USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 987 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 129 HIS : no HD1:sc= -0.729 K(o=-0.73,f=-3.6!) USER MOD Set 2.1: A 5 THR OG1 : rot -139:sc= 0.0136 USER MOD Set 2.2: A 127 HIS : no HE2:sc= 0.111 K(o=0.12,f=-3.2!) USER MOD Set 3.1: A 47 LYS NZ :NH3+ -155:sc= 0.725 (180deg=-0.177) USER MOD Set 3.2: A 65 GLN : amide:sc= -0.274 K(o=0.45,f=-5.3!) USER MOD Set 4.1: A 7 TYR OH : rot 55:sc= 0.747 USER MOD Set 4.2: A 126 HIS : no HE2:sc= 0.99 K(o=1.7,f=-4.3!) USER MOD Single : A 1 MET CE :methyl 157:sc= 0 (180deg=-0.292) USER MOD Single : A 1 MET N :NH3+ -163:sc= 0 (180deg=-0.211) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc=-0.00275 (180deg=-0.079) USER MOD Single : A 6 TYR OH : rot 69:sc= 1.21 USER MOD Single : A 16 SER OG : rot 146:sc= 0.65 USER MOD Single : A 19 LYS NZ :NH3+ -110:sc= 1.03 (180deg=-0.0383) USER MOD Single : A 21 THR OG1 : rot 170:sc= -0.604 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 0.522 (180deg=0.398) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.02 K(o=-1,f=-5.2!) USER MOD Single : A 40 ASN : amide:sc= 0.639 K(o=0.64,f=-5.6!) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= -0.0158 (180deg=-0.248) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -81:sc= 0.663 USER MOD Single : A 53 ASN : amide:sc= -0.043 X(o=-0.043,f=-0.51) USER MOD Single : A 56 TYR OH : rot -99:sc= 0.665 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0.735 (180deg=0.735) USER MOD Single : A 58 MET CE :methyl -174:sc= -0.433 (180deg=-0.583) USER MOD Single : A 61 TYR OH : rot 60:sc= 0.0903 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.856 K(o=0.86,f=-7.6!) USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= 0.554 (180deg=0.282) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.387 USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 0.784 (180deg=0.776) USER MOD Single : A 83 GLN : amide:sc= 0.399 K(o=0.4,f=-4.4!) USER MOD Single : A 86 THR OG1 : rot -32:sc= 0.41 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 48:sc= -0.265 USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 0.773 (180deg=0.772) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0.682 K(o=0.93,f=-3.6!) USER MOD Single : A 97 THR OG1 : rot 76:sc= 0.492 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 