3.462 9.819 1.00 51.00 N ATOM 193 CA ARG A 14 3.705 3.174 9.257 1.00 73.22 C ATOM 194 C ARG A 14 2.581 3.597 10.222 1.00 45.21 C ATOM 195 O ARG A 14 1.546 4.106 9.796 1.00 21.13 O ATOM 196 CB ARG A 14 3.576 1.680 8.923 1.00 61.41 C ATOM 197 CG ARG A 14 4.660 1.141 7.985 1.00 22.12 C ATOM 198 CD ARG A 14 4.609 1.777 6.594 1.00 2.15 C ATOM 199 NE ARG A 14 5.088 3.161 6.585 1.00 50.55 N ATOM 200 CZ ARG A 14 4.989 3.962 5.561 1.00 41.53 C ATOM 201 NH1 ARG A 14 4.423 3.571 4.466 1.00 31.23 N1+ ATOM 202 NH2 ARG A 14 5.454 5.164 5.635 1.00 72.31 N ATOM 0 H ARG A 14 5.611 2.636 9.965 1.00 51.00 H new ATOM 0 HA ARG A 14 3.602 3.755 8.341 1.00 73.22 H new ATOM 0 HB2 ARG A 14 3.601 1.110 9.852 1.00 61.41 H new ATOM 0 HB3 ARG A 14 2.601 1.506 8.468 1.00 61.41 H new ATOM 0 HG2 ARG A 14 5.640 1.322 8.427 1.00 22.12 H new ATOM 0 HG3 ARG A 14 4.548 0.061 7.890 1.00 22.12 H new ATOM 0 HD2 ARG A 14 5.212 1.184 5.906 1.00 2.15 H new ATOM 0 HD3 ARG A 14 3.584 1.750 6.224 1.00 2.15 H new ATOM 0 HE ARG A 14 5.526 3.521 7.433 1.00 50.55 H new ATOM 0 HH11 ARG A 14 4.047 2.625 4.396 1.00 31.23 H new ATOM 0 HH12 ARG A 14 4.352 4.208 3.673 1.00 31.23 H new ATOM 0 HH21 ARG A 14 5.899 5.487 6.494 1.00 72.31 H new ATOM 0 HH22 ARG A 14 5.377 5.791 4.834 1.00 72.31 H new ATOM 216 N LEU A 15 2.789 3.385 11.520 1.00 1.31 N ATOM 217 CA LEU A 15 1.820 3.825 12.535 1.00 22.54 C ATOM 218 C LEU A 15 1.702 5.359 12.570 1.00 52.43 C ATOM 219 O LEU A 15 0.604 5.908 12.503 1.00 62.34 O ATOM 220 CB LEU A 15 2.210 3.310 13.932 1.00 50.11 C ATOM 221 CG LEU A 15 1.839 1.846 14.240 1.00 1.12 C ATOM 222 CD1 LEU A 15 2.520 0.888 13.273 1.00 11.43 C ATOM 223 CD2 LEU A 15 2.198 1.496 15.685 1.00 52.05 C ATOM 0 H LEU A 15 3.612 2.915 11.897 1.00 1.31 H new ATOM 0 HA LEU A 15 0.853 3.405 12.257 1.00 22.54 H new ATOM 0 HB2 LEU A 15 3.287 3.424 14.052 1.00 50.11 H new ATOM 0 HB3 LEU A 15 1.737 3.949 14.678 1.00 50.11 H new ATOM 0 HG LEU A 15 0.762 1.739 14.112 1.00 1.12 H new ATOM 0 HD11 LEU A 15 2.238 -0.136 13.517 1.00 11.43 H new ATOM 0 HD12 LEU A 15 2.209 1.117 12.254 1.00 11.43 H new ATOM 0 HD13 LEU A 15 3.602 0.996 13.355 1.00 11.43 H new ATOM 0 HD21 LEU A 15 1.929 0.459 15.886 1.00 52.05 H new ATOM 0 HD22 LEU A 15 3.269 1.629 15.836 1.00 52.05 H new ATOM 0 HD23 LEU A 15 1.652 2.150 16.364 1.00 52.05 H new ATOM 235 N LEU A 16 2.844 6.039 12.651 1.00 71.31 N ATOM 236 CA LEU A 16 2.870 7.504 12.791 1.00 2.54 C ATOM 237 C LEU A 16 2.330 8.230 11.545 1.00 63.33 C ATOM 238 O LEU A 16 1.801 9.335 11.651 1.00 72.40 O ATOM 239 CB LEU A 16 4.288 7.995 13.136 1.00 34.43 C ATOM 240 CG LEU A 16 4.686 7.855 14.622 1.00 10.45 C ATOM 241 CD1 LEU A 16 4.700 6.393 15.062 1.00 44.04 C ATOM 242 CD2 LEU A 16 6.042 8.504 14.881 1.00 44.12 C ATOM 0 H LEU A 16 3.766 5.604 12.623 1.00 71.31 H new ATOM 0 HA LEU A 16 2.201 7.752 13.615 1.00 2.54 H new ATOM 0 HB2 LEU A 16 5.005 7.441 12.530 1.00 34.43 H new ATOM 0 HB3 LEU A 16 4.372 9.044 12.851 1.00 34.43 H new ATOM 0 HG LEU A 16 3.933 8.374 15.215 1.00 10.45 H new ATOM 0 HD11 LEU A 16 4.984 6.332 16.113 1.00 44.04 H new ATOM 0 HD12 LEU A 16 3.707 5.964 14.929 1.00 44.04 H new ATOM 0 HD13 LEU A 16 5.419 5.838 14.459 1.00 44.04 H new ATOM 0 HD21 LEU A 16 6.303 8.394 15.934 1.00 44.12 H new ATOM 0 HD22 LEU A 16 6.801 8.019 14.266 1.00 44.12 H new ATOM 0 HD23 LEU A 16 5.993 9.563 14.628 1.00 44.12 H new ATOM 254 N GLN A 17 2.464 7.624 10.365 1.00 3.11 N ATOM 255 CA GLN A 17 1.872 8.203 9.145 1.00 4.31 C ATOM 256 C GLN A 17 0.355 7.937 9.093 1.00 22.42 C ATOM 257 O GLN A 17 -0.364 8.522 8.280 1.00 22.44 O ATOM 258 CB GLN A 17 2.577 7.664 7.878 1.00 74.44 C ATOM 259 CG GLN A 17 2.403 6.164 7.623 1.00 64.32 C ATOM 260 CD GLN A 17 1.096 5.807 6.923 1.00 32.34 C ATOM 261 OE1 GLN A 17 0.571 6.573 6.122 1.00 20.43 O ATOM 262 NE2 GLN A 17 0.560 4.644 7.227 1.00 52.22 N ATOM 0 H GLN A 17 2.967 6.748 10.222 1.00 3.11 H new ATOM 0 HA GLN A 17 2.022 9.282 9.175 1.00 4.31 H new ATOM 0 HB2 GLN A 17 2.201 8.209 7.013 1.00 74.44 H new ATOM 0 HB3 GLN A 17 3.642 7.882 7.954 1.00 74.44 H new ATOM 0 HG2 GLN A 17 3.237 5.808 7.018 1.00 64.32 H new ATOM 0 HG3 GLN A 17 2.451 5.635 8.575 1.00 64.32 H new ATOM 0 HE21 GLN A 17 1.022 4.029 7.897 1.00 52.22 H new ATOM 0 HE22 GLN A 17 -0.317 4.357 6.792 1.00 52.22 H new ATOM 271 N ALA A 18 -0.124 7.052 9.970 1.00 23.13 N ATOM 272 CA ALA A 18 -1.547 6.680 10.020 1.00 22.13 C ATOM 273 C ALA A 18 -2.279 7.320 11.217 1.00 10.43 C ATOM 274 O ALA A 18 -3.507 7.260 11.308 1.00 61.04 O ATOM 275 CB ALA A 18 -1.679 5.163 10.071 1.00 53.12 C ATOM 0 H ALA A 18 0.454 6.575 10.661 1.00 23.13 H new ATOM 0 HA ALA A 18 -2.020 7.062 9.115 1.00 22.13 H new ATOM 0 HB1 ALA A 18 -2.734 4.891 10.108 1.00 53.12 H new ATOM 0 HB2 ALA A 18 -1.223 4.728 9.182 1.00 53.12 H new ATOM 0 HB3 ALA A 18 -1.175 4.784 10.960 1.00 53.12 H new ATOM 281 N ILE A 19 -1.529 7.921 12.140 1.00 5.40 N ATOM 282 CA ILE A 19 -2.123 8.587 13.311 1.00 13.11 C ATOM 283 C ILE A 19 -1.556 10.003 13.501 1.00 64.54 C ATOM 284 O ILE A 19 -0.437 10.299 13.081 1.00 22.14 O ATOM 285 CB ILE A 19 -1.896 7.778 14.619 1.00 32.04 C ATOM 286 CG1 ILE A 19 -0.394 7.665 14.939 1.00 32.24 C ATOM 287 CG2 ILE A 19 -2.534 6.392 14.514 1.00 44.44 C ATOM 288 CD1 ILE A 19 -0.092 6.929 16.230 1.00 52.44 C ATOM 0 H ILE A 19 -0.510 7.963 12.105 1.00 5.40 H new ATOM 0 HA ILE A 19 -3.193 8.647 13.113 1.00 13.11 H new ATOM 0 HB ILE A 19 -2.377 8.313 15.438 1.00 32.04 H new ATOM 0 HG12 ILE A 19 0.105 7.153 14.116 1.00 32.24 H new ATOM 0 HG13 ILE A 19 0.031 8.667 14.996 1.00 32.24 H new ATOM 0 HG21 ILE A 19 -2.364 5.842 15.440 1.00 44.44 H new ATOM 0 HG22 ILE A 19 -3.606 6.497 14.346 1.00 44.44 H new ATOM 0 HG23 ILE A 19 -2.088 5.848 13.681 1.00 44.44 H new ATOM 0 HD11 ILE A 19 0.986 6.892 16.384 1.00 52.44 H new ATOM 0 HD12 ILE A 19 -0.560 7.451 17.065 1.00 52.44 H new ATOM 0 HD13 ILE A 19 -0.485 5.914 16.171 1.00 52.44 H new ATOM 300 N ASP A 20 -2.338 10.879 14.130 1.00 63.54 N ATOM 301 CA ASP A 20 -1.873 12.231 14.452 1.00 44.42 C ATOM 302 C ASP A 20 -0.905 12.216 15.647 1.00 14.24 C ATOM 303 O ASP A 20 -1.026 11.378 16.550 1.00 74.12 O ATOM 304 CB ASP A 20 -3.058 13.156 14.766 1.00 20.13 C ATOM 305 CG ASP A 20 -3.878 13.502 13.540 1.00 62.52 C ATOM 306 OD1 ASP A 20 -5.045 13.079 13.456 1.00 34.44 O ATOM 307 OD2 ASP A 20 -3.360 14.224 12.661 1.00 24.44 O1- ATOM 0 H ASP A 20 -3.293 10.680 14.427 1.00 63.54 H new ATOM 0 HA ASP A 20 -1.345 12.610 13.577 1.00 44.42 H new ATOM 0 HB2 ASP A 20 -3.701 12.676 15.503 1.00 20.13 H new ATOM 0 HB3 ASP A 20 -2.685 14.075 15.218 1.00 20.13 H new ATOM 312 N PRO A 21 0.059 13.161 15.679 1.00 3.21 N ATOM 313 CA PRO A 21 1.033 13.280 16.784 1.00 4.03 C ATOM 314 C PRO A 21 0.374 13.355 18.174 1.00 24.33 C ATOM 315 O PRO A 21 1.022 13.096 19.188 1.00 2.12 O ATOM 316 CB PRO A 21 1.773 14.586 16.463 1.00 40.43 C ATOM 317 CG PRO A 21 1.652 14.730 14.984 1.00 34.34 C ATOM 318 CD PRO A 21 0.294 14.181 14.633 1.00 71.32 C ATOM 0 HA PRO A 21 1.680 12.404 16.842 1.00 4.03 H new ATOM 0 HB2 PRO A 21 1.326 15.434 16.982 1.00 40.43 H new ATOM 0 HB3 PRO A 21 2.817 14.537 16.773 1.00 40.43 H new ATOM 0 HG2 PRO A 21 1.742 15.774 14.683 1.00 34.34 H new ATOM 0 HG3 PRO A 21 2.441 14.181 14.471 1.00 34.34 H new ATOM 0 HD2 PRO A 21 -0.471 14.958 14.649 1.00 71.32 H new ATOM 0 HD3 PRO A 21 0.283 13.744 13.635 1.00 71.32 H new ATOM 326 N GLN A 22 -0.918 13.701 18.215 1.00 10.35 N ATOM 327 CA GLN A 22 -1.673 13.735 19.479 1.00 43.34 C ATOM 328 C GLN A 22 -2.220 12.334 19.844 1.00 64.10 C ATOM 329 O GLN A 22 -3.185 12.206 20.597 1.00 42.13 O ATOM 330 CB GLN A 22 -2.837 14.740 19.383 1.00 22.30 C ATOM 331 CG GLN A 22 -3.449 15.103 20.740 1.00 44.40 C ATOM 332 CD GLN A 22 -4.840 15.717 20.645 1.00 53.10 C ATOM 333 OE1 GLN A 22 -5.223 16.550 21.463 1.00 34.45 O ATOM 334 NE2 GLN A 22 -5.624 15.291 19.672 1.00 13.13 N ATOM 0 H GLN A 22 -1.463 13.961 17.393 1.00 10.35 H new ATOM 0 HA GLN A 22 -0.988 14.052 20.265 1.00 43.34 H new ATOM 0 HB2 GLN A 22 -2.481 15.650 18.899 1.00 22.30 H new ATOM 0 HB3 GLN A 22 -3.615 14.322 18.743 1.00 22.30 H new ATOM 0 HG2 GLN A 22 -3.500 14.205 21.356 1.00 44.40 H new ATOM 0 HG3 GLN A 22 -2.788 15.803 21.250 1.00 44.40 H new ATOM 0 HE21 GLN A 22 -5.280 14.599 19.006 1.00 13.13 H new ATOM 0 HE22 GLN A 22 -6.573 15.654 19.586 1.00 13.13 H new ATOM 343 N SER A 23 -1.612 11.290 19.280 1.00 51.50 N ATOM 344 CA SER A 23 -1.935 9.895 19.636 1.00 54.53 C ATOM 345 C SER A 23 -3.368 9.479 19.254 1.00 0.43 C ATOM 346 O SER A 23 -3.897 8.511 19.796 1.00 22.12 O ATOM 347 CB SER A 23 -1.717 9.658 21.141 1.00 61.10 C ATOM 348 OG SER A 23 -0.366 9.881 21.511 1.00 12.31 O ATOM 0 H SER A 23 -0.887 11.379 18.568 1.00 51.50 H new ATOM 0 HA SER A 23 -1.255 9.273 19.053 1.00 54.53 H new ATOM 0 HB2 SER A 23 -2.366 10.321 21.713 1.00 61.10 H new ATOM 0 HB3 SER A 23 -2.001 8.637 21.395 1.00 61.10 H new ATOM 0 HG SER A 23 -0.260 9.724 22.473 1.00 12.31 H new ATOM 354 N ASN A 24 -3.991 10.184 18.312 1.00 33.31 N ATOM 355 CA ASN A 24 -5.336 9.810 17.839 1.00 53.32 C ATOM 356 C ASN A 24 -5.289 9.299 16.389 1.00 74.35 C ATOM 357 O ASN A 24 -4.401 9.669 15.621 1.00 5.30 O ATOM 358 CB ASN A 24 -6.308 10.990 17.980 1.00 44.43 C ATOM 359 CG ASN A 24 -5.901 12.191 17.154 1.00 21.04 C ATOM 360 OD1 ASN A 24 -6.346 12.364 16.027 1.00 44.34 O ATOM 361 ND2 ASN A 24 -5.045 13.029 17.703 1.00 43.30 N ATOM 0 H ASN A 24 -3.597 11.010 17.861 1.00 33.31 H new ATOM 0 HA