163:sc= -0.0131 (180deg=-0.179) USER MOD Single : A 108 LYS NZ :NH3+ 153:sc= 0.79 (180deg=0.265) USER MOD Single : A 109 LYS NZ :NH3+ 169:sc= 1.02 (180deg=0.874) USER MOD Single : A 115 GLN : amide:sc= 0.0571 X(o=0.057,f=-0.21) USER MOD Single : A 116 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0241) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -157:sc= -0.149 (180deg=-0.603) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.960 -9.292 16.645 1.00 74.44 N ATOM 2 CA MET A 1 4.477 -9.170 15.269 1.00 24.32 C ATOM 3 C MET A 1 5.546 -10.221 15.017 1.00 44.03 C ATOM 4 O MET A 1 6.703 -10.067 15.419 1.00 61.04 O ATOM 5 CB MET A 1 5.023 -7.756 15.019 1.00 41.02 C ATOM 6 CG MET A 1 3.937 -6.686 14.970 1.00 13.22 C ATOM 7 SD MET A 1 4.582 -4.999 15.009 1.00 35.23 S ATOM 8 CE MET A 1 5.471 -4.887 13.459 1.00 71.24 C ATOM 0 H1 MET A 1 3.055 -8.785 16.722 1.00 74.44 H new ATOM 0 H2 MET A 1 3.814 -10.296 16.873 1.00 74.44 H new ATOM 0 H3 MET A 1 4.645 -8.881 17.311 1.00 74.44 H new ATOM 0 HA MET A 1 3.658 -9.339 14.570 1.00 24.32 H new ATOM 0 HB2 MET A 1 5.734 -7.505 15.806 1.00 41.02 H new ATOM 0 HB3 MET A 1 5.573 -7.748 14.078 1.00 41.02 H new ATOM 0 HG2 MET A 1 3.347 -6.820 14.063 1.00 13.22 H new ATOM 0 HG3 MET A 1 3.261 -6.827 15.813 1.00 13.22 H new ATOM 0 HE1 MET A 1 5.560 -3.841 13.165 1.00 71.24 H new ATOM 0 HE2 MET A 1 6.466 -5.316 13.578 1.00 71.24 H new ATOM 0 HE3 MET A 1 4.929 -5.435 12.688 1.00 71.24 H new ATOM 20 N LYS A 2 5.124 -11.308 14.371 1.00 12.31 N ATOM 21 CA LYS A 2 6.011 -12.410 14.006 1.00 32.33 C ATOM 22 C LYS A 2 6.767 -12.058 12.737 1.00 74.30 C ATOM 23 O LYS A 2 6.243 -11.332 11.896 1.00 44.34 O ATOM 24 CB LYS A 2 5.207 -13.692 13.756 1.00 53.51 C ATOM 25 CG LYS A 2 4.415 -14.183 14.953 1.00 52.11 C ATOM 26 CD LYS A 2 3.622 -15.436 14.614 1.00 41.00 C ATOM 27 CE LYS A 2 2.831 -15.947 15.810 1.00 53.03 C ATOM 28 NZ LYS A 2 3.717 -16.432 16.902 1.00 44.42 N ATOM 0 H LYS A 2 4.155 -11.448 14.086 1.00 12.31 H new ATOM 0 HA LYS A 2 6.707 -12.575 14.829 1.00 32.33 H new ATOM 0 HB2 LYS A 2 4.520 -13.519 12.928 1.00 53.51 H new ATOM 0 HB3 LYS A 2 5.892 -14.480 13.442 1.00 53.51 H new ATOM 0 HG2 LYS A 2 5.094 -14.392 15.780 1.00 52.11 H new ATOM 0 HG3 LYS A 2 3.736 -13.400 15.289 1.00 52.11 H new ATOM 0 HD2 LYS A 2 2.939 -15.222 13.792 1.00 41.00 H new ATOM 0 HD3 