ASN A 24 -5.702 8.996 18.464 1.00 53.32 H new ATOM 0 HB2 ASN A 24 -7.306 10.670 17.679 1.00 44.43 H new ATOM 0 HB3 ASN A 24 -6.369 11.281 19.029 1.00 44.43 H new ATOM 0 HD21 ASN A 24 -4.734 13.852 17.186 1.00 43.30 H new ATOM 0 HD22 ASN A 24 -4.694 12.855 18.645 1.00 43.30 H new ATOM 368 N ILE A 25 -6.244 8.444 16.026 1.00 63.53 N ATOM 369 CA ILE A 25 -6.259 7.808 14.700 1.00 22.15 C ATOM 370 C ILE A 25 -6.531 8.827 13.578 1.00 11.21 C ATOM 371 O ILE A 25 -7.497 9.590 13.636 1.00 20.34 O ATOM 372 CB ILE A 25 -7.325 6.680 14.630 1.00 60.04 C ATOM 373 CG1 ILE A 25 -7.091 5.642 15.745 1.00 2.35 C ATOM 374 CG2 ILE A 25 -7.318 6.007 13.254 1.00 71.14 C ATOM 375 CD1 ILE A 25 -5.755 4.929 15.657 1.00 14.12 C ATOM 0 H ILE A 25 -7.020 8.172 16.629 1.00 63.53 H new ATOM 0 HA ILE A 25 -5.268 7.380 14.551 1.00 22.15 H new ATOM 0 HB ILE A 25 -8.306 7.130 14.781 1.00 60.04 H new ATOM 0 HG12 ILE A 25 -7.161 6.141 16.712 1.00 2.35 H new ATOM 0 HG13 ILE A 25 -7.889 4.901 15.710 1.00 2.35 H new ATOM 0 HG21 ILE A 25 -8.073 5.221 13.230 1.00 71.14 H new ATOM 0 HG22 ILE A 25 -7.540 6.747 12.486 1.00 71.14 H new ATOM 0 HG23 ILE A 25 -6.336 5.573 13.066 1.00 71.14 H new ATOM 0 HD11 ILE A 25 -5.668 4.216 16.477 1.00 14.12 H new ATOM 0 HD12 ILE A 25 -5.687 4.399 14.707 1.00 14.12 H new ATOM 0 HD13 ILE A 25 -4.948 5.659 15.724 1.00 14.12 H new ATOM 387 N ARG A 26 -5.674 8.835 12.558 1.00 72.42 N ATOM 388 CA ARG A 26 -5.842 9.734 11.408 1.00 24.11 C ATOM 389 C ARG A 26 -6.421 8.966 10.206 1.00 54.23 C ATOM 390 O ARG A 26 -7.346 9.430 9.540 1.00 11.11 O ATOM 391 CB ARG A 26 -4.478 10.352 11.038 1.00 75.03 C ATOM 392 CG ARG A 26 -4.515 11.803 10.546 1.00 33.10 C ATOM 393 CD ARG A 26 -5.214 11.986 9.201 1.00 61.13 C ATOM 394 NE ARG A 26 -6.671 12.029 9.320 1.00 41.25 N ATOM 395 CZ ARG A 26 -7.451 12.712 8.522 1.00 40.03 C ATOM 396 NH1 ARG A 26 -6.956 13.424 7.561 1.00 30.03 N1+ ATOM 397 NH2 ARG A 26 -8.730 12.700 8.697 1.00 60.43 N ATOM 0 H ARG A 26 -4.855 8.230 12.501 1.00 72.42 H new ATOM 0 HA ARG A 26 -6.539 10.529 11.674 1.00 24.11 H new ATOM 0 HB2 ARG A 26 -3.828 10.301 11.912 1.00 75.03 H new ATOM 0 HB3 ARG A 26 -4.020 9.737 10.263 1.00 75.03 H new ATOM 0 HG2 ARG A 26 -5.020 12.416 11.292 1.00 33.10 H new ATOM 0 HG3 ARG A 26 -3.493 12.175 10.466 1.00 33.10 H new ATOM 0 HD2 ARG A 26 -4.865 12.909 8.738 1.00 61.13 H new ATOM 0 HD3 ARG A 26 -4.932 11.169 8.536 1.00 61.13 H new ATOM 0 HE ARG A 26 -7.106 11.494 10.071 1.00 41.25 H new ATOM 0 HH11 ARG A 26 -5.947 13.457 7.419 1.00 30.03 H new ATOM 0 HH12 ARG A 26 -7.575 13.952 6.946 1.00 30.03 H new ATOM 0 HH21 ARG A 26 -9.135 12.157 9.459 1.00 60.43 H new ATOM 0 HH22 ARG A 26 -9.335 13.234 8.073 1.00 60.43 H new ATOM 411 N ASN A 27 -5.886 7.772 9.969 1.00 72.31 N ATOM 412 CA ASN A 27 -6.281 6.942 8.829 1.00 24.00 C ATOM 413 C ASN A 27 -6.557 5.497 9.283 1.00 61.12 C ATOM 414 O ASN A 27 -5.632 4.694 9.431 1.00 23.31 O ATOM 415 CB ASN A 27 -5.167 6.977 7.771 1.00 23.23 C ATOM 416 CG ASN A 27 -5.557 6.329 6.452 1.00 52.42 C ATOM 417 OD1 ASN A 27 -6.352 5.394 6.401 1.00 53.40 O ATOM 418 ND2 ASN A 27 -4.983 6.811 5.371 1.00 52.50 N ATOM 0 H ASN A 27 -5.168 7.351 10.558 1.00 72.31 H new ATOM 0 HA ASN A 27 -7.200 7.335 8.395 1.00 24.00 H new ATOM 0 HB2 ASN A 27 -4.885 8.014 7.587 1.00 23.23 H new ATOM 0 HB3 ASN A 27 -4.286 6.472 8.167 1.00 23.23 H new ATOM 0 HD21 ASN A 27 -5.194 6.407 4.458 1.00 52.50 H new ATOM 0 HD22 ASN A 27 -4.327 7.588 5.445 1.00 52.50 H new ATOM 425 N MET A 28 -7.830 5.177 9.519 1.00 71.14 N ATOM 426 CA MET A 28 -8.222 3.845 9.995 1.00 42.03 C ATOM 427 C MET A 28 -7.870 2.753 8.971 1.00 3.32 C ATOM 428 O MET A 28 -7.448 1.658 9.337 1.00 70.23 O ATOM 429 CB MET A 28 -9.727 3.809 10.317 1.00 11.23 C ATOM 430 CG MET A 28 -10.204 2.469 10.873 1.00 43.34 C ATOM 431 SD MET A 28 -11.953 2.473 11.325 1.00 30.43 S ATOM 432 CE MET A 28 -12.727 2.768 9.735 1.00 33.52 C ATOM 0 H MET A 28 -8.610 5.821 9.389 1.00 71.14 H new ATOM 0 HA MET A 28 -7.660 3.642 10.907 1.00 42.03 H new ATOM 0 HB2 MET A 28 -9.954 4.593 11.039 1.00 11.23 H new ATOM 0 HB3 MET A 28 -10.289 4.037 9.411 1.00 11.23 H new ATOM 0 HG2 MET A 28 -10.028 1.691 10.130 1.00 43.34 H new ATOM 0 HG3 MET A 28 -9.609 2.213 11.750 1.00 43.34 H new ATOM 0 HE1 MET A 28 -13.790 2.535 9.799 1.00 33.52 H new ATOM 0 HE2 MET A 28 -12.601 3.814 9.457 1.00 33.52 H new ATOM 0 HE3 MET A 28 -12.262 2.134 8.980 1.00 33.52 H new ATOM 442 N VAL A 29 -8.030 3.060 7.689 1.00 60.04 N ATOM 443 CA VAL A 29 -7.683 2.113 6.621 1.00 25.23 C ATOM 444 C VAL A 29 -6.193 1.728 6.678 1.00 31.32 C ATOM 445 O VAL A 29 -5.829 0.568 6.476 1.00 25.24 O ATOM 446 CB VAL A 29 -8.013 2.700 5.227 1.00 33.21 C ATOM 447 CG1 VAL A 29 -7.716 1.687 4.119 1.00 30.23 C ATOM 448 CG2 VAL A 29 -9.470 3.157 5.173 1.00 42.02 C ATOM 0 H VAL A 29 -8.396 3.953 7.358 1.00 60.04 H new ATOM 0 HA VAL A 29 -8.283 1.217 6.779 1.00 25.23 H new ATOM 0 HB VAL A 29 -7.374 3.568 5.062 1.00 33.21 H new ATOM 0 HG11 VAL A 29 -7.957 2.126 3.151 1.00 30.23 H new ATOM 0 HG12 VAL A 29 -6.659 1.420 4.144 1.00 30.23 H new ATOM 0 HG13 VAL A 29 -8.320 0.793 4.272 1.00 30.23 H new ATOM 0 HG21 VAL A 29 -9.686 3.567 4.187 1.00 42.02 H new ATOM 0 HG22 VAL A 29 -10.125 2.307 5.364 1.00 42.02 H new ATOM 0 HG23 VAL A 29 -9.639 3.923 5.930 1.00 42.02 H new ATOM 458 N ALA A 30 -5.340 2.706 6.979 1.00 51.33 N ATOM 459 CA ALA A 30 -3.893 2.476 7.066 1.00 21.22 C ATOM 460 C ALA A 30 -3.525 1.599 8.275 1.00 71.42 C ATOM 461 O ALA A 30 -2.711 0.678 8.159 1.00 51.43 O ATOM 462 CB ALA A 30 -3.151 3.806 7.126 1.00 32.23 C ATOM 0 H ALA A 30 -5.623 3.668 7.167 1.00 51.33 H new ATOM 0 HA ALA A 30 -3.589 1.938 6.168 1.00 21.22 H new ATOM 0 HB1 ALA A 30 -2.079 3.622 7.190 1.00 32.23 H new ATOM 0 HB2 ALA A 30 -3.367 4.384 6.227 1.00 32.23 H new ATOM 0 HB3 ALA A 30 -3.476 4.365 8.003 1.00 32.23 H new ATOM 468 N VAL A 31 -4.121 1.886 9.437 1.00 42.44 N ATOM 469 CA VAL A 31 -3.863 1.093 10.648 1.00 73.21 C ATOM 470 C VAL A 31 -4.350 -0.358 10.482 1.00 4.51 C ATOM 471 O VAL A 31 -3.708 -1.292 10.959 1.00 42.21 O ATOM 472 CB VAL A 31 -4.483 1.723 11.930 1.00 3.43 C ATOM 473 CG1 VAL A 31 -3.994 3.159 12.118 1.00 74.00 C ATOM 474 CG2 VAL A 31 -6.009 1.663 11.912 1.00 14.02 C ATOM 0 H VAL A 31 -4.780 2.654 9.567 1.00 42.44 H new ATOM 0 HA VAL A 31 -2.781 1.091 10.780 1.00 73.21 H new ATOM 0 HB VAL A 31 -4.147 1.131 12.781 1.00 3.43 H new ATOM 0 HG11 VAL A 31 -4.439 3.580 13.019 1.00 74.00 H new ATOM 0 HG12 VAL A 31 -2.908 3.164 12.213 1.00 74.00 H new ATOM 0 HG13 VAL A 31 -4.285 3.758 11.255 1.00 74.00 H new ATOM 0 HG21 VAL A 31 -6.402 2.113 12.824 1.00 14.02 H new ATOM 0 HG22 VAL A 31 -6.384 2.210 11.047 1.00 14.02 H new ATOM 0 HG23 VAL A 31 -6.332 0.624 11.852 1.00 14.02 H new ATOM 484 N LEU A 32 -5.486 -0.545 9.803 1.00 3.24 N ATOM 485 CA LEU A 32 -6.016 -1.892 9.540 1.00 64.50 C ATOM 486 C LEU A 32 -4.978 -2.780 8.828 1.00 72.13 C ATOM 487 O LEU A 32 -4.856 -3.969 9.137 1.00 22.32 O ATOM 488 CB LEU A 32 -7.302 -1.817 8.701 1.00 52.04 C ATOM 489 CG LEU A 32 -8.520 -1.204 9.413 1.00 64.24 C ATOM 490 CD1 LEU A 32 -9.710 -1.098 8.460 1.00 4.11 C ATOM 491 CD2 LEU A 32 -8.891 -2.019 10.650 1.00 31.41 C ATOM 0 H LEU A 32 -6.055 0.213 9.426 1.00 3.24 H new ATOM 0 HA LEU A 32 -6.246 -2.343 10.505 1.00 64.50 H new ATOM 0 HB2 LEU A 32 -7.096 -1.234 7.803 1.00 52.04 H new ATOM 0 HB3 LEU A 32 -7.562 -2.824 8.375 1.00 52.04 H new ATOM 0 HG LEU A 32 -8.252 -0.198 9.735 1.00 64.24 H new ATOM 0 HD11 LEU A 32 -10.559 -0.662 8.986 1.00 4.11 H new ATOM 0 HD12 LEU A 32 -9.443 -0.465 7.614 1.00 4.11 H new ATOM 0 HD13 LEU A 32 -9.977 -2.091 8.100 1.00 4.11 H new ATOM 0 HD21 LEU A 32 -9.755 -1.567 11.138 1.00 31.41 H new ATOM 0 HD22 LEU A 32 -9.134 -3.040 10.354 1.00 31.41 H new ATOM 0 HD23 LEU A 32 -8.049 -2.033 11.343 1.00 31.41 H new ATOM 503 N GLU A 33 -4.236 -2.198 7.882 1.00 11.03 N ATOM 504 CA GLU A 33 -3.139 -2.914 7.212 1.00 42.52 C ATOM 505 C GLU A 33 -1.998 -3.234 8.186 1.00 20.44 C ATOM 506 O GLU A 33 -1.336 -4.265 8.064 1.00 75.21 O ATOM 507 CB GLU A 33 -2.604 -2.113 6.012 1.00 14.41 C ATOM 508 CG GLU A 33 -3.449 -2.263 4.750 1.00 34.51 C ATOM 509 CD GLU A 33 -3.511 -3.706 4.258 1.00 64.43 C ATOM 510 OE1 GLU A 33 -4.510 -4.404 4.554 1.00 73.30 O ATOM 511 OE2 GLU A 33 -2.564 -4.152 3.581 1.00 11.43 O1- ATOM 0 H GLU A 33 -4.371 -1.239 7.562 1.00 11.03 H new ATOM 0 HA GLU A 33 -3.547 -3.856 6.846 1.00 42.52 H new ATOM 0 HB2 GLU A 33 -2.555 -1.058 6.283 1.00 14.41 H new ATOM 0 HB3 GLU A 33 -1.585 -2.434 5.797 1.00 14.41 H new ATOM 0 HG2 GLU A 33 -4.460 -1.906 4.949 1.00 34.51 H new ATOM 0 HG3 GLU A 33 -3.037 -1.631 3.963 1.00 34.51 H new ATOM 518 N VAL A 34 -1.763 -2.346 9.149 1.00 62.23 N ATOM 519 CA VAL A 34 -0.773 -2.603 10.197 1.00 32.32 C ATOM 520 C VAL A 34 -1.166 -3.840 11.021 1.00 34.04 C ATOM 521 O VAL A 34 -0.365 -4.753 11.210 1.00 62.21 O ATOM 522 CB VAL A 34 -0.606 -1.382 11.139 1.00 12.44 C ATOM 523 CG1 VAL A 34 0.370 -1.695 12.271 1.00 44.53 C ATOM 524 CG2 VAL A 34 -0.152 -0.150 10.353 1.00 65.23 C ATOM 0 H VAL A 34 -2.240 -1.448 9.227 1.00 62.23 H new ATOM 0 HA VAL A 34 0.181 -2.786 9.702 1.00 32.32 H new ATOM 0 HB VAL A 34 -1.577 -1.163 11.584 1.00 12.44 H new ATOM 0 HG11 VAL A 34 0.470 -0.823 12.917 1.00 44.53 H new ATOM 0 HG12 VAL A 34 -0.006 -2.537 12.853 1.00 44.53 H new ATOM 0 HG13 VAL A 34 1.344 -1.949 11.852 1.00 44.53 H new ATOM 0 HG21 VAL A 34 -0.041 0.695 11.033 1.00 65.23 H new ATOM 