LYS A 2 4.303 -16.214 14.269 1.00 41.00 H new ATOM 0 HE2 LYS A 2 2.193 -15.149 16.189 1.00 53.03 H new ATOM 0 HE3 LYS A 2 2.174 -16.756 15.491 1.00 53.03 H new ATOM 0 HZ1 LYS A 2 3.144 -16.908 17.628 1.00 44.42 H new ATOM 0 HZ2 LYS A 2 4.411 -17.102 16.514 1.00 44.42 H new ATOM 0 HZ3 LYS A 2 4.215 -15.625 17.329 1.00 44.42 H new ATOM 42 N ASP A 3 7.987 -12.558 12.591 1.00 73.52 N ATOM 43 CA ASP A 3 8.757 -12.326 11.377 1.00 73.32 C ATOM 44 C ASP A 3 8.195 -13.139 10.194 1.00 21.25 C ATOM 45 O ASP A 3 8.428 -14.341 10.040 1.00 70.11 O ATOM 46 CB ASP A 3 10.269 -12.559 11.601 1.00 73.03 C ATOM 47 CG ASP A 3 10.635 -13.944 12.102 1.00 0.13 C ATOM 48 OD1 ASP A 3 10.335 -14.262 13.269 1.00 10.34 O ATOM 49 OD2 ASP A 3 11.252 -14.703 11.334 1.00 21.31 O ATOM 0 H ASP A 3 8.462 -13.124 13.294 1.00 73.52 H new ATOM 0 HA ASP A 3 8.651 -11.274 11.112 1.00 73.32 H new ATOM 0 HB2 ASP A 3 10.793 -12.378 10.662 1.00 73.03 H new ATOM 0 HB3 ASP A 3 10.633 -11.822 12.316 1.00 73.03 H new ATOM 54 N GLY A 4 7.382 -12.448 9.407 1.00 43.24 N ATOM 55 CA GLY A 4 6.792 -12.997 8.211 1.00 52.44 C ATOM 56 C GLY A 4 6.438 -11.880 7.260 1.00 24.02 C ATOM 57 O GLY A 4 6.975 -10.781 7.376 1.00 4.14 O ATOM 0 H GLY A 4 7.116 -11.481 9.590 1.00 43.24 H new ATOM 0 HA2 GLY A 4 7.488 -13.687 7.734 1.00 52.44 H new ATOM 0 HA3 GLY A 4 5.899 -13.569 8.464 1.00 52.44 H new ATOM 61 N THR A 5 5.550 -12.120 6.320 1.00 44.41 N ATOM 62 CA THR A 5 5.143 -11.057 5.425 1.00 54.21 C ATOM 63 C THR A 5 3.629 -10.987 5.319 1.00 72.13 C ATOM 64 O THR A 5 2.975 -11.875 4.765 1.00 53.43 O ATOM 65 CB THR A 5 5.771 -11.183 4.024 1.00 60.11 C ATOM 66 OG1 THR A 5 7.158 -11.553 4.123 1.00 63.24 O ATOM 67 CG2 THR A 5 5.668 -9.851 3.299 1.00 1.44 C ATOM 0 H THR A 5 5.103 -13.022 6.156 1.00 44.41 H new ATOM 0 HA THR A 5 5.514 -10.129 5.860 1.00 54.21 H new ATOM 0 HB THR A 5 5.233 -11.954 3.472 1.00 60.11 H new ATOM 0 HG1 THR A 5 7.679 -11.046 3.466 1.00 63.24 H new ATOM 0 HG21 THR A 5 6.113 -9.941 2.308 1.00 1.44 H new ATOM 0 HG22 THR A 5 4.619 -9.570 3.202 1.00 1.44 H new ATOM 0 HG23 THR A 5 6.198 -9.086 3.866 1.00 1.44 H new ATOM 75 N TYR A 6 3.098 -9.905 5.850 1.00 73.10 N ATOM 76 CA TYR A 6 1.670 -9.660 5.888 1.00 10.10 C ATOM 77 C TYR A 6 1.282 -8.913 4.643 1.00 15.35 C ATOM 78 O TYR A 6 2.058 -8.128 4.131 1.00 33.15 O ATOM 79 CB TYR A 6 1.302 -8.791 7.095 1.00 53.14 C ATOM 80 CG TYR A 6 2.058 -9.073 8.367 1.00 1.23 C ATOM 81 CD1 TYR A 6 2.081 -10.328 8.949 1.00 75.41 C ATOM 82 CD2 TYR A 6 2.727 -8.054 8.998 1.00 4.31 C ATOM 83 CE1 TYR A 6 2.750 -10.550 10.128 1.00 2.43 C ATOM 84 CE2 TYR A 6 3.398 -8.272 10.166 1.00 30.22 C ATOM 85 CZ TYR A 6 3.409 -9.509 10.730 1.00 43.23 C ATOM 86 OH TYR A 6 4.054 -9.691 11.924 1.00 30.12 O ATOM 0 H TYR A 6 3.653 -9.161 6.273 1.00 73.10 H new ATOM 0 HA TYR A 6 1.150 -10.615 5.959 1.00 10.10 H new ATOM 0 HB2 TYR A 6 1.459 -7.746 6.827 1.00 53.14 H new ATOM 0 HB3 TYR A 6 0.237 -8.913 7.294 1.00 53.14 H new ATOM 0 HD1 TYR A 6 1.565 -11.146 8.469 1.00 75.41 H new ATOM 0 HD2 TYR A 6 2.722 -7.065 8.564 1.00 4.31 H new ATOM 0 HE1 TYR A 6 2.757 -11.533 10.576 1.00 2.43 H new ATOM 0 HE2 TYR A 6 3.923 -7.458 10.645 1.00 30.22 H new ATOM 0 HH TYR A 6 4.835 -10.268 11.789 1.00 30.12 H new ATOM 96 N TYR A 7 0.104 -9.170 4.151 1.00 45.14 N ATOM 97 CA TYR A 7 -0.402 -8.466 3.002 1.00 3.11 C ATOM 98 C TYR A 7 -1.884 -8.191 3.217 1.00 33.44 C ATOM 99 O TYR A 7 -2.583 -8.999 3.842 1.00 53.53 O ATOM 100 CB TYR A 7 -0.071 -9.288 1.722 1.00 52.22 C ATOM 101 CG TYR A 7 -1.202 -9.556 0.749 1.00 62.14 C ATOM 102 CD1 TYR A 7 -2.111 -10.575 0.989 1.00 25.41 C ATOM 103 CD2 TYR A 7 -1.338 -8.813 -0.410 1.00 63.42 C ATOM 104 CE1 TYR A 7 -3.136 -10.844 0.105 1.00 5.31 C ATOM 105 CE2 TYR A 7 -2.355 -9.078 -1.304 1.00 21.52 C ATOM 106 CZ TYR A 7 -3.252 -10.093 -1.043 1.00 1.11 C ATOM 107 OH TYR A 7 -4.266 -10.362 -1.937 1.00 14.21 O ATOM 0 H TYR A 7 -0.533 -9.870 4.531 1.00 45.14 H new ATOM 0 HA TYR A 7 0.073 -7.495 2.866 1.00 3.11 H new ATOM 0 HB2 TYR A 7 0.720 -8.766 1.183 1.00 52.22 H new ATOM 0 HB3 TYR A 7 0.337 -10.249 2.036 1.00 52.22 H new ATOM 0 HD1 TYR A 7 -2.015 -11.170 1.885 1.00 25.41 H new ATOM 0 HD2 TYR A 7 -0.640 -8.016 -0.618 1.00 63.42 H new ATOM 0 HE1 TYR A 7 -3.840 -11.636 0.312 1.00 5.31 H new ATOM 0 HE2 TYR A 7 -2.449 -8.492 -2.206 1.00 21.52 H new ATOM 0 HH TYR A 7 -5.128 -10.337 -1.471 1.00 14.21 H new ATOM 117 N ALA A 8 -2.348 -7.042 2.760 1.00 1.32 N ATOM 118 CA ALA A 8 -3.763 -6.755 2.758 1.00 3.41 C ATOM 119 C ALA A 8 -4.148 -6.154 1.440 1.00 42.34 C ATOM 120 O ALA A 8 -3.376 -5.421 0.833 1.00 1.51 O ATOM 121 CB ALA A 8 -4.140 -5.823 3.884 1.00 44.13 C ATOM 0 H ALA A 8 -1.762 -6.295 2.386 1.00 