0 HG22 VAL A 34 0.804 -0.357 9.872 1.00 65.23 H new ATOM 0 HG23 VAL A 34 -0.895 0.091 9.593 1.00 65.23 H new ATOM 534 N ILE A 35 -2.414 -3.874 11.488 1.00 41.10 N ATOM 535 CA ILE A 35 -2.928 -5.032 12.235 1.00 34.44 C ATOM 536 C ILE A 35 -2.873 -6.315 11.386 1.00 14.12 C ATOM 537 O ILE A 35 -2.349 -7.337 11.830 1.00 21.23 O ATOM 538 CB ILE A 35 -4.386 -4.798 12.742 1.00 63.01 C ATOM 539 CG1 ILE A 35 -4.404 -3.872 13.977 1.00 33.43 C ATOM 540 CG2 ILE A 35 -5.077 -6.125 13.069 1.00 73.45 C ATOM 541 CD1 ILE A 35 -3.890 -2.468 13.727 1.00 52.24 C ATOM 0 H ILE A 35 -3.089 -3.119 11.365 1.00 41.10 H new ATOM 0 HA ILE A 35 -2.280 -5.155 13.103 1.00 34.44 H new ATOM 0 HB ILE A 35 -4.936 -4.311 11.937 1.00 63.01 H new ATOM 0 HG12 ILE A 35 -5.426 -3.808 14.351 1.00 33.43 H new ATOM 0 HG13 ILE A 35 -3.804 -4.328 14.764 1.00 33.43 H new ATOM 0 HG21 ILE A 35 -6.091 -5.931 13.420 1.00 73.45 H new ATOM 0 HG22 ILE A 35 -5.115 -6.746 12.174 1.00 73.45 H new ATOM 0 HG23 ILE A 35 -4.517 -6.645 13.847 1.00 73.45 H new ATOM 0 HD11 ILE A 35 -3.941 -1.892 14.651 1.00 52.24 H new ATOM 0 HD12 ILE A 35 -2.856 -2.515 13.385 1.00 52.24 H new ATOM 0 HD13 ILE A 35 -4.503 -1.986 12.965 1.00 52.24 H new ATOM 553 N SER A 36 -3.392 -6.247 10.156 1.00 50.32 N ATOM 554 CA SER A 36 -3.424 -7.413 9.257 1.00 13.34 C ATOM 555 C SER A 36 -2.010 -7.950 8.994 1.00 72.32 C ATOM 556 O SER A 36 -1.795 -9.164 8.930 1.00 70.21 O ATOM 557 CB SER A 36 -4.095 -7.056 7.921 1.00 4.50 C ATOM 558 OG SER A 36 -3.361 -6.063 7.223 1.00 64.42 O ATOM 0 H SER A 36 -3.796 -5.400 9.757 1.00 50.32 H new ATOM 0 HA SER A 36 -4.007 -8.189 9.752 1.00 13.34 H new ATOM 0 HB2 SER A 36 -4.179 -7.950 7.304 1.00 4.50 H new ATOM 0 HB3 SER A 36 -5.109 -6.700 8.105 1.00 4.50 H new ATOM 0 HG SER A 36 -2.746 -5.615 7.841 1.00 64.42 H new ATOM 564 N SER A 37 -1.052 -7.035 8.842 1.00 40.12 N ATOM 565 CA SER A 37 0.363 -7.398 8.677 1.00 4.34 C ATOM 566 C SER A 37 0.940 -8.031 9.950 1.00 33.22 C ATOM 567 O SER A 37 1.585 -9.075 9.886 1.00 10.43 O ATOM 568 CB SER A 37 1.197 -6.166 8.291 1.00 64.22 C ATOM 569 OG SER A 37 0.843 -5.690 7.003 1.00 72.12 O ATOM 0 H SER A 37 -1.228 -6.030 8.829 1.00 40.12 H new ATOM 0 HA SER A 37 0.414 -8.135 7.876 1.00 4.34 H new ATOM 0 HB2 SER A 37 1.047 -5.377 9.027 1.00 64.22 H new ATOM 0 HB3 SER A 37 2.257 -6.421 8.309 1.00 64.22 H new ATOM 0 HG SER A 37 0.049 -5.120 7.072 1.00 72.12 H new ATOM 575 N LEU A 38 0.701 -7.403 11.100 1.00 75.05 N ATOM 576 CA LEU A 38 1.204 -7.907 12.389 1.00 15.41 C ATOM 577 C LEU A 38 0.647 -9.303 12.723 1.00 74.43 C ATOM 578 O LEU A 38 1.312 -10.097 13.388 1.00 21.13 O ATOM 579 CB LEU A 38 0.885 -6.915 13.523 1.00 51.24 C ATOM 580 CG LEU A 38 1.977 -5.861 13.809 1.00 33.53 C ATOM 581 CD1 LEU A 38 2.330 -5.063 12.556 1.00 63.23 C ATOM 582 CD2 LEU A 38 1.542 -4.924 14.938 1.00 72.20 C ATOM 0 H LEU A 38 0.161 -6.541 11.171 1.00 75.05 H new ATOM 0 HA LEU A 38 2.286 -8.002 12.296 1.00 15.41 H new ATOM 0 HB2 LEU A 38 -0.042 -6.396 13.278 1.00 51.24 H new ATOM 0 HB3 LEU A 38 0.702 -7.481 14.437 1.00 51.24 H new ATOM 0 HG LEU A 38 2.873 -6.395 14.125 1.00 33.53 H new ATOM 0 HD11 LEU A 38 3.101 -4.331 12.796 1.00 63.23 H new ATOM 0 HD12 LEU A 38 2.699 -5.740 11.785 1.00 63.23 H new ATOM 0 HD13 LEU A 38 1.442 -4.547 12.191 1.00 63.23 H new ATOM 0 HD21 LEU A 38 2.326 -4.189 15.123 1.00 72.20 H new ATOM 0 HD22 LEU A 38 0.624 -4.411 14.652 1.00 72.20 H new ATOM 0 HD23 LEU A 38 1.366 -5.503 15.844 1.00 72.20 H new ATOM 594 N GLU A 39 -0.569 -9.599 12.267 1.00 10.53 N ATOM 595 CA GLU A 39 -1.137 -10.945 12.417 1.00 61.12 C ATOM 596 C GLU A 39 -0.305 -11.986 11.649 1.00 4.22 C ATOM 597 O GLU A 39 -0.243 -13.156 12.030 1.00 12.51 O ATOM 598 CB GLU A 39 -2.585 -10.985 11.909 1.00 52.15 C ATOM 599 CG GLU A 39 -3.553 -10.085 12.669 1.00 15.42 C ATOM 600 CD GLU A 39 -4.977 -10.195 12.140 1.00 2.24 C ATOM 601 OE1 GLU A 39 -5.268 -9.616 11.072 1.00 72.13 O ATOM 602 OE2 GLU A 39 -5.803 -10.885 12.776 1.00 24.22 O1- ATOM 0 H GLU A 39 -1.179 -8.933 11.793 1.00 10.53 H new ATOM 0 HA GLU A 39 -1.119 -11.188 13.479 1.00 61.12 H new ATOM 0 HB2 GLU A 39 -2.594 -10.699 10.857 1.00 52.15 H new ATOM 0 HB3 GLU A 39 -2.946 -12.012 11.964 1.00 52.15 H new ATOM 0 HG2 GLU A 39 -3.539 -10.350 13.726 1.00 15.42 H new ATOM 0 HG3 GLU A 39 -3.219 -9.050 12.595 1.00 15.42 H new ATOM 609 N LYS A 40 0.315 -11.549 10.552 1.00 64.50 N ATOM 610 CA LYS A 40 1.127 -12.431 9.707 1.00 75.11 C ATOM 611 C LYS A 40 2.628 -12.311 10.039 1.00 30.13 C ATOM 612 O LYS A 40 3.418 -13.203 9.725 1.00 53.33 O ATOM 613 CB LYS A 40 0.874 -12.079 8.231 1.00 13.22 C ATOM 614 CG LYS A 40 -0.601 -12.155 7.836 1.00 15.32 C ATOM 615 CD LYS A 40 -0.842 -11.748 6.380 1.00 30.21 C ATOM 616 CE LYS A 40 -0.515 -10.278 6.119 1.00 2.52 C ATOM 617 NZ LYS A 40 -0.861 -9.864 4.730 1.00 33.11 N1+ ATOM 0 H LYS A 40 0.271 -10.584 10.225 1.00 64.50 H new ATOM 0 HA LYS A 40 0.836 -13.464 9.898 1.00 75.11 H new ATOM 0 HB2 LYS A 40 1.244 -11.072 8.036 1.00 13.22 H new ATOM 0 HB3 LYS A 40 1.448 -12.757 7.599 1.00 13.22 H new ATOM 0 HG2 LYS A 40 -0.963 -13.172 7.990 1.00 15.32 H new ATOM 0 HG3 LYS A 40 -1.183 -11.507 8.492 1.00 15.32 H new ATOM 0 HD2 LYS A 40 -0.234 -12.373 5.726 1.00 30.21 H new ATOM 0 HD3 LYS A 40 -1.884 -11.936 6.122 1.00 30.21 H new ATOM 0 HE2 LYS A 40 -1.059 -9.655 6.829 1.00 2.52 H new ATOM 0 HE3 LYS A 40 0.547 -10.107 6.294 1.00 2.52 H new ATOM 0 HZ1 LYS A 40 -0.623 -8.860 4.597 1.00 33.11 H new ATOM 0 HZ2 LYS A 40 -0.323 -10.440 4.052 1.00 33.11 H new ATOM 0 HZ3 LYS A 40 -1.879 -10.002 4.570 1.00 33.11 H new ATOM 631 N TYR A 41 3.008 -11.195 10.660 1.00 31.44 N ATOM 632 CA TYR A 41 4.389 -10.958 11.111 1.00 25.35 C ATOM 633 C TYR A 41 4.409 -10.274 12.493 1.00 14.51 C ATOM 634 O TYR A 41 4.187 -9.067 12.591 1.00 45.41 O ATOM 635 CB TYR A 41 5.156 -10.091 10.096 1.00 21.33 C ATOM 636 CG TYR A 41 5.646 -10.836 8.865 1.00 1.23 C ATOM 637 CD1 TYR A 41 6.882 -11.477 8.866 1.00 72.40 C ATOM 638 CD2 TYR A 41 4.884 -10.891 7.701 1.00 13.32 C ATOM 639 CE1 TYR A 41 7.343 -12.146 7.750 1.00 23.40 C ATOM 640 CE2 TYR A 41 5.340 -11.562 6.580 1.00 4.32 C ATOM 641 CZ TYR A 41 6.570 -12.188 6.611 1.00 71.11 C ATOM 642 OH TYR A 41 7.033 -12.857 5.498 1.00 72.00 O ATOM 0 H TYR A 41 2.371 -10.426 10.867 1.00 31.44 H new ATOM 0 HA TYR A 41 4.879 -11.928 11.191 1.00 25.35 H new ATOM 0 HB2 TYR A 41 4.510 -9.274 9.776 1.00 21.33 H new ATOM 0 HB3 TYR A 41 6.013 -9.642 10.597 1.00 21.33 H new ATOM 0 HD1 TYR A 41 7.492 -11.450 9.757 1.00 72.40 H new ATOM 0 HD2 TYR A 41 3.921 -10.402 7.673 1.00 13.32 H new ATOM 0 HE1 TYR A 41 8.306 -12.635 7.770 1.00 23.40 H new ATOM 0 HE2 TYR A 41 4.736 -11.596 5.685 1.00 4.32 H new ATOM 0 HH TYR A 41 6.370 -12.794 4.779 1.00 72.00 H new ATOM 652 N PRO A 42 4.668 -11.027 13.579 1.00 21.05 N ATOM 653 CA PRO A 42 4.735 -10.452 14.933 1.00 53.54 C ATOM 654 C PRO A 42 6.037 -9.666 15.183 1.00 61.12 C ATOM 655 O PRO A 42 7.114 -10.054 14.726 1.00 15.21 O ATOM 656 CB PRO A 42 4.659 -11.689 15.833 1.00 3.43 C ATOM 657 CG PRO A 42 5.280 -12.773 15.020 1.00 73.23 C ATOM 658 CD PRO A 42 4.909 -12.484 13.585 1.00 32.42 C ATOM 0 HA PRO A 42 3.943 -9.725 15.112 1.00 53.54 H new ATOM 0 HB2 PRO A 42 5.197 -11.535 16.768 1.00 3.43 H new ATOM 0 HB3 PRO A 42 3.628 -11.928 16.094 1.00 3.43 H new ATOM 0 HG2 PRO A 42 6.362 -12.785 15.148 1.00 73.23 H new ATOM 0 HG3 PRO A 42 4.912 -13.751 15.328 1.00 73.23 H new ATOM 0 HD2 PRO A 42 5.710 -12.761 12.900 1.00 32.42 H new ATOM 0 HD3 PRO A 42 4.022 -13.039 13.280 1.00 32.42 H new ATOM 666 N ILE A 43 5.930 -8.558 15.916 1.00 0.52 N ATOM 667 CA ILE A 43 7.090 -7.711 16.215 1.00 11.11 C ATOM 668 C ILE A 43 7.968 -8.327 17.322 1.00 21.34 C ATOM 669 O ILE A 43 7.506 -8.563 18.439 1.00 55.30 O ATOM 670 CB ILE A 43 6.642 -6.286 16.631 1.00 5.25 C ATOM 671 CG1 ILE A 43 5.885 -5.607 15.472 1.00 31.32 C ATOM 672 CG2 ILE A 43 7.838 -5.442 17.071 1.00 74.04 C ATOM 673 CD1 ILE A 43 5.388 -4.212 15.793 1.00 52.54 C ATOM 0 H ILE A 43 5.053 -8.224 16.315 1.00 0.52 H new ATOM 0 HA ILE A 43 7.684 -7.643 15.304 1.00 11.11 H new ATOM 0 HB ILE A 43 5.967 -6.372 17.483 1.00 5.25 H new ATOM 0 HG12 ILE A 43 6.541 -5.557 14.603 1.00 31.32 H new ATOM 0 HG13 ILE A 43 5.035 -6.229 15.193 1.00 31.32 H new ATOM 0 HG21 ILE A 43 7.496 -4.448 17.357 1.00 74.04 H new ATOM 0 HG22 ILE A 43 8.325 -5.917 17.922 1.00 74.04 H new ATOM 0 HG23 ILE A 43 8.547 -5.358 16.247 1.00 74.04 H new ATOM 0 HD11 ILE A 43 4.867 -3.803 14.927 1.00 52.54 H new ATOM 0 HD12 ILE A 43 4.705 -4.255 16.641 1.00 52.54 H new ATOM 0 HD13 ILE A 43 6.235 -3.572 16.042 1.00 52.54 H new ATOM 685 N THR A 44 9.237 -8.579 16.997 1.00 21.14 N ATOM 686 CA THR A 44 10.182 -9.202 17.939 1.00 73.30 C ATOM 687 C THR A 44 10.605 -8.225 19.055 1.00 21.10 C ATOM 688 O THR A 44 10.536 -7.006 18.885 1.00 54.32 O ATOM 689 CB THR A 44 11.454 -9.694 17.191 1.00 63.24 C ATOM 690 OG1 THR A 44 11.079 -10.442 16.026 1.00 54.22 O ATOM 691 CG2 THR A 44 12.331 -10.568 18.087 1.00 1.45 C ATOM 0 H THR A 44 9.640 -8.362 16.086 1.00 21.14 H new ATOM 0 HA THR A 44 9.667 -10.049 18.393 1.00 73.30 H new ATOM 0 HB THR A 44 12.027 -8.813 16.902 1.00 63.24 H new ATOM 0 HG1 THR A 44 11.885 -10.747 15.559 1.00 54.22 H new ATOM 0 HG21 THR A 44 13.210 -10.893 17.530 1.00 1.45 H new ATOM 0 HG22 THR A 44 12.645 -9.995 18.959 1.00 1.45 H new ATOM 0 HG23 THR A 44 11.764 -11.441 18.411 1.00 1.45 H new ATOM 699 N LYS A 45 11.089 -8.772 