1.32 H new ATOM 0 HA ALA A 8 -4.303 -7.690 2.909 1.00 3.41 H new ATOM 0 HB1 ALA A 8 -5.212 -5.629 3.852 1.00 44.13 H new ATOM 0 HB2 ALA A 8 -3.883 -6.283 4.838 1.00 44.13 H new ATOM 0 HB3 ALA A 8 -3.598 -4.884 3.776 1.00 44.13 H new ATOM 127 N GLU A 9 -5.349 -6.460 1.017 1.00 1.14 N ATOM 128 CA GLU A 9 -5.873 -5.969 -0.232 1.00 32.41 C ATOM 129 C GLU A 9 -7.014 -5.011 0.074 1.00 72.35 C ATOM 130 O GLU A 9 -7.726 -5.197 1.076 1.00 70.41 O ATOM 131 CB GLU A 9 -6.327 -7.156 -1.089 1.00 65.41 C ATOM 132 CG GLU A 9 -7.381 -8.027 -0.430 1.00 0.03 C ATOM 133 CD GLU A 9 -7.563 -9.358 -1.114 1.00 75.42 C ATOM 134 OE1 GLU A 9 -8.382 -9.450 -2.049 1.00 65.00 O ATOM 135 OE2 GLU A 9 -6.893 -10.320 -0.704 1.00 64.13 O ATOM 0 H GLU A 9 -5.993 -7.060 1.532 1.00 1.14 H new ATOM 0 HA GLU A 9 -5.114 -5.429 -0.798 1.00 32.41 H new ATOM 0 HB2 GLU A 9 -6.720 -6.780 -2.033 1.00 65.41 H new ATOM 0 HB3 GLU A 9 -5.459 -7.771 -1.328 1.00 65.41 H new ATOM 0 HG2 GLU A 9 -7.105 -8.195 0.611 1.00 0.03 H new ATOM 0 HG3 GLU A 9 -8.332 -7.495 -0.426 1.00 0.03 H new ATOM 142 N ALA A 10 -7.121 -3.948 -0.741 1.00 5.02 N ATOM 143 CA ALA A 10 -8.106 -2.874 -0.542 1.00 5.00 C ATOM 144 C ALA A 10 -9.530 -3.422 -0.532 1.00 53.55 C ATOM 145 O ALA A 10 -9.809 -4.425 -1.188 1.00 4.11 O ATOM 146 CB ALA A 10 -7.934 -1.788 -1.607 1.00 73.31 C ATOM 0 H ALA A 10 -6.525 -3.810 -1.557 1.00 5.02 H new ATOM 0 HA ALA A 10 -7.927 -2.424 0.435 1.00 5.00 H new ATOM 0 HB1 ALA A 10 -8.670 -1.001 -1.446 1.00 73.31 H new ATOM 0 HB2 ALA A 10 -6.931 -1.367 -1.538 1.00 73.31 H new ATOM 0 HB3 ALA A 10 -8.078 -2.222 -2.596 1.00 73.31 H new ATOM 152 N ASP A 11 -10.404 -2.785 0.248 1.00 74.33 N ATOM 153 CA ASP A 11 -11.764 -3.287 0.489 1.00 50.10 C ATOM 154 C ASP A 11 -12.575 -3.337 -0.810 1.00 41.32 C ATOM 155 O ASP A 11 -13.264 -4.321 -1.084 1.00 73.41 O ATOM 156 CB ASP A 11 -12.457 -2.413 1.536 1.00 51.53 C ATOM 157 CG ASP A 11 -13.710 -3.048 2.099 1.00 13.12 C ATOM 158 OD1 ASP A 11 -13.595 -4.078 2.785 1.00 41.32 O ATOM 159 OD2 ASP A 11 -14.809 -2.504 1.890 1.00 23.50 O ATOM 0 H ASP A 11 -10.194 -1.911 0.730 1.00 74.33 H new ATOM 0 HA ASP A 11 -11.698 -4.307 0.868 1.00 50.10 H new ATOM 0 HB2 ASP A 11 -11.761 -2.210 2.350 1.00 51.53 H new ATOM 0 HB3 ASP A 11 -12.712 -1.453 1.088 1.00 51.53 H new ATOM 164 N ASP A 12 -12.428 -2.296 -1.622 1.00 30.22 N ATOM 