20.178 1.00 31.14 N ATOM 700 CA LYS A 45 11.514 -7.966 21.339 1.00 51.52 C ATOM 701 C LYS A 45 12.551 -6.893 20.958 1.00 51.23 C ATOM 702 O LYS A 45 12.627 -5.837 21.589 1.00 3.02 O ATOM 703 CB LYS A 45 12.116 -8.879 22.420 1.00 5.25 C ATOM 704 CG LYS A 45 13.265 -9.757 21.915 1.00 51.34 C ATOM 705 CD LYS A 45 13.984 -10.485 23.051 1.00 2.03 C ATOM 706 CE LYS A 45 14.856 -9.543 23.879 1.00 3.40 C ATOM 707 NZ LYS A 45 16.001 -8.997 23.094 1.00 15.35 N1+ ATOM 0 H LYS A 45 11.198 -9.777 20.311 1.00 31.14 H new ATOM 0 HA LYS A 45 10.626 -7.460 21.717 1.00 51.52 H new ATOM 0 HB2 LYS A 45 12.476 -8.263 23.244 1.00 5.25 H new ATOM 0 HB3 LYS A 45 11.330 -9.519 22.821 1.00 5.25 H new ATOM 0 HG2 LYS A 45 12.876 -10.489 21.207 1.00 51.34 H new ATOM 0 HG3 LYS A 45 13.980 -9.138 21.373 1.00 51.34 H new ATOM 0 HD2 LYS A 45 13.248 -10.960 23.699 1.00 2.03 H new ATOM 0 HD3 LYS A 45 14.603 -11.280 22.636 1.00 2.03 H new ATOM 0 HE2 LYS A 45 14.247 -8.719 24.250 1.00 3.40 H new ATOM 0 HE3 LYS A 45 15.237 -10.075 24.751 1.00 3.40 H new ATOM 0 HZ1 LYS A 45 16.895 -9.260 23.556 1.00 15.35 H new ATOM 0 HZ2 LYS A 45 15.980 -9.389 22.131 1.00 15.35 H new ATOM 0 HZ3 LYS A 45 15.927 -7.961 23.047 1.00 15.35 H new ATOM 721 N GLU A 46 13.328 -7.174 19.913 1.00 75.34 N ATOM 722 CA GLU A 46 14.403 -6.279 19.465 1.00 15.10 C ATOM 723 C GLU A 46 13.869 -4.873 19.157 1.00 13.03 C ATOM 724 O GLU A 46 14.445 -3.866 19.570 1.00 63.43 O ATOM 725 CB GLU A 46 15.070 -6.860 18.208 1.00 23.02 C ATOM 726 CG GLU A 46 15.521 -8.312 18.349 1.00 40.45 C ATOM 727 CD GLU A 46 16.540 -8.512 19.460 1.00 71.22 C ATOM 728 OE1 GLU A 46 17.688 -8.046 19.303 1.00 45.21 O ATOM 729 OE2 GLU A 46 16.200 -9.143 20.485 1.00 10.32 O1- ATOM 0 H GLU A 46 13.234 -8.022 19.354 1.00 75.34 H new ATOM 0 HA GLU A 46 15.132 -6.198 20.271 1.00 15.10 H new ATOM 0 HB2 GLU A 46 14.371 -6.788 17.374 1.00 23.02 H new ATOM 0 HB3 GLU A 46 15.934 -6.247 17.953 1.00 23.02 H new ATOM 0 HG2 GLU A 46 14.651 -8.940 18.544 1.00 40.45 H new ATOM 0 HG3 GLU A 46 15.951 -8.647 17.405 1.00 40.45 H new ATOM 736 N ALA A 47 12.752 -4.821 18.442 1.00 44.03 N ATOM 737 CA ALA A 47 12.137 -3.553 18.054 1.00 51.15 C ATOM 738 C ALA A 47 11.584 -2.787 19.266 1.00 45.43 C ATOM 739 O ALA A 47 11.602 -1.557 19.294 1.00 73.24 O ATOM 740 CB ALA A 47 11.038 -3.800 17.035 1.00 72.41 C ATOM 0 H ALA A 47 12.249 -5.647 18.116 1.00 44.03 H new ATOM 0 HA ALA A 47 12.912 -2.931 17.606 1.00 51.15 H new ATOM 0 HB1 ALA A 47 10.585 -2.850 16.751 1.00 72.41 H new ATOM 0 HB2 ALA A 47 11.461 -4.278 16.152 1.00 72.41 H new ATOM 0 HB3 ALA A 47 10.278 -4.449 17.470 1.00 72.41 H new ATOM 746 N LEU A 48 11.085 -3.511 20.266 1.00 44.12 N ATOM 747 CA LEU A 48 10.520 -2.868 21.457 1.00 15.01 C ATOM 748 C LEU A 48 11.588 -2.090 22.242 1.00 40.53 C ATOM 749 O LEU A 48 11.356 -0.949 22.642 1.00 62.10 O ATOM 750 CB LEU A 48 9.845 -3.899 22.375 1.00 11.52 C ATOM 751 CG LEU A 48 8.476 -4.428 21.905 1.00 41.01 C ATOM 752 CD1 LEU A 48 8.601 -5.226 20.611 1.00 1.40 C ATOM 753 CD2 LEU A 48 7.826 -5.272 22.998 1.00 1.43 C ATOM 0 H LEU A 48 11.059 -4.531 20.279 1.00 44.12 H new ATOM 0 HA LEU A 48 9.768 -2.160 21.109 1.00 15.01 H new ATOM 0 HB2 LEU A 48 10.519 -4.747 22.493 1.00 11.52 H new ATOM 0 HB3 LEU A 48 9.720 -3.451 23.361 1.00 11.52 H new ATOM 0 HG LEU A 48 7.837 -3.568 21.702 1.00 41.01 H new ATOM 0 HD11 LEU A 48 7.617 -5.584 20.308 1.00 1.40 H new ATOM 0 HD12 LEU A 48 9.012 -4.588 19.828 1.00 1.40 H new ATOM 0 HD13 LEU A 48 9.263 -6.077 20.771 1.00 1.40 H new ATOM 0 HD21 LEU A 48 6.860 -5.638 22.649 1.00 1.43 H new ATOM 0 HD22 LEU A 48 8.470 -6.119 23.235 1.00 1.43 H new ATOM 0 HD23 LEU A 48 7.683 -4.663 23.891 1.00 1.43 H new ATOM 765 N GLU A 49 12.748 -2.707 22.469 1.00 34.34 N ATOM 766 CA GLU A 49 13.864 -2.027 23.146 1.00 40.25 C ATOM 767 C GLU A 49 14.571 -0.999 22.238 1.00 53.52 C ATOM 768 O GLU A 49 14.789 0.148 22.633 1.00 52.24 O ATOM 769 CB GLU A 49 14.882 -3.055 23.664 1.00 44.15 C ATOM 770 CG GLU A 49 14.369 -3.909 24.822 1.00 24.25 C ATOM 771 CD GLU A 49 15.440 -4.825 25.397 1.00 15.52 C ATOM 772 OE1 GLU A 49 16.343 -4.320 26.106 1.00 54.42 O ATOM 773 OE2 GLU A 49 15.384 -6.049 25.151 1.00 42.20 O1- ATOM 0 H GLU A 49 12.944 -3.671 22.198 1.00 34.34 H new ATOM 0 HA GLU A 49 13.436 -1.479 23.985 1.00 40.25 H new ATOM 0 HB2 GLU A 49 15.171 -3.711 22.843 1.00 44.15 H new ATOM 0 HB3 GLU A 49 15.782 -2.530 23.984 1.00 44.15 H new ATOM 0 HG2 GLU A 49 13.993 -3.257 25.610 1.00 24.25 H new ATOM 0 HG3 GLU A 49 13.528 -4.511 24.479 1.00 24.25 H new ATOM 780 N GLU A 50 14.908 -1.410 21.015 1.00 52.23 N ATOM 781 CA GLU A 50 15.713 -0.575 20.106 1.00 21.42 C ATOM 782 C GLU A 50 14.869 0.498 19.398 1.00 63.10 C ATOM 783 O GLU A 50 15.190 1.690 19.439 1.00 34.15 O ATOM 784 CB GLU A 50 16.411 -1.459 19.062 1.00 22.20 C ATOM 785 CG GLU A 50 17.342 -0.699 18.118 1.00 20.35 C ATOM 786 CD GLU A 50 18.606 -0.187 18.799 1.00 23.15 C ATOM 787 OE1 GLU A 50 18.542 0.843 19.503 1.00 1.43 O ATOM 788 OE2 GLU A 50 19.678 -0.800 18.609 1.00 22.42 O1- ATOM 0 H GLU A 50 14.639 -2.314 20.626 1.00 52.23 H new ATOM 0 HA GLU A 50 16.457 -0.059 20.713 1.00 21.42 H new ATOM 0 HB2 GLU A 50 16.985 -2.228 19.579 1.00 22.20 H new ATOM 0 HB3 GLU A 50 15.652 -1.971 18.471 1.00 22.20 H new ATOM 0 HG2 GLU A 50 17.622 -1.352 17.292 1.00 20.35 H new ATOM 0 HG3 GLU A 50 16.802 0.145 17.688 1.00 20.35 H new ATOM 795 N THR A 51 13.793 0.070 18.740 1.00 22.54 N ATOM 796 CA THR A 51 12.887 0.998 18.041 1.00 24.42 C ATOM 797 C THR A 51 11.878 1.617 19.028 1.00 72.34 C ATOM 798 O THR A 51 10.977 2.361 18.639 1.00 1.12 O ATOM 799 CB THR A 51 12.124 0.276 16.894 1.00 73.43 C ATOM 800 OG1 THR A 51 13.026 -0.559 16.148 1.00 71.22 O ATOM 801 CG2 THR A 51 11.462 1.276 15.944 1.00 24.40 C ATOM 0 H THR A 51 13.522 -0.911 18.673 1.00 22.54 H new ATOM 0 HA THR A 51 13.495 1.792 17.608 1.00 24.42 H new ATOM 0 HB THR A 51 11.345 -0.334 17.351 1.00 73.43 H new ATOM 0 HG1 THR A 51 12.536 -1.010 15.430 1.00 71.22 H new ATOM 0 HG21 THR A 51 10.938 0.736 15.155 1.00 24.40 H new ATOM 0 HG22 THR A 51 10.751 1.889 16.498 1.00 24.40 H new ATOM 0 HG23 THR A 51 12.225 1.916 15.501 1.00 24.40 H new ATOM 809 N ARG A 52 12.047 1.286 20.313 1.00 71.22 N ATOM 810 CA ARG A 52 11.226 1.827 21.410 1.00 60.12 C ATOM 811 C ARG A 52 9.729 1.525 21.214 1.00 64.40 C ATOM 812 O ARG A 52 8.869 2.354 21.522 1.00 24.11 O ATOM 813 CB ARG A 52 11.450 3.341 21.567 1.00 35.22 C ATOM 814 CG ARG A 52 12.921 3.756 21.584 1.00 34.15 C ATOM 815 CD ARG A 52 13.120 5.111 22.259 1.00 64.33 C ATOM 816 NE ARG A 52 13.194 4.989 23.717 1.00 3.11 N ATOM 817 CZ ARG A 52 12.197 5.177 24.536 1.00 10.03 C ATOM 818 NH1 ARG A 52 11.022 5.492 24.100 1.00 64.22 N1+ ATOM 819 NH2 ARG A 52 12.383 5.049 25.810 1.00 33.34 N ATOM 0 H ARG A 52 12.762 0.630 20.627 1.00 71.22 H new ATOM 0 HA ARG A 52 11.546 1.327 22.324 1.00 60.12 H new ATOM 0 HB2 ARG A 52 10.947 3.858 20.750 1.00 35.22 H new ATOM 0 HB3 ARG A 52 10.979 3.673 22.492 1.00 35.22 H new ATOM 0 HG2 ARG A 52 13.506 3.000 22.107 1.00 34.15 H new ATOM 0 HG3 ARG A 52 13.298 3.800 20.562 1.00 34.15 H new ATOM 0 HD2 ARG A 52 14.035 5.571 21.886 1.00 64.33 H new ATOM 0 HD3 ARG A 52 12.297 5.774 21.991 1.00 64.33 H new ATOM 0 HE ARG A 52 14.095 4.737 24.123 1.00 3.11 H new ATOM 0 HH11 ARG A 52 10.861 5.598 23.098 1.00 64.22 H new ATOM 0 HH12 ARG A 52 10.255 5.635 24.758 1.00 64.22 H new ATOM 0 HH21 ARG A 52 13.306 4.802 26.168 1.00 33.34 H new ATOM 0 HH22 ARG A 52 11.607 5.195 26.456 1.00 33.34 H new ATOM 833 N LEU A 53 9.422 0.332 20.710 1.00 13.34 N ATOM 834 CA LEU A 53 8.029 -0.087 20.504 1.00 1.04 C ATOM 835 C LEU A 53 7.389 -0.654 21.787 1.00 4.21 C ATOM 836 O LEU A 53 6.203 -0.972 21.801 1.00 32.25 O ATOM 837 CB LEU A 53 7.936 -1.117 19.367 1.00 44.34 C ATOM 838 CG LEU A 53 8.275 -0.578 17.966 1.00 33.43 C ATOM 839 CD1 LEU A 53 8.126 -1.674 16.912 1.00 4.44 C ATOM 840 CD2 LEU A 53 7.392 0.622 17.628 1.00 62.24 C ATOM 0 H LEU A 53 10.115 -0.364 20.436 1.00 13.34 H new ATOM 0 HA LEU A 53 7.468 0.806 20.228 1.00 1.04 H new ATOM 0 HB2 LEU A 53 8.608 -1.945 19.593 1.00 44.34 H new ATOM 0 HB3 LEU A 53 6.925 -1.523 19.348 1.00 44.34 H new ATOM 0 HG LEU A 53 9.315 -0.251 17.967 1.00 33.43 H new ATOM 0 HD11 LEU A 53 8.371 -1.270 15.930 1.00 4.44 H new ATOM 0 HD12 LEU A 53 8.802 -2.497 17.145 1.00 4.44 H new ATOM 0 HD13 LEU A 53 7.099 -2.038 16.909 1.00 4.44 H new ATOM 0 HD21 LEU A 53 7.645 0.991 16.634 1.00 62.24 H new ATOM 0 HD22 LEU A 53 6.345 0.320 17.648 1.00 62.24 H new ATOM 0 HD23 LEU A 53 7.556 1.412 18.361 1.00 62.24 H new ATOM 852 N GLY A 54 8.171 -0.784 22.858 1.00 42.02 N ATOM 853 CA GLY A 54 7.622 -1.263 24.127 1.00 1.15 C ATOM 854 C GLY A 54 6.518 -0.354 24.670 1.00 42.10 C ATOM 855 O GLY A 54 5.529 -0.828 25.230 1.00 33.35 O ATOM 0 H GLY A 54 9.168 -0.569 22.875 1.00 42.02 H new ATOM 0 HA2 GLY A 54 7.225 -2.269 23.990 1.00 1.15 H new ATOM 0 HA3 GLY A 54 8.424 -1.334 24.862 1.00 1.15 H new ATOM 859 N LYS A 55 6.684 0.957 24.489 1.00 3.34 N ATOM 860 CA LYS A 55 5.657 1.937 24.864 1.00 24.11 C ATOM 861 C LYS A 55 4.330 1.661 24.130 1.00 63.41 C ATOM 862 O LYS A 55 3.248 1.920 24.663 1.00 14.04 O ATOM 863 CB LYS A 55 6.141 3.367 24.575 1.00 3.33 C ATOM 864 CG LYS A 55 5.193 4.463 25.076 1.00 52.31 C ATOM 865 CD LYS A 55 4.949 4.361 26.586 1.00 65.21 C ATOM 866 CE LYS A 55 4.007 5.450 27.100 1.00 31.44 C ATOM 867 NZ LYS A 55 4.588 6.812 26.965 1.00 63.42 N1+ ATOM 0 H LYS A 55 7.524 1.369 24.083 1.00 3.34 H new ATOM 0 HA LYS A 55 5.478 1.839 25.935 1.00 24.11 H new ATOM 0 HB2 LYS A 55 7.118 3.508 25.036 1.00 3.33 H new ATOM 0 HB3 LYS A 55 6.277 3.483 23.500 1.00 3.33 H new ATOM 0 HG2 LYS A 55 5.613 5.441 24.841 1.00 52.31 H new ATOM 0 HG3 LYS A 55 4.242 4.389 24.549 1.00 52.31 H new ATOM 0 HD2 LYS A 55 4.529 3.382 26.818 1.00 65.21 H new ATOM 0 HD3 LYS A 55 5.902 4.432 27.111 1.00 65.21 H new ATOM 0 HE2 LYS A 55 3.067 5.403 26.550 1.00 31.44 H new ATOM 0 HE3 LYS A 55 3.773 5.260 28.148 1.00 31.44 H new ATOM 0 HZ1 LYS A 55 3.958 7.505 27.418 1.00 63.42 H new ATOM 0 HZ2 LYS A 55 5.520 6.839 27.425 1.00 63.42 H new ATOM 0 HZ3 LYS A 55 4.693 7.046 25.957 1.00 63.42 H new ATOM 881 N LEU A 56 4.427 1.125 22.910 1.00 34.22 N ATOM 882 CA LEU A 56 3.247 0.811 22.089 1.00 44.12 C ATOM 883 C LEU A 56 2.259 -0.095 22.844 1.00 11.22 C ATOM 884 O LEU A 56 1.049 0.005 22.654 1.00 51.21 O ATOM 885 CB LEU A 56 3.673 0.148 20.768 1.00 34.33 C ATOM 886 CG LEU A 56 2.531 -0.217 19.800 1.00 74.13 C ATOM 887 CD1 LEU A 56 1.757 1.029 19.375 1.00 64.02 C ATOM 888 CD2 LEU A 56 3.076 -0.959 18.580 1.00 13.23 C ATOM 0 H LEU A 56 5.316 0.897 22.464 1.00 34.22 H new ATOM 0 HA LEU A 56 2.739 1.750 21.868 1.00 44.12 H new ATOM 0 HB2 LEU A 56 4.360 0.819 20.252 1.00 34.33 H new ATOM 0 HB3 LEU A 56 4.229 -0.760 21.002 1.00 34.33 H new ATOM 0 HG LEU A 56 1.841 -0.879 20.323 1.00 74.13 H new ATOM 0 HD11 LEU A 56 0.956 0.745 18.692 1.00 64.02 H new ATOM 0 HD12 LEU A 56 1.330 1.510 20.255 1.00 64.02 H new ATOM 0 HD13 LEU A 56 2.432 1.723 18.874 1.00 64.02 H new ATOM 0 HD21 LEU A 56 2.254 -1.208 17.909 1.00 13.23 H new ATOM 0 HD22 LEU A 56 3.792 -0.324 18.058 1.00 13.23 H new ATOM 0 HD23 LEU A 56 3.571 -1.875 18.902 1.00 13.23 H new ATOM 900 N ILE A 57 2.779 -0.968 23.707 1.00 71.33 N ATOM 901 CA ILE A 57 1.929 -1.835 24.536 1.00 32.14 C ATOM 902 C ILE A 57 0.971 -0.996 25.409 1.00 23.23 C ATOM 903 O ILE A 57 -0.223 -1.287 25.510 1.00 12.22 O ATOM 904 CB ILE A 57 2.803 -2.739 25.448 1.00 1.44 C ATOM 905 CG1 ILE A 57 3.652 -3.698 24.591 1.00 5.44 C ATOM 906 CG2 ILE A 57 1.944 -3.516 26.449 1.00 1.42 C ATOM 907 CD1 ILE A 57 4.584 -4.584 25.396 1.00 1.33 C ATOM 0 H ILE A 57 3.780 -1.096 23.853 1.00 71.33 H new ATOM 0 HA ILE A 57 1.338 -2.461 23.867 1.00 32.14 H new ATOM 0 HB ILE A 57 3.473 -2.098 26.021 1.00 1.44 H new ATOM 0 HG12 ILE A 57 2.986 -4.329 24.002 1.00 5.44 H new ATOM 0 HG13 ILE A 57 4.242 -3.113 23.886 1.00 5.44 H new ATOM 0 HG21 ILE A 57 2.585 -4.139 27.072 1.00 1.42 H new ATOM 0 HG22 ILE A 57 1.396 -2.815 27.079 1.00 1.42 H new ATOM 0 HG23 ILE A 57 1.238 -4.148 25.910 1.00 1.42 H new ATOM 0 HD11 ILE A 57 5.146 -5.229 24.721 1.00 1.33 H new ATOM 0 HD12 ILE A 57 5.276 -3.963 25.964 1.00 1.33 H new ATOM 0 HD13 ILE A 57 4.000 -5.198 26.082 1.00 1.33 H new ATOM 919 N ASN A 58 1.508 0.050 26.033 1.00 5.33 N ATOM 920 CA ASN A 58 0.701 1.012 26.796 1.00 54.34 C ATOM 921 C ASN A 58 -0.127 1.909 25.853 1.00 15.33 C ATOM 922 O ASN A 58 -1.241 2.338 26.178 1.00 2.33 O ATOM 923 CB ASN A 58 1.623 1.871 27.676 1.00 55.42 C ATOM 924 CG ASN A 58 0.858 2.844 28.556 1.00 31.54 C ATOM 925 OD1 ASN A 58 0.583 3.975 28.166 1.00 62.32 O ATOM 926 ND2 ASN A 58 0.517 2.419 29.755 1.00 2.54 N ATOM 0 H ASN A 58 2.507 0.258 26.027 1.00 5.33 H new ATOM 0 HA ASN A 58 0.006 0.461 27.429 1.00 54.34 H new ATOM 0 HB2 ASN A 58 2.229 1.218 28.305 1.00 55.42 H new ATOM 0 HB3 ASN A 58 2.310 2.428 27.039 1.00 55.42 H new ATOM 0 HD21 ASN A 58 0.009 3.036 30.389 1.00 2.54 H new ATOM 0 HD22 ASN A 58 0.760 1.473 30.049 1.00 2.54 H new ATOM 933 N ASP A 59 0.432 2.179 24.678 1.00 13.20 N ATOM 934 CA ASP A 59 -0.168 3.100 23.710 1.00 14.34 C ATOM 935 C ASP A 59 -1.455 2.535 23.070 1.00 21.11 C ATOM 936 O ASP A 59 -2.466 3.232 22.982 1.00 52.03 O ATOM 937 CB ASP A 59 0.875 3.420 22.632 1.00 23.44 C ATOM 938 CG ASP A 59 0.356 4.356 21.559 1.00 51.32 C ATOM 939 OD1 ASP A 59 0.036 3.880 20.451 1.00 32.25 O ATOM 940 OD2 ASP A 59 0.264 5.577 21.818 1.00 60.10 O1- ATOM 0 H ASP A 59 1.312 1.768 24.367 1.00 13.20 H new ATOM 0 HA ASP A 59 -0.464 4.007 24.237 1.00 14.34 H new ATOM 0 HB2 ASP A 59 1.750 3.868 23.103 1.00 23.44 H new ATOM 0 HB3 ASP A 59 1.204 2.491 22.167 1.00 23.44 H new ATOM 945 N VAL A 60 -1.429 1.264 22.678 1.00 30.03 N ATOM 946 CA VAL A 60 -2.553 0.642 21.964 1.00 10.23 C ATOM 947 C VAL A 60 -3.743 0.335 22.894 1.00 31.43 C ATOM 948 O VAL A 60 -4.894 0.338 22.461 1.00 42.30 O ATOM 949 CB VAL A 60 -2.106 -0.665 21.254 1.00 52.04 C ATOM 950 CG1 VAL A 60 -1.661 -1.722 22.269 1.00 3.10 C ATOM 951 CG2 VAL A 60 -3.214 -1.204 20.345 1.00 21.23 C ATOM 0 H VAL A 60 -0.640 0.638 22.841 1.00 30.03 H new ATOM 0 HA VAL A 60 -2.883 1.368 21.221 1.00 10.23 H new ATOM 0 HB VAL A 60 -1.247 -0.426 20.627 1.00 52.04 H new ATOM 0 HG11 VAL A 60 -1.354 -2.626 21.742 1.00 3.10 H new ATOM 0 HG12 VAL A 60 -0.823 -1.338 22.850 1.00 3.10 H new ATOM 0 HG13 VAL A 60 -2.489 -1.956 22.938 1.00 3.10 H new ATOM 0 HG21 VAL A 60 -2.874 -2.119 19.861 1.00 21.23 H new ATOM 0 HG22 VAL A 60 -4.102 -1.417 20.940 1.00 21.23 H new ATOM 0 HG23 VAL A 60 -3.456 -0.460 19.586 1.00 21.23 H new ATOM 961 N ARG A 61 -3.464 0.106 24.177 1.00 71.02 N ATOM 962 CA ARG A 61 -4.498 -0.327 25.130 1.00 14.41 C ATOM 963 C ARG A 61 -5.691 0.649 25.183 1.00 3.24 C ATOM 964 O ARG A 61 -6.847 0.230 25.115 1.00 51.14 O ATOM 965 CB ARG A 61 -3.893 -0.490 26.529 1.00 12.43 C ATOM 966 CG ARG A 61 -4.866 -1.068 27.555 1.00 15.14 C ATOM 967 CD ARG A 61 -4.223 -1.220 28.930 1.00 62.32 C ATOM 968 NE ARG A 61 -5.125 -1.853 29.894 1.00 4.42 N ATOM 969 CZ ARG A 61 -5.030 -1.717 31.190 1.00 51.12 C ATOM 970 NH1 ARG A 61 -4.104 -0.973 31.707 1.00 35.12 N1+ ATOM 971 NH2 ARG A 61 -5.862 -2.325 31.971 1.00 34.42 N ATOM 0 H ARG A 61 -2.535 0.211 24.584 1.00 71.02 H new ATOM 0 HA ARG A 61 -4.877 -1.287 24.780 1.00 14.41 H new ATOM 0 HB2 ARG A 61 -3.019 -1.139 26.464 1.00 12.43 H new ATOM 0 HB3 ARG A 61 -3.544 0.481 26.880 1.00 12.43 H new ATOM 0 HG2 ARG A 61 -5.739 -0.419 27.633 1.00 15.14 H new ATOM 0 HG3 ARG A 61 -5.221 -2.040 27.211 1.00 15.14 H new ATOM 0 HD2 ARG A 61 -3.314 -1.815 28.841 1.00 62.32 H new ATOM 0 HD3 ARG A 61 -3.927 -0.239 29.302 1.00 62.32 H new ATOM 0 HE ARG A 61 -5.877 -2.438 29.530 1.00 4.42 H new ATOM 0 HH11 ARG A 61 -3.442 -0.488 31.101 1.00 35.12 H new ATOM 0 HH12 ARG A 61 -4.037 -0.872 32.720 1.00 35.12 H new ATOM 0 HH21 ARG A 61 -6.596 -2.913 31.576 1.00 34.42 H new ATOM 0 HH22 ARG A 61 -5.785 -2.216 32.982 1.00 34.42 H new ATOM 985 N LYS A 62 -5.411 1.945 25.316 1.00 15.35 N ATOM 986 CA LYS A 62 -6.471 2.969 25.305 1.00 31.10 C ATOM 987 C LYS A 62 -6.789 3.467 23.880 1.00 10.24 C ATOM 988 O LYS A 62 -7.820 4.100 23.645 1.00 72.41 O ATOM 989 CB LYS A 62 -6.121 4.145 26.246 1.00 33.11 C ATOM 990 CG LYS A 62 -4.651 4.582 26.254 1.00 14.03 C ATOM 991 CD LYS A 62 -4.187 5.159 24.918 1.00 14.30 C ATOM 992 CE LYS A 62 -2.825 5.844 25.037 1.00 10.21 C ATOM 993 NZ LYS A 62 -1.822 4.989 25.726 1.00 14.44 N1+ ATOM 0 H LYS A 62 -4.468 2.315 25.432 1.00 15.35 H new ATOM 0 HA LYS A 62 -7.376 2.493 25.682 1.00 31.10 H new ATOM 0 HB2 LYS A 62 -6.733 5.003 25.967 1.00 33.11 H new ATOM 0 HB3 LYS A 62 -6.403 3.868 27.262 1.00 33.11 H new ATOM 0 HG2 LYS A 62 -4.505 5.328 27.035 1.00 14.03 H new ATOM 0 HG3 LYS A 62 -4.026 3.726 26.510 1.00 14.03 H new ATOM 0 HD2 LYS A 62 -4.129 4.361 24.178 1.00 14.30 H new ATOM 0 HD3 LYS A 62 -4.924 5.876 24.556 1.00 14.30 H new ATOM 0 HE2 LYS A 62 -2.460 6.098 24.042 1.00 10.21 H new ATOM 0 HE3 LYS A 62 -2.938 6.780 25.584 1.00 10.21 H new ATOM 0 HZ1 LYS A 62 -0.865 5.279 25.441 1.00 14.44 H new ATOM 0 HZ2 LYS A 62 -1.924 5.095 26.756 1.00 14.44 H new ATOM 0 HZ3 LYS A 62 -1.975 3.994 25.464 1.00 14.44 H new ATOM 1007 N LYS A 63 -5.908 3.162 22.931 1.00 33.31 N ATOM 1008 CA LYS A 63 -6.076 3.603 21.538 1.00 12.30 C ATOM 1009 C LYS A 63 -6.794 2.538 20.689 1.00 73.35 C ATOM 1010 O LYS A 63 -6.989 2.712 19.485 1.00 44.42 O ATOM 1011 CB LYS A 63 -4.699 3.924 20.938 1.00 33.12 C ATOM 1012 CG LYS A 63 -4.742 4.627 19.582 1.00 21.30 C ATOM 1013 CD LYS A 63 -3.338 4.912 19.052 1.00 75.10 C ATOM 1014 CE LYS A 63 -2.536 5.765 20.027 1.00 60.35 C ATOM 1015 NZ LYS A 63 -1.143 5.990 19.563 1.00 23.23 N1+ ATOM 0 H LYS A 63 -5.066 2.610 23.096 1.00 33.31 H new ATOM 0 HA LYS A 63 -6.698 4.498 21.532 1.00 12.30 H new ATOM 0 HB2 LYS A 63 -4.149 4.551 21.640 1.00 33.12 H new ATOM 0 HB3 LYS A 63 -4.138 2.995 20.833 1.00 33.12 H new ATOM 0 HG2 LYS A 63 -5.283 4.007 18.867 1.00 21.30 H new ATOM 0 HG3 LYS A 63 -5.294 5.563 19.674 1.00 21.30 H new ATOM 0 HD2 LYS A 63 -2.816 3.971 18.876 1.00 75.10 H new ATOM 0 HD3 LYS A 63 -3.407 5.423 18.092 1.00 75.10 H new ATOM 0 HE2 LYS A 63 -3.033 6.726 20.159 1.00 60.35 H new ATOM 0 HE3 LYS A 63 -2.518 5.279 21.002 1.00 60.35 H new ATOM 0 HZ1 LYS A 63 -0.584 6.410 20.333 1.00 23.23 H new ATOM 0 HZ2 LYS A 63 -0.719 5.082 19.284 1.00 23.23 H new ATOM 0 HZ3 LYS A 63 -1.149 6.635 18.747 1.00 23.23 H new ATOM 1029 N THR A 64 -7.194 1.438 21.323 1.00 40.11 N ATOM 1030 CA THR A 64 -7.905 0.357 20.625 1.00 1.00 C ATOM 1031 C THR A 64 -9.269 0.819 20.085 1.00 34.45 C ATOM 1032 O THR A 64 -9.959 1.625 20.712 1.00 13.12 O ATOM 1033 CB THR A 64 -8.137 -0.869 21.542 1.00 15.55 C ATOM 1034 OG1 THR A 64 -8.873 -1.880 20.832 1.00 30.05 O ATOM 1035 CG2 THR A 64 -8.898 -0.480 22.810 1.00 1.31 C ATOM 0 H THR A 64 -7.041 1.267 22.317 