165 CA ASP A 12 -12.987 -2.271 -2.968 1.00 44.13 C ATOM 166 C ASP A 12 -11.850 -2.175 -3.988 1.00 43.24 C ATOM 167 O ASP A 12 -10.684 -2.416 -3.658 1.00 53.53 O ATOM 168 CB ASP A 12 -13.945 -1.082 -3.138 1.00 3.52 C ATOM 169 CG ASP A 12 -15.146 -1.145 -2.221 1.00 25.43 C ATOM 170 OD1 ASP A 12 -15.983 -2.053 -2.389 1.00 53.45 O ATOM 171 OD2 ASP A 12 -15.272 -0.271 -1.345 1.00 52.42 O ATOM 0 H ASP A 12 -11.920 -1.449 -1.367 1.00 30.22 H new ATOM 0 HA ASP A 12 -13.551 -3.189 -3.132 1.00 44.13 H new ATOM 0 HB2 ASP A 12 -13.401 -0.156 -2.950 1.00 3.52 H new ATOM 0 HB3 ASP A 12 -14.288 -1.046 -4.172 1.00 3.52 H new ATOM 176 N PHE A 13 -12.193 -1.867 -5.233 1.00 71.33 N ATOM 177 CA PHE A 13 -11.204 -1.522 -6.252 1.00 63.20 C ATOM 178 C PHE A 13 -11.135 -0.005 -6.385 1.00 40.24 C ATOM 179 O PHE A 13 -12.107 0.688 -6.073 1.00 54.03 O ATOM 180 CB PHE A 13 -11.556 -2.151 -7.614 1.00 31.54 C ATOM 181 CG PHE A 13 -11.398 -3.650 -7.674 1.00 23.03 C ATOM 182 CD1 PHE A 13 -12.445 -4.492 -7.329 1.00 54.44 C ATOM 183 CD2 PHE A 13 -10.202 -4.211 -8.078 1.00 41.02 C ATOM 184 CE1 PHE A 13 -12.294 -5.863 -7.388 1.00 22.55 C ATOM 185 CE2 PHE A 13 -10.045 -5.580 -8.140 1.00 34.12 C ATOM 186 CZ PHE A 13 -11.091 -6.405 -7.792 1.00 60.13 C ATOM 0 H PHE A 13 -13.157 -1.849 -5.565 1.00 71.33 H new ATOM 0 HA PHE A 13 -10.236 -1.917 -5.944 1.00 63.20 H new ATOM 0 HB2 PHE A 13 -12.587 -1.898 -7.861 1.00 31.54 H new ATOM 0 HB3 PHE A 13 -10.925 -1.701 -8.381 1.00 31.54 H new ATOM 0 HD1 PHE A 13 -13.387 -4.071 -7.011 1.00 54.44 H new ATOM 0 HD2 PHE A 13 -9.378 -3.568 -8.349 1.00 41.02 H new ATOM 0 HE1 PHE A 13 -13.116 -6.510 -7.119 1.00 22.55 H new ATOM 0 HE2 PHE A 13 -9.105 -6.003 -8.460 1.00 34.12 H new ATOM 0 HZ PHE A 13 -10.970 -7.477 -7.835 1.00 60.13 H new ATOM 196 N ASP A 14 -9.998 0.514 -6.838 1.00 52.14 N ATOM 197 CA ASP A 14 -9.855 1.950 -7.061 1.00 23.20 C ATOM 198 C ASP A 14 -10.350 2.300 -8.478 1.00 55.23 C ATOM 199 O ASP A 14 -10.905 1.439 -9.170 1.00 30.54 O ATOM 200 CB ASP A 14 -8.395 2.386 -6.841 1.00 4.21 C ATOM 201 CG ASP A 14 -8.281 3.838 -6.393 1.00 34.02 C ATOM 202 OD1 ASP A 14 -8.476 4.114 -5.190 1.00 23.22 O ATOM 203 OD2 ASP A 14 -8.007 4.710 -7.241 1.00 33.40 O ATOM 0 H ASP A 14 -9.166 -0.034 -7.057 1.00 52.14 H new ATOM 0 HA ASP A 14 -10.465 2.496 -6.342 1.00 23.20 H new ATOM 0 HB2 ASP A 14 -7.935 1.741 -6.092 1.00 4.21 H new ATOM 0 HB3 ASP A 14 -7.835 2.250 -7.766 1.00 4.21 H new ATOM 208 N GLU A 15 -10.127 3.545 -8.904 1.00 11.33 N ATOM 209 CA GLU A 15 -10.690 4.091 -10.142 1.00 3.11 C ATOM 210 C GLU A 15 -10.207 3.359 -11.394 1.00 45.53 C ATOM 211 O GLU A 15 -11.012 3.033 -12.262 1.00 72.12 O ATOM 212 CB GLU A 15 -10.357 5.579 -10.245 1.00 51.33 C ATOM 213 CG GLU A 15 -10.968 6.436 -9.146 1.00 3.42 C ATOM 214 CD GLU A 15 -12.485 6.440 -9.176 1.00 4.10 C ATOM 215 OE1 GLU A 15 -13.063 7.256 -9.920 1.00 75.05 O ATOM 216 OE2 GLU A 15 -13.104 5.632 -8.456 1.00 33.01 O ATOM 0 H GLU A 15 -9.545 4.210 -8.395 1.00 11.33 H new ATOM 0 HA GLU A 15 -11.769 3.947 -10.093 1.00 3.11 H new ATOM 0 HB2 GLU A 15 -9.274 5.699 -10.223 1.00 51.33 H new ATOM 0 HB3 GLU A 15 -10.699 5.950 -11.211 1.00 51.33 H new ATOM 0 HG2 GLU A 15 -10.630 6.070 -8.176 1.00 3.42 H new ATOM 0 HG3 GLU A 15 -10.605 7.459 -9.245 1.00 3.42 H new ATOM 223 N SER A 16 -8.915 3.047 -11.449 1.00 42.22 N ATOM 224 CA SER A 16 -8.313 2.367 -12.597 1.00 40.23 C ATOM 225 C SER A 16 -8.537 0.844 -12.578 1.00 52.41 C ATOM 226 O SER A 16 -8.053 0.132 -13.472 1.00 61.11 O ATOM 227 CB SER A 16 -6.827 2.685 -12.636 1.00 75.14 C ATOM 228 OG SER A 16 -6.304 2.707 -11.317 1.00 54.53 O ATOM 0 H SER A 16 -8.255 3.257 -10.701 1.00 42.22 H new ATOM 0 HA SER A 16 -8.804 2.736 -13.497 1.00 40.23 H new ATOM 0 HB2 SER A 16 -6.302 1.939 -13.233 1.00 75.14 H new ATOM 0 HB3 SER A 16 -6.665 3.650 -13.117 1.00 75.14 H new ATOM 0 HG SER A 16 -5.384 2.370 -11.324 1.00 54.53 H new ATOM 234 N GLY A 17 -9.275 0.354 -11.571 1.00 41.34 N ATOM 235 CA GLY A 17 -9.662 -1.048 -11.512 1.00 65.10 C ATOM 236 C GLY A 17 -8.631 -1.933 -10.854 1.00 14.14 C ATOM 237 O GLY A 17 -8.512 -3.106 -11.194 1.00 52.33 O ATOM 0 H GLY A 17 -9.612 0.915 -10.789 1.00 41.34 H new ATOM 0 HA2 GLY A 17 -10.603 -1.134 -10.968 1.00 65.10 H new ATOM 0 HA3 GLY A 17 -9.845 -1.409 -12.524 1.00 65.10 H new ATOM 241 N TRP A 18 -7.878 -1.366 -9.927 1.00 43.43 N ATOM 242 CA TRP A 18 -6.861 -2.110 -9.206 1.00 64.02 C ATOM 243 C TRP A 18 -7.190 -2.143 -7.719 1.00 12.14 C ATOM 244 O TRP A 18 -7.615 -1.145 -7.142 1.00 73.04 O ATOM 245 CB TRP A 18 -5.476 -1.488 -9.393 1.00 61.42 C ATOM 246 CG TRP A 18 -4.926 -1.454 -10.800 1.00 51.13 C ATOM 247 CD1 TRP A 18 -5.238 -0.563 -11.785 1.00 10.04 C ATOM 248 