1.00 40.11 H new ATOM 0 HA THR A 64 -7.262 0.073 19.792 1.00 1.00 H new ATOM 0 HB THR A 64 -7.161 -1.258 21.833 1.00 15.55 H new ATOM 0 HG1 THR A 64 -9.680 -2.112 21.337 1.00 30.05 H new ATOM 0 HG21 THR A 64 -9.044 -1.363 23.432 1.00 1.31 H new ATOM 0 HG22 THR A 64 -8.325 0.263 23.364 1.00 1.31 H new ATOM 0 HG23 THR A 64 -9.868 -0.062 22.539 1.00 1.31 H new ATOM 1043 N LYS A 65 -9.653 0.297 18.920 1.00 13.10 N ATOM 1044 CA LYS A 65 -10.939 0.640 18.301 1.00 64.53 C ATOM 1045 C LYS A 65 -12.095 -0.134 18.959 1.00 14.34 C ATOM 1046 O LYS A 65 -13.188 0.399 19.154 1.00 5.42 O ATOM 1047 CB LYS A 65 -10.895 0.348 16.792 1.00 15.30 C ATOM 1048 CG LYS A 65 -12.166 0.754 16.050 1.00 74.13 C ATOM 1049 CD LYS A 65 -12.067 0.476 14.551 1.00 52.22 C ATOM 1050 CE LYS A 65 -13.331 0.893 13.808 1.00 44.34 C ATOM 1051 NZ LYS A 65 -13.608 2.349 13.938 1.00 0.34 N1+ ATOM 0 H LYS A 65 -9.093 -0.366 18.383 1.00 13.10 H new ATOM 0 HA LYS A 65 -11.115 1.705 18.453 1.00 64.53 H new ATOM 0 HB2 LYS A 65 -10.046 0.873 16.354 1.00 15.30 H new ATOM 0 HB3 LYS A 65 -10.722 -0.718 16.642 1.00 15.30 H new ATOM 0 HG2 LYS A 65 -13.016 0.212 16.464 1.00 74.13 H new ATOM 0 HG3 LYS A 65 -12.356 1.815 16.210 1.00 74.13 H new ATOM 0 HD2 LYS A 65 -11.211 1.011 14.139 1.00 52.22 H new ATOM 0 HD3 LYS A 65 -11.886 -0.587 14.391 1.00 52.22 H new ATOM 0 HE2 LYS A 65 -13.231 0.637 12.753 1.00 44.34 H new ATOM 0 HE3 LYS A 65 -14.180 0.328 14.194 1.00 44.34 H new ATOM 0 HZ1 LYS A 65 -14.627 2.497 14.081 1.00 0.34 H new ATOM 0 HZ2 LYS A 65 -13.085 2.730 14.752 1.00 0.34 H new ATOM 0 HZ3 LYS A 65 -13.305 2.839 13.072 1.00 0.34 H new ATOM 1065 N ASN A 66 -11.846 -1.398 19.296 1.00 74.14 N ATOM 1066 CA ASN A 66 -12.857 -2.250 19.937 1.00 72.24 C ATOM 1067 C ASN A 66 -12.334 -2.851 21.252 1.00 23.33 C ATOM 1068 O ASN A 66 -11.225 -3.381 21.304 1.00 74.44 O ATOM 1069 CB ASN A 66 -13.281 -3.368 18.974 1.00 51.51 C ATOM 1070 CG ASN A 66 -14.248 -4.359 19.602 1.00 73.35 C ATOM 1071 OD1 ASN A 66 -15.007 -4.029 20.507 1.00 71.32 O ATOM 1072 ND2 ASN A 66 -14.228 -5.589 19.128 1.00 70.00 N ATOM 0 H ASN A 66 -10.951 -1.860 19.137 1.00 74.14 H new ATOM 0 HA ASN A 66 -13.721 -1.630 20.176 1.00 72.24 H new ATOM 0 HB2 ASN A 66 -13.745 -2.924 18.093 1.00 51.51 H new ATOM 0 HB3 ASN A 66 -12.394 -3.901 18.632 1.00 51.51 H new ATOM 0 HD21 ASN A 66 -14.855 -6.295 19.515 1.00 70.00 H new ATOM 0 HD22 ASN A 66 -13.586 -5.835 18.375 1.00 70.00 H new ATOM 1079 N GLU A 67 -13.145 -2.778 22.310 1.00 5.51 N ATOM 1080 CA GLU A 67 -12.776 -3.365 23.606 1.00 1.12 C ATOM 1081 C GLU A 67 -12.626 -4.894 23.514 1.00 13.21 C ATOM 1082 O GLU A 67 -11.701 -5.467 24.091 1.00 4.15 O ATOM 1083 CB GLU A 67 -13.809 -2.999 24.681 1.00 43.12 C ATOM 1084 CG GLU A 67 -13.871 -1.504 24.989 1.00 22.10 C ATOM 1085 CD GLU A 67 -14.765 -1.182 26.177 1.00 50.50 C ATOM 1086 OE1 GLU A 67 -14.298 -1.316 27.329 1.00 10.04 O ATOM 1087 OE2 GLU A 67 -15.933 -0.790 25.967 1.00 64.22 O1- ATOM 0 H GLU A 67 -14.057 -2.322 22.298 1.00 5.51 H new ATOM 0 HA GLU A 67 -11.809 -2.949 23.888 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -14.794 -3.335 24.356 1.00 43.12 H new ATOM 0 HB3 GLU A 67 -13.574 -3.540 25.597 1.00 43.12 H new ATOM 0 HG2 GLU A 67 -12.864 -1.137 25.188 1.00 22.10 H new ATOM 0 HG3 GLU A 67 -14.236 -0.972 24.111 1.00 22.10 H new ATOM 1094 N GLU A 68 -13.520 -5.550 22.773 1.00 34.34 N ATOM 1095 CA GLU A 68 -13.433 -7.005 22.575 1.00 54.22 C ATOM 1096 C GLU A 68 -12.150 -7.383 21.817 1.00 41.30 C ATOM 1097 O GLU A 68 -11.549 -8.430 22.068 1.00 1.52 O ATOM 1098 CB GLU A 68 -14.663 -7.531 21.824 1.00 44.33 C ATOM 1099 CG GLU A 68 -15.974 -7.331 22.576 1.00 4.01 C ATOM 1100 CD GLU A 68 -17.153 -8.007 21.892 1.00 71.31 C ATOM 1101 OE1 GLU A 68 -17.432 -9.185 22.203 1.00 11.45 O ATOM 1102 OE2 GLU A 68 -17.806 -7.365 21.043 1.00 71.43 O1- ATOM 0 H GLU A 68 -14.308 -5.105 22.302 1.00 34.34 H new ATOM 0 HA GLU A 68 -13.402 -7.470 23.560 1.00 54.22 H new ATOM 0 HB2 GLU A 68 -14.729 -7.031 20.858 1.00 44.33 H new ATOM 0 HB3 GLU A 68 -14.528 -8.594 21.624 1.00 44.33 H new ATOM 0 HG2 GLU A 68 -15.872 -7.725 23.587 1.00 4.01 H new ATOM 0 HG3 GLU A 68 -16.176 -6.264 22.668 1.00 4.01 H new ATOM 1109 N LEU A 69 -11.736 -6.519 20.890 1.00 53.31 N ATOM 1110 CA LEU A 69 -10.459 -6.687 20.187 1.00 21.01 C ATOM 1111 C LEU A 69 -9.289 -6.448 21.160 1.00 23.31 C ATOM 1112 O LEU A 69 -8.277 -7.149 21.121 1.00 30.05 O ATOM 1113 CB LEU A 69 -10.396 -5.719 18.984 1.00 61.45 C ATOM 1114 CG LEU A 69 -9.261 -5.952 17.957 1.00 53.53 C ATOM 1115 CD1 LEU A 69 -7.915 -5.439 18.472 1.00 54.22 C ATOM 1116 CD2 LEU A 69 -9.167 -7.433 17.585 1.00 33.10 C ATOM 0 H LEU A 69 -12.265 -5.694 20.607 1.00 53.31 H new ATOM 0 HA LEU A 69 -10.379 -7.706 19.809 1.00 21.01 H new ATOM 0 HB2 LEU A 69 -11.348 -5.772 18.456 1.00 61.45 H new ATOM 0 HB3 LEU A 69 -10.302 -4.704 19.370 1.00 61.45 H new ATOM 0 HG LEU A 69 -9.507 -5.381 17.062 1.00 53.53 H new ATOM 0 HD11 LEU A 69 -7.145 -5.621 17.722 1.00 54.22 H new ATOM 0 HD12 LEU A 69 -7.984 -4.369 18.668 1.00 54.22 H new ATOM 0 HD13 LEU A 69 -7.655 -5.961 19.393 1.00 54.22 H new ATOM 0 HD21 LEU A 69 -8.364 -7.576 16.862 1.00 33.10 H new ATOM 0 HD22 LEU A 69 -8.960 -8.020 18.479 1.00 33.10 H new ATOM 0 HD23 LEU A 69 -10.111 -7.759 17.148 1.00 33.10 H new ATOM 1128 N ALA A 70 -9.454 -5.468 22.050 1.00 73.21 N ATOM 1129 CA ALA A 70 -8.445 -5.164 23.074 1.00 53.11 C ATOM 1130 C ALA A 70 -8.136 -6.392 23.942 1.00 3.22 C ATOM 1131 O ALA A 70 -7.001 -6.586 24.381 1.00 34.31 O ATOM 1132 CB ALA A 70 -8.905 -4.000 23.945 1.00 71.43 C ATOM 0 H ALA A 70 -10.278 -4.868 22.085 1.00 73.21 H new ATOM 0 HA ALA A 70 -7.526 -4.880 22.561 1.00 53.11 H new ATOM 0 HB1 ALA A 70 -8.147 -3.787 24.698 1.00 71.43 H new ATOM 0 HB2 ALA A 70 -9.056 -3.118 23.323 1.00 71.43 H new ATOM 0 HB3 ALA A 70 -9.842 -4.262 24.437 1.00 71.43 H new ATOM 1138 N LYS A 71 -9.155 -7.216 24.189 1.00 24.24 N ATOM 1139 CA LYS A 71 -8.973 -8.469 24.930 1.00 50.13 C ATOM 1140 C LYS A 71 -7.995 -9.402 24.190 1.00 12.32 C ATOM 1141 O LYS A 71 -7.169 -10.074 24.807 1.00 62.33 O ATOM 1142 CB LYS A 71 -10.324 -9.176 25.146 1.00 4.20 C ATOM 1143 CG LYS A 71 -11.423 -8.273 25.716 1.00 44.42 C ATOM 1144 CD LYS A 71 -10.988 -7.554 26.993 1.00 1.15 C ATOM 1145 CE LYS A 71 -10.658 -8.522 28.124 1.00 21.23 C ATOM 1146 NZ LYS A 71 -10.201 -7.806 29.345 1.00 5.12 N1+ ATOM 0 H LYS A 71 -10.114 -7.041 23.888 1.00 24.24 H new ATOM 0 HA LYS A 71 -8.550 -8.226 25.905 1.00 50.13 H new ATOM 0 HB2 LYS A 71 -10.663 -9.585 24.194 1.00 4.20 H new ATOM 0 HB3 LYS A 71 -10.176 -10.019 25.821 1.00 4.20 H new ATOM 0 HG2 LYS A 71 -11.707 -7.535 24.966 1.00 44.42 H new ATOM 0 HG3 LYS A 71 -12.309 -8.872 25.925 1.00 44.42 H new ATOM 0 HD2 LYS A 71 -10.114 -6.938 26.780 1.00 1.15 H new ATOM 0 HD3 LYS A 71 -11.782 -6.880 27.315 1.00 1.15 H new ATOM 0 HE2 LYS A 71 -11.539 -9.119 28.360 1.00 21.23 H new ATOM 0 HE3 LYS A 71 -9.882 -9.214 27.796 1.00 21.23 H new ATOM 0 HZ1 LYS A 71 -9.986 -8.497 30.092 1.00 5.12 H new ATOM 0 HZ2 LYS A 71 -9.346 -7.256 29.125 1.00 5.12 H new ATOM 0 HZ3 LYS A 71 -10.951 -7.164 29.672 1.00 5.12 H new ATOM 1160 N ARG A 72 -8.092 -9.422 22.859 1.00 1.35 N ATOM 1161 CA ARG A 72 -7.153 -10.183 22.022 1.00 11.12 C ATOM 1162 C ARG A 72 -5.765 -9.524 22.007 1.00 55.34 C ATOM 1163 O ARG A 72 -4.743 -10.208 21.992 1.00 61.55 O ATOM 1164 CB ARG A 72 -7.685 -10.333 20.585 1.00 52.12 C ATOM 1165 CG ARG A 72 -8.747 -11.421 20.419 1.00 61.54 C ATOM 1166 CD ARG A 72 -10.017 -11.121 21.204 1.00 74.24 C ATOM 1167 NE ARG A 72 -10.963 -12.233 21.151 1.00 40.50 N ATOM 1168 CZ ARG A 72 -12.228 -12.139 21.461 1.00 14.22 C ATOM 1169 NH1 ARG A 72 -12.740 -11.002 21.810 1.00 33.12 N1+ ATOM 1170 NH2 ARG A 72 -12.989 -13.181 21.411 1.00 72.25 N ATOM 0 H ARG A 72 -8.810 -8.921 22.335 1.00 1.35 H new ATOM 0 HA ARG A 72 -7.058 -11.177 22.460 1.00 11.12 H new ATOM 0 HB2 ARG A 72 -8.105 -9.380 20.264 1.00 52.12 H new ATOM 0 HB3 ARG A 72 -6.849 -10.553 19.921 1.00 52.12 H new ATOM 0 HG2 ARG A 72 -8.993 -11.526 19.362 1.00 61.54 H new ATOM 0 HG3 ARG A 72 -8.338 -12.377 20.747 1.00 61.54 H new ATOM 0 HD2 ARG A 72 -9.761 -10.911 22.242 1.00 74.24 H new ATOM 0 HD3 ARG A 72 -10.488 -10.223 20.804 1.00 74.24 H new ATOM 0 HE ARG A 72 -10.612 -13.143 20.852 1.00 40.50 H new ATOM 0 HH11 ARG A 72 -12.154 -10.168 21.845 1.00 33.12 H new ATOM 0 HH12 ARG A 72 -13.729 -10.940 22.050 1.00 33.12 H new ATOM 0 HH21 ARG A 72 -12.603 -14.082 21.129 1.00 72.25 H new ATOM 0 HH22 ARG A 72 -13.977 -13.103 21.654 1.00 72.25 H new ATOM 1184 N ALA A 73 -5.730 -8.192 22.023 1.00 3.32 N ATOM 1185 CA ALA A 73 -4.460 -7.465 22.079 1.00 41.24 C ATOM 1186 C ALA A 73 -3.691 -7.830 23.357 1.00 35.55 C ATOM 1187 O ALA A 73 -2.496 -8.107 23.315 1.00 13.41 O ATOM 1188 CB ALA A 73 -4.709 -5.961 22.011 1.00 15.43 C ATOM 0 H ALA A 73 -6.558 -7.597 21.998 1.00 3.32 H new ATOM 0 HA ALA A 73 -3.853 -7.753 21.220 1.00 41.24 H new ATOM 0 HB1 ALA A 73 -3.757 -5.432 22.054 1.00 15.43 H new ATOM 0 HB2 ALA A 73 -5.217 -5.718 21.078 1.00 15.43 H new ATOM 0 HB3 ALA A 73 -5.331 -5.657 22.853 1.00 15.43 H new ATOM 1194 N LYS A 74 -4.401 -7.867 24.483 1.00 43.54 N ATOM 1195 CA LYS A 74 -3.827 -8.308 25.762 1.00 72.42 C ATOM 1196 C LYS A 74 -3.235 -9.727 25.640 1.00 53.53 C ATOM 1197 O LYS A 74 -2.170 -10.027 26.188 1.00 24.32 O ATOM 1198 CB LYS A 74 -4.916 -8.284 26.846 1.00 23.41 C ATOM 1199 CG LYS A 74 -4.428 -8.663 28.241 1.00 14.01 C ATOM 1200 CD LYS A 74 -5.585 -8.753 29.234 1.00 61.34 C ATOM 1201 CE LYS A 74 -5.100 -9.068 30.641 1.00 44.23 C ATOM 1202 NZ LYS A 74 -4.313 -7.950 31.227 1.00 43.41 N1+ ATOM 0 H LYS A 74 -5.383 -7.596 24.540 1.00 43.54 H new ATOM 0 HA LYS A 74 -3.021 -7.627 26.037 1.00 72.42 H new ATOM 0 HB2 LYS A 74 -5.350 -7.285 26.886 1.00 23.41 H new ATOM 0 HB3 LYS A 74 -5.715 -8.967 26.556 1.00 23.41 H new ATOM 0 HG2 LYS A 74 -3.909 -9.620 28.198 1.00 14.01 H new ATOM 0 HG3 LYS A 74 -3.706 -7.924 28.588 1.00 14.01 H new ATOM 0 HD2 LYS A 74 -6.132 -7.810 29.241 1.00 61.34 H new ATOM 0 HD3 LYS A 74 -6.283 -9.524 28.909 1.00 61.34 H new ATOM 0 HE2 LYS A 74 -5.957 -9.281 31.280 1.00 44.23 H new ATOM 0 HE3 LYS A 74 -4.487 -9.969 30.619 1.00 44.23 H new ATOM 0 HZ1 LYS A 74 -4.133 -8.142 32.233 1.00 43.41 H new ATOM 0 HZ2 LYS A 74 -3.407 -7.862 30.724 1.00 43.41 H new ATOM 0 HZ3 LYS A 74 -4.848 -7.063 31.134 1.00 43.41 H new ATOM 1216 N LYS A 75 -3.941 -10.585 24.908 1.00 30.31 N ATOM 1217 CA LYS A 75 -3.513 -11.967 24.663 1.00 2.05 C ATOM 1218 C LYS A 75 -2.165 -12.006 23.904 1.00 72.11 C ATOM 1219 O LYS A 75 -1.244 -12.735 24.285 1.00 51.54 O ATOM 1220 CB LYS A 75 -4.627 -12.686 23.871 1.00 0.32 C ATOM 1221 CG LYS A 75 -4.502 -14.208 23.752 1.00 15.22 C ATOM 1222 CD LYS A 75 -3.426 -14.637 22.754 1.00 14.23 C ATOM 1223 CE LYS A 75 -3.551 -16.110 22.390 1.00 4.21 C ATOM 1224 NZ LYS A 75 -3.565 -16.984 23.591 1.00 74.21 N1+ ATOM 0 H LYS A 75 -4.828 -10.345 24.466 1.00 30.31 H new ATOM 0 HA LYS A 75 -3.352 -12.479 25.612 1.00 2.05 H new ATOM 0 HB2 LYS A 75 -5.583 -12.457 24.341 1.00 0.32 H new ATOM 0 HB3 LYS A 75 -4.658 -12.266 22.866 1.00 0.32 H new ATOM 0 HG2 LYS A 75 -4.271 -14.627 24.731 1.00 15.22 H new ATOM 0 HG3 LYS A 75 -5.462 -14.624 23.446 1.00 15.22 H new ATOM 0 HD2 LYS A 75 -3.505 -14.031 21.851 1.00 14.23 H new ATOM 0 HD3 LYS A 75 -2.440 -14.450 23.179 1.00 14.23 H new ATOM 0 HE2 LYS A 75 -4.466 -16.265 21.819 1.00 4.21 H new ATOM 0 HE3 LYS A 75 -2.720 -16.395 21.745 1.00 4.21 H new ATOM 0 HZ1 LYS A 75 -3.668 -17.976 23.297 1.00 74.21 H new ATOM 0 HZ2 LYS A 75 -2.674 -16.869 24.114 1.00 74.21 H new ATOM 0 HZ3 LYS A 75 -4.363 -16.719 24.204 1.00 74.21 H new ATOM 1238 N LEU A 76 -2.056 -11.219 22.831 1.00 43.10 N ATOM 1239 CA LEU A 76 -0.803 -11.124 22.055 1.00 12.54 C ATOM 1240 C LEU A 76 0.313 -10.421 22.852 1.00 4.32 C ATOM 1241 O LEU A 76 1.482 -10.803 22.776 1.00 33.44 O ATOM 1242 CB LEU A 76 -1.039 -10.392 20.720 1.00 34.22 C ATOM 1243 CG LEU A 76 -1.667 -11.236 19.591 1.00 25.33 C ATOM 1244 CD1 LEU A 76 -3.029 -11.791 19.997 1.00 10.14 C ATOM 1245 CD2 LEU A 76 -1.779 -10.412 18.306 1.00 74.43 C ATOM 0 H LEU A 76 -2.814 -10.637 22.475 1.00 43.10 H new ATOM 0 HA LEU A 76 -0.477 -12.143 21.848 1.00 12.54 H new ATOM 0 HB2 LEU A 76 -1.684 -9.534 20.908 1.00 34.22 H new ATOM 0 HB3 LEU A 76 -0.084 -10.002 20.368 1.00 34.22 H new ATOM 0 HG LEU A 76 -1.009 -12.085 19.405 1.00 25.33 H new ATOM 0 HD11 LEU A 76 -3.441 -12.380 19.177 1.00 10.14 H new ATOM 0 HD12 LEU A 76 -2.916 -12.424 20.878 1.00 10.14 H new ATOM 0 HD13 LEU A 76 -3.704 -10.967 20.226 1.00 10.14 H new ATOM 0 HD21 LEU A 76 -2.224 -11.022 17.520 1.00 74.43 H new ATOM 0 HD22 LEU A 76 -2.407 -9.539 18.487 1.00 74.43 H new ATOM 0 HD23 LEU A 76 -0.786 -10.087 17.995 1.00 74.43 H new ATOM 1257 N LEU A 77 -0.063 -9.407 23.628 1.00 51.32 N ATOM 1258 CA LEU A 77 0.884 -8.632 24.447 1.00 52.42 C ATOM 1259 C LEU A 77 1.695 -9.528 25.401 1.00 44.30 C ATOM 1260 O LEU A 77 2.842 -9.216 25.732 1.00 32.24 O ATOM 1261 CB LEU A 77 0.128 -7.540 25.230 1.00 42.40 C ATOM 1262 CG LEU A 77 0.090 -6.142 24.569 1.00 71.22 C ATOM 1263 CD1 LEU A 77 -0.205 -6.229 23.072 1.00 22.42 C ATOM 1264 CD2 LEU A 77 -0.945 -5.253 25.261 1.00 21.24 C ATOM 0 H LEU A 77 -1.030 -9.095 23.711 1.00 51.32 H new ATOM 0 HA LEU A 77 1.599 -8.160 23.773 1.00 52.42 H new ATOM 0 HB2 LEU A 77 -0.897 -7.875 25.386 1.00 42.40 H new ATOM 0 HB3 LEU A 77 0.585 -7.443 26.215 1.00 42.40 H new ATOM 0 HG LEU A 77 1.079 -5.698 24.686 1.00 71.22 H new ATOM 0 HD11 LEU A 77 -0.223 -5.226 22.646 1.00 22.42 H new ATOM 0 HD12 LEU A 77 0.571 -6.818 22.582 1.00 22.42 H new ATOM 0 HD13 LEU A 77 -1.173 -6.706 22.919 1.00 22.42 H new ATOM 0 HD21 LEU A 77 -0.960 -4.273 24.784 1.00 21.24 H new ATOM 0 HD22 LEU A 77 -1.931 -5.711 25.179 1.00 21.24 H new ATOM 0 HD23 LEU A 77 -0.683 -5.141 26.313 1.00 21.24 H new ATOM 1276 N ARG A 78 1.097 -10.641 25.836 1.00 12.54 N ATOM 1277 CA ARG A 78 1.789 -11.605 26.706 1.00 73.51 C ATOM 1278 C ARG A 78 3.124 -12.066 26.088 1.00 42.24 C ATOM 1279 O ARG A 78 4.102 -12.292 26.803 1.00 33.52 O ATOM 1280 CB ARG A 78 0.902 -12.835 26.959 1.00 40.05 C ATOM 1281 CG ARG A 78 -0.400 -12.541 27.698 1.00 52.11 C ATOM 1282 CD ARG A 78 -0.153 -12.007 29.107 1.00 62.03 C ATOM 1283 NE ARG A 78 -1.369 -12.035 29.919 1.00 22.14 N ATOM 1284 CZ ARG A 78 -1.508 -11.422 31.064 1.00 40.02 C ATOM 1285 NH1 ARG A 78 -0.557 -10.681 31.535 1.00 61.43 N1+ ATOM 1286 NH2 ARG A 78 -2.606 -11.550 31.733 1.00 21.32 N ATOM 0 H ARG A 78 0.138 -10.899 25.603 1.00 12.54 H new ATOM 0 HA ARG A 78 1.996 -11.099 27.649 1.00 73.51 H new ATOM 0 HB2 ARG A 78 0.664 -13.297 26.001 1.00 40.05 H new ATOM 0 HB3 ARG A 78 1.472 -13.566 27.533 1.00 40.05 H new ATOM 0 HG2 ARG A 78 -0.981 -11.813 27.132 1.00 52.11 H new ATOM 0 HG3 ARG A 78 -0.997 -13.451 27.755 1.00 52.11 H new ATOM 0 HD2 ARG A 78 0.621 -12.603 29.591 1.00 62.03 H new ATOM 0 HD3 ARG A 78 0.221 -10.985 29.048 1.00 62.03 H new ATOM 0 HE ARG A 78 -2.163 -12.570 29.567 1.00 22.14 H new ATOM 0 HH11 ARG A 78 0.311 -10.571 31.011 1.00 61.43 H new ATOM 0 HH12 ARG A 78 -0.676 -10.207 32.430 1.00 61.43 H new ATOM 0 HH21 ARG A 78 -3.362 -12.129 31.367 1.00 21.32 H new ATOM 0 HH22 ARG A 78 -2.717 -11.072 32.627 1.00 21.32 H new ATOM 1300 N SER A 79 3.154 -12.195 24.761 1.00 1.24 N ATOM 1301 CA SER A 79 4.373 -12.609 24.043 1.00 54.32 C ATOM 1302 C SER A 79 5.458 -11.522 24.096 1.00 50.25 C ATOM 1303 O SER A 79 6.623 -11.801 24.384 1.00 71.14 O ATOM 1304 CB SER A 79 4.049 -12.945 22.578 1.00 73.42 C ATOM 1305 OG SER A 79 5.210 -13.355 21.872 1.00 13.23 O ATOM 0 H SER A 79 2.351 -12.020 24.156 1.00 1.24 H new ATOM 0 HA SER A 79 4.757 -13.499 24.542 1.00 54.32 H new ATOM 0 HB2 SER A 79 3.301 -13.737 22.542 1.00 73.42 H new ATOM 0 HB3 SER A 79 3.614 -12.072 22.091 1.00 73.42 H new ATOM 0 HG SER A 79 5.026 -14.194 21.399 1.00 13.23 H new ATOM 1311 N TRP A 80 5.059 -10.274 23.839 1.00 74.10 N ATOM 1312 CA TRP A 80 5.993 -9.133 23.822 1.00 0.21 C ATOM 1313 C TRP A 80 6.654 -8.918 25.196 1.00 34.25 C ATOM 1314 O TRP A 80 7.719 -8.312 25.306 1.00 62.31 O ATOM 1315 CB TRP A 80 5.252 -7.861 23.387 1.00 23.12 C ATOM 1316 CG TRP A 80 4.697 -7.926 21.989 1.00 74.53 C ATOM 1317 CD1 TRP A 80 4.271 -9.039 21.323 1.00 14.40 C ATOM 1318 CD2 TRP A 80 4.496 -6.827 21.094 1.00 2.02 C ATOM 1319 NE1 TRP A 80 3.834 -8.702 20.067 1.00 53.25 N ATOM 1320 CE2 TRP A 80 3.961 -7.349 19.901 1.00 4.43 C ATOM 1321 CE3 TRP A 80 4.726 -5.452 21.185 1.00 55.42 C ATOM 1322 CZ2 TRP A 80 3.650 -6.542 18.809 1.00 45.32 C ATOM 1323 CZ3 TRP A 80 4.415 -4.650 20.105 1.00 74.51 C ATOM 1324 CH2 TRP A 80 3.882 -5.197 18.929 1.00 62.20 C ATOM 0 H TRP A 80 4.091 -10.022 23.638 1.00 74.10 H new ATOM 0 HA TRP A 80 6.785 -9.357 23.107 1.00 0.21 H new ATOM 0 HB2 TRP A 80 4.435 -7.672 24.083 1.00 23.12 H new ATOM 0 HB3 TRP A 80 5.933 -7.013 23.458 1.00 23.12 H new ATOM 0 HD1 TRP A 80 4.277 -10.041 21.727 1.00 14.40 H new ATOM 0 HE1 TRP A 80 3.473 -9.354 19.370 1.00 53.25 H new ATOM 0 HE3 TRP A 80 5.140 -5.023 22.086 1.00 55.42 H new ATOM 0 HZ2 TRP A 80 3.241 -6.961 17.901 1.00 45.32 H new ATOM 0 HZ3 TRP A 80 4.585 -3.585 20.167 1.00 74.51 H new ATOM 0 HH2 TRP A 80 3.649 -4.544 18.100 1.00 62.20 H new ATOM 1335 N GLN A 81 6.005 -9.428 26.240 1.00 10.42 N ATOM 1336 CA GLN A 81 6.536 -9.390 27.610 1.00 61.21 C ATOM 1337 C GLN A 81 7.865 -10.162 27.741 1.00 75.11 C ATOM 1338 O GLN A 81 8.600 -9.980 28.709 1.00 50.15 O ATOM 1339 CB GLN A 81 5.496 -9.942 28.594 1.00 61.23 C ATOM 1340 CG GLN A 81 4.224 -9.098 28.672 1.00 72.24 C ATOM 1341 CD GLN A 81 4.470 -7.720 29.268 1.00 15.42 C ATOM 1342 OE1 GLN A 81 4.381 -7.533 30.477 1.00 72.34 O ATOM 1343 NE2 GLN A 81 4.785 -6.746 28.433 1.00 13.11 N ATOM 0 H GLN A 81 5.094 -9.881 26.165 1.00 10.42 H new ATOM 0 HA GLN A 81 6.745 -8.348 27.852 1.00 61.21 H new ATOM 0 HB2 GLN A 81 5.231 -10.958 28.299 1.00 61.23 H new ATOM 0 HB3 GLN A 81 5.943 -10.004 29.586 1.00 61.23 H new ATOM 0 HG2 GLN A 81 3.804 -8.987 27.672 1.00 72.24 H new ATOM 0 HG3 GLN A 81 3.481 -9.622 29.273 1.00 72.24 H new ATOM 0 HE21 GLN A 81 4.851 -6.933 27.433 1.00 13.11 H new ATOM 0 HE22 GLN A 81 4.962 -5.807 28.789 1.00 13.11 H new ATOM 1352 N LYS A 82 8.172 -10.998 26.746 1.00 51.12 N ATOM 1353 CA LYS A 82 9.328 -11.915 26.786 1.00 13.23 C ATOM 1354 C LYS A 82 10.673 -11.184 27.023 1.00 21.12 C ATOM 1355 O LYS A 82 11.663 -11.809 27.409 1.00 3.31 O ATOM 1356 CB LYS A 82 9.377 -12.692 25.455 1.00 3.14 C ATOM 1357 CG LYS A 82 10.619 -13.559 25.250 1.00 43.34 C ATOM 1358 CD LYS A 82 10.661 -14.146 23.840 1.00 3.43 C ATOM 1359 CE LYS A 82 11.985 -14.847 23.551 1.00 62.33 C ATOM 1360 NZ LYS A 82 12.223 -16.003 24.455 1.00 23.51 N1+ ATOM 0 H LYS A 82 7.628 -11.063 25.885 1.00 51.12 H new ATOM 0 HA LYS A 82 9.194 -12.590 27.631 1.00 13.23 H new ATOM 0 HB2 LYS A 82 8.495 -13.329 25.393 1.00 3.14 H new ATOM 0 HB3 LYS A 82 9.313 -11.978 24.634 1.00 3.14 H new ATOM 0 HG2 LYS A 82 11.514 -12.962 25.424 1.00 43.34 H new ATOM 0 HG3 LYS A 82 10.626 -14.366 25.982 1.00 43.34 H new ATOM 0 HD2 LYS A 82 9.842 -14.854 23.718 1.00 3.43 H new ATOM 0 HD3 LYS A 82 10.506 -13.350 23.111 1.00 3.43 H new ATOM 0 HE2 LYS A 82 11.993 -15.190 22.517 1.00 62.33 H new ATOM 0 HE3 LYS A 82 12.802 -14.133 23.656 1.00 62.33 H new ATOM 0 HZ1 LYS A 82 13.032 -16.556 24.106 1.00 23.51 H new ATOM 0 HZ2 LYS A 82 12.428 -15.657 25.414 1.00 23.51 H new ATOM 0 HZ3 LYS A 82 11.376 -16.606 24.478 1.00 23.51 H new ATOM 1374 N LEU A 83 10.712 -9.869 26.818 1.00 23.30 N ATOM 1375 CA LEU A 83 11.940 -9.092 27.070 1.00 31.42 C ATOM 1376 C LEU A 83 12.099 -8.681 28.552 1.00 14.22 C ATOM 1377 O LEU A 83 13.222 -8.506 29.032 1.00 73.43 O ATOM 1378 CB LEU A 83 12.026 -7.861 26.142 1.00 71.55 C ATOM 1379 CG LEU A 83 10.704 -7.145 25.802 1.00 32.12 C ATOM 1380 CD1 LEU A 83 10.020 -6.591 27.046 1.00 3.51 C ATOM 1381 CD2 LEU A 83 10.960 -6.030 24.796 1.00 1.24 C ATOM 0 H LEU A 83 9.922 -9.318 26.482 1.00 23.30 H new ATOM 0 HA LEU A 83 12.774 -9.755 26.839 1.00 31.42 H new ATOM 0 HB2 LEU A 83 12.695 -7.135 26.604 1.00 71.55 H new ATOM 0 HB3 LEU A 83 12.492 -8.174 25.207 1.00 71.55 H new ATOM 0 HG LEU A 83 10.031 -7.881 25.363 1.00 32.12 H new ATOM 0 HD11 LEU A 83 9.092 -6.095 26.761 1.00 3.51 H new ATOM 0 HD12 LEU A 83 9.798 -7.407 27.733 1.00 3.51 H new ATOM 0 HD13 LEU A 83 10.680 -5.874 27.535 1.00 3.51 H new ATOM 0 HD21 LEU A 83 10.021 -5.529 24.561 1.00 1.24 H new ATOM 0 HD22 LEU A 83 11.659 -5.310 25.221 1.00 1.24 H new ATOM 0 HD23 LEU A 83 11.384 -6.452 23.885 1.00 1.24 H new ATOM 1393 N ILE A 84 10.987 -8.518 29.274 1.00 20.23 N ATOM 1394 CA ILE A 84 11.050 -8.170 30.704 1.00 21.50 C ATOM 1395 C ILE A 84 10.714 -9.363 31.611 1.00 74.20 C ATOM 1396 O ILE A 84 11.141 -9.410 32.767 1.00 13.01 O ATOM 1397 CB ILE A 84 10.092 -6.999 31.053 1.00 33.43 C ATOM 1398 CG1 ILE A 84 8.658 -7.315 30.587 1.00 5.43 C ATOM 1399 CG2 ILE A 84 10.593 -5.693 30.438 1.00 35.13 C ATOM 1400 CD1 ILE A 84 7.645 -6.241 30.931 1.00 33.21 C ATOM 0 H ILE A 84 10.042 -8.619 28.902 1.00 20.23 H new ATOM 0 HA ILE A 84 12.081 -7.866 30.886 1.00 21.50 H new ATOM 0 HB ILE A 84 10.076 -6.877 32.136 1.00 33.43 H new ATOM 0 HG12 ILE A 84 8.663 -7.463 29.507 1.00 5.43 H new ATOM 0 HG13 ILE A 84 8.341 -8.256 31.036 1.00 5.43 H new ATOM 0 HG21 ILE A 84 9.908 -4.884 30.694 1.00 35.13 H new ATOM 0 HG22 ILE A 84 11.585 -5.465 30.827 1.00 35.13 H new ATOM 0 HG23 ILE A 84 10.643 -5.797 29.354 1.00 35.13 H new ATOM 0 HD11 ILE A 84 6.661 -6.539 30.569 1.00 33.21 H new ATOM 0 HD12 ILE A 84 7.609 -6.108 32.012 1.00 33.21 H new ATOM 0 HD13 ILE A 84 7.936 -5.302 30.460 1.00 33.21 H new ATOM 1412 N GLU A 85 9.974 -10.335 31.080 1.00 53.32 N ATOM 1413 CA GLU A 85 9.510 -11.483 31.867 1.00 54.44 C ATOM 1414 C GLU A 85 9.442 -12.757 31.006 1.00 44.01 C ATOM 1415 O GLU A 85 9.125 -12.697 29.818 1.00 71.35 O ATOM 1416 CB GLU A 85 8.120 -11.192 32.470 1.00 53.32 C ATOM 1417 CG GLU A 85 8.103 -10.047 33.481 1.00 23.42 C ATOM 1418 CD GLU A 85 6.756 -9.889 34.170 1.00 52.10 C ATOM 1419 OE1 GLU A 85 6.420 -10.737 35.027 1.00 65.11 O ATOM 1420 OE2 GLU A 85 6.029 -8.918 33.865 1.00 11.02 O1- ATOM 0 H GLU A 85 9.680 -10.353 30.103 1.00 53.32 H new ATOM 0 HA GLU A 85 10.227 -11.647 32.671 1.00 54.44 H new ATOM 0 HB2 GLU A 85 7.427 -10.958 31.661 1.00 53.32 H new ATOM 0 HB3 GLU A 85 7.750 -12.095 32.955 1.00 53.32 H new ATOM 0 HG2 GLU A 85 8.872 -10.221 34.233 1.00 23.42 H new ATOM 0 HG3 GLU A 85 8.358 -9.117 32.974 1.00 23.42 H new ATOM 1427 N PRO A 86 9.739 -13.932 31.594 1.00 32.53 N ATOM 1428 CA PRO A 86 9.648 -15.227 30.889 1.00 62.51 C ATOM 1429 C PRO A 86 8.193 -15.680 30.628 1.00 52.25 C ATOM 1430 O PRO A 86 7.823 -16.813 30.940 1.00 34.13 O ATOM 1431 CB PRO A 86 10.357 -16.209 31.852 1.00 0.10 C ATOM 1432 CG PRO A 86 11.048 -15.352 32.864 1.00 60.21 C ATOM 1433 CD PRO A 86 10.226 -14.101 32.970 1.00 43.41 C ATOM 0 HA PRO A 86 10.097 -15.173 29.897 1.00 62.51 H new ATOM 0 HB2 PRO A 86 9.640 -16.877 32.329 1.00 0.10 H new ATOM 0 HB3 PRO A 86 11.070 -16.836 31.317 1.00 0.10 H new ATOM 0 HG2 PRO A 86 11.114 -15.859 33.826 1.00 60.21 H new ATOM 0 HG3 PRO A 86 12.068 -15.125 32.553 1.00 60.21 H new ATOM 0 HD2 PRO A 86 9.407 -14.211 33.681 1.00 43.41 H new ATOM 0 HD3 PRO A 86 10.821 -13.249 33.299 1.00 43.41 H new ATOM 1441 N ALA A 87 7.383 -14.809 30.023 1.00 41.11 N ATOM 1442 CA ALA A 87 5.966 -15.111 29.762 1.00 42.12 C ATOM 1443 C ALA A 87 5.781 -16.073 28.571 1.00 11.23 C ATOM 1444 O ALA A 87 5.017 -17.037 28.657 1.00 35.43 O ATOM 1445 CB ALA A 87 5.195 -13.813 29.527 1.00 10.32 C ATOM 0 H ALA A 87 7.680 -13.887 29.703 1.00 41.11 H new ATOM 0 HA ALA A 87 5.569 -15.617 30.642 1.00 42.12 H new ATOM 0 HB1 ALA A 87 4.147 -14.042 29.334 1.00 10.32 H new ATOM 0 HB2 ALA A 87 5.271 -13.179 30.411 1.00 10.32 H new ATOM 0 HB3 ALA A 87 5.616 -13.290 28.668 1.00 10.32 H new ATOM 1451 N HIS A 88 6.489 -15.803 27.468 1.00 3.11 N ATOM 1452 CA HIS A 88 6.398 -16.613 26.236 1.00 13.21 C ATOM 1453 C HIS A 88 4.994 -16.551 25.598 1.00 74.43 C ATOM 1454 O HIS A 88 4.765 -15.792 24.655 1.00 4.15 O ATOM 1455 CB HIS A 88 6.778 -18.084 26.499 1.00 71.45 C ATOM 1456 CG HIS A 88 8.200 -18.302 26.922 1.00 40.15 C ATOM 1457 ND1 HIS A 88 9.119 -18.974 26.146 1.00 1.02 N ATOM 1458 CD2 HIS A 88 8.850 -17.974 28.062 1.00 31.14 C ATOM 1459 CE1 HIS A 88 10.265 -19.057 26.790 1.00 53.51 C ATOM 1460 NE2 HIS A 88 10.127 -18.460 27.952 1.00 52.03 N ATOM 0 H HIS A 88 7.140 -15.021 27.399 1.00 3.11 H new ATOM 0 HA HIS A 88 7.111 -16.180 25.535 1.00 13.21 H new ATOM 0 HB2 HIS A 88 6.119 -18.482 27.271 1.00 71.45 H new ATOM 0 HB3 HIS A 88 6.591 -18.660 25.593 1.00 71.45 H new ATOM 0 HD2 HIS A 88 8.440 -17.431 28.901 1.00 31.14 H new ATOM 0 HE1 HIS A 88 11.163 -19.534 26.426 1.00 53.51 H new ATOM 0 HE2 HIS A 88 10.855 -18.372 28.661 1.00 52.03 H new ATOM 1469 N GLN A 89 4.063 -17.350 26.134 1.00 20.55 N ATOM 1470 CA GLN A 89 2.720 -17.523 25.555 1.00 51.35 C ATOM 1471 C GLN A 89 2.817 -18.134 24.142 1.00 51.41 C ATOM 1472 O GLN A 89 2.503 -19.309 23.938 1.00 65.13 O ATOM 1473 CB GLN A 89 1.943 -16.187 25.527 1.00 61.23 C ATOM 1474 CG GLN A 89 0.483 -16.294 25.977 1.00 22.10 C ATOM 1475 CD GLN A 89 -0.324 -17.314 25.190 1.00 22.14 C ATOM 1476 OE1 GLN A 89 -0.927 -17.000 24.170 1.00 22.45 O ATOM 1477 NE2 GLN A 89 -0.354 -18.541 25.669 1.00 62.32 N ATOM 0 H GLN A 89 4.217 -17.896 26.982 1.00 20.55 H new ATOM 0 HA GLN A 89 2.165 -18.212 26.191 1.00 51.35 H new ATOM 0 HB2 GLN A 89 2.456 -15.469 26.167 1.00 61.23 H new ATOM 0 HB3 GLN A 89 1.970 -15.787 24.514 1.00 61.23 H new ATOM 0 HG2 GLN A 89 0.456 -16.559 27.034 1.00 22.10 H new ATOM 0 HG3 GLN A 89 0.010 -15.317 25.881 1.00 22.10 H new ATOM 0 HE21 GLN A 89 0.159 -18.769 26.520 1.00 62.32 H new ATOM 0 HE22 GLN A 89 -0.891 -19.263 25.188 1.00 62.32 H new ATOM 1486 N HIS A 90 3.252 -17.321 23.178 1.00 20.41 N ATOM 1487 CA HIS A 90 3.547 -17.780 21.813 1.00 53.11 C ATOM 1488 C HIS A 90 4.637 -16.901 21.182 1.00 61.14 C ATOM 1489 O HIS A 90 4.350 -15.822 20.658 1.00 10.41 O ATOM 1490 CB HIS A 90 2.297 -17.744 20.916 1.00 42.53 C ATOM 1491 CG HIS A 90 1.213 -18.692 21.314 1.00 72.55 C ATOM 1492 ND1 HIS A 90 0.045 -18.281 21.911 1.00 11.43 N ATOM 1493 CD2 HIS A 90 1.101 -20.033 21.159 1.00 4.10 C ATOM 1494 CE1 HIS A 90 -0.735 -19.322 22.111 1.00 60.33 C ATOM 1495 NE2 HIS A 90 -0.123 -20.399 21.663 1.00 23.41 N ATOM 0 H HIS A 90 3.411 -16.323 23.319 1.00 20.41 H new ATOM 0 HA HIS A 90 3.891 -18.811 21.887 1.00 53.11 H new ATOM 0 HB2 HIS A 90 1.894 -16.731 20.919 1.00 42.53 H new ATOM 0 HB3 HIS A 90 2.596 -17.965 19.891 1.00 42.53 H new ATOM 0 HD1 HIS A 90 -0.182 -17.318 22.160 1.00 11.43 H new ATOM 0 HD2 HIS A 90 1.837 -20.691 20.721 1.00 4.10 H new ATOM 0 HE1 HIS A 90 -1.714 -19.297 22.567 1.00 60.33 H new ATOM 1504 N GLU A 91 5.889 -17.341 21.268 1.00 30.33 N ATOM 1505 CA GLU A 91 7.003 -16.625 20.632 1.00 43.52 C ATOM 1506 C GLU A 91 7.400 -17.287 19.306 1.00 15.22 C ATOM 1507 O GLU A 91 6.952 -18.395 18.990 1.00 11.21 O ATOM 1508 CB GLU A 91 8.222 -16.568 21.567 1.00 0.42 C ATOM 1509 CG GLU A 91 8.806 -17.935 21.912 1.00 74.12 C ATOM 1510 CD GLU A 91 10.098 -17.839 22.706 1.00 63.20 C ATOM 1511 OE1 GLU A 91 11.187 -17.923 22.096 1.00 21.50 O ATOM 1512 OE2 GLU A 91 10.036 -17.663 23.939 1.00 73.12 O1- ATOM 0 H GLU A 91 6.162 -18.186 21.769 1.00 30.33 H new ATOM 0 HA GLU A 91 6.665 -15.609 20.428 1.00 43.52 H new ATOM 0 HB2 GLU A 91 8.997 -15.961 21.099 1.00 0.42 H new ATOM 0 HB3 GLU A 91 7.936 -16.064 22.490 1.00 0.42 H new ATOM 0 HG2 GLU A 91 8.074 -18.504 22.485 1.00 74.12 H new ATOM 0 HG3 GLU A 91 8.991 -18.489 20.992 1.00 74.12 H new ATOM 1519 N ALA A 92 8.236 -16.601 18.532 1.00 43.53 N ATOM 1520 CA ALA A 92 8.741 -17.137 17.261 1.00 61.13 C ATOM 1521 C ALA A 92 10.203 -17.610 17.394 1.00 42.11 C ATOM 1522 O ALA A 92 10.423 -18.796 17.733 1.00 36.32 O ATOM 1523 CB ALA A 92 8.604 -16.089 16.155 1.00 60.53 C ATOM 1524 OXT ALA A 92 11.126 -16.794 17.171 1.00 36.32 O ATOM 0 H ALA A 92 8.582 -15.669 18.759 1.00 43.53 H new ATOM 0 HA ALA A 92 8.139 -18.006 16.994 1.00 61.13 H new ATOM 0 HB1 ALA A 92 8.982 -16.498 15.218 1.00 60.53 H new ATOM 0 HB2 ALA A 92 7.554 -15.820 16.037 1.00 60.53 H new ATOM 0 HB3 ALA A 92 9.178 -15.202 16.421 1.00 60.53 H new TER 1530 ALA A 92