CD2 TRP A 18 -3.920 -2.311 -11.351 1.00 44.32 C ATOM 249 NE1 TRP A 18 -4.506 -0.825 -12.917 1.00 15.43 N ATOM 250 CE2 TRP A 18 -3.689 -1.891 -12.675 1.00 1.43 C ATOM 251 CE3 TRP A 18 -3.197 -3.393 -10.861 1.00 4.21 C ATOM 252 CZ2 TRP A 18 -2.770 -2.519 -13.506 1.00 54.00 C ATOM 253 CZ3 TRP A 18 -2.286 -4.015 -11.687 1.00 30.25 C ATOM 254 CH2 TRP A 18 -2.077 -3.575 -12.997 1.00 52.12 C ATOM 0 H TRP A 18 -7.953 -0.386 -9.655 1.00 43.43 H new ATOM 0 HA TRP A 18 -6.848 -3.123 -9.609 1.00 64.02 H new ATOM 0 HB2 TRP A 18 -5.510 -0.465 -9.017 1.00 61.42 H new ATOM 0 HB3 TRP A 18 -4.771 -2.035 -8.766 1.00 61.42 H new ATOM 0 HD1 TRP A 18 -5.959 0.235 -11.688 1.00 10.04 H new ATOM 0 HE1 TRP A 18 -4.563 -0.308 -13.794 1.00 15.43 H new ATOM 0 HE3 TRP A 18 -3.347 -3.740 -9.849 1.00 4.21 H new ATOM 0 HZ2 TRP A 18 -2.611 -2.182 -14.520 1.00 54.00 H new ATOM 0 HZ3 TRP A 18 -1.723 -4.858 -11.315 1.00 30.25 H new ATOM 0 HH2 TRP A 18 -1.352 -4.082 -13.617 1.00 52.12 H new ATOM 265 N LYS A 19 -7.021 -3.307 -7.124 1.00 73.11 N ATOM 266 CA LYS A 19 -7.179 -3.488 -5.694 1.00 22.30 C ATOM 267 C LYS A 19 -5.826 -3.295 -5.033 1.00 70.24 C ATOM 268 O LYS A 19 -4.983 -4.186 -5.080 1.00 22.52 O ATOM 269 CB LYS A 19 -7.747 -4.883 -5.412 1.00 55.30 C ATOM 270 CG LYS A 19 -8.096 -5.147 -3.960 1.00 43.42 C ATOM 271 CD LYS A 19 -8.690 -6.538 -3.788 1.00 54.21 C ATOM 272 CE LYS A 19 -10.140 -6.608 -4.236 1.00 4.13 C ATOM 273 NZ LYS A 19 -11.049 -5.964 -3.261 1.00 32.33 N ATOM 0 H LYS A 19 -6.768 -4.160 -7.623 1.00 73.11 H new ATOM 0 HA LYS A 19 -7.878 -2.757 -5.287 1.00 22.30 H new ATOM 0 HB2 LYS A 19 -8.642 -5.024 -6.018 1.00 55.30 H new ATOM 0 HB3 LYS A 19 -7.021 -5.628 -5.738 1.00 55.30 H new ATOM 0 HG2 LYS A 19 -7.202 -5.050 -3.344 1.00 43.42 H new ATOM 0 HG3 LYS A 19 -8.807 -4.398 -3.611 1.00 43.42 H new ATOM 0 HD2 LYS A 19 -8.101 -7.255 -4.360 1.00 54.21 H new ATOM 0 HD3 LYS A 19 -8.621 -6.832 -2.741 1.00 54.21 H new ATOM 0 HE2 LYS A 19 -10.244 -6.122 -5.206 1.00 4.13 H new ATOM 0 HE3 LYS A 19 -10.429 -7.650 -4.369 1.00 4.13 H new ATOM 0 HZ1 LYS A 19 -11.622 -6.692 -2.787 1.00 32.33 H new ATOM 0 HZ2 LYS A 19 -10.489 -5.448 -2.552 1.00 32.33 H new ATOM 0 HZ3 LYS A 19 -11.676 -5.299 -3.758 1.00 32.33 H new ATOM 287 N ASP A 20 -5.625 -2.119 -4.454 1.00 30.23 N ATOM 288 CA ASP A 20 -4.322 -1.725 -3.912 1.00 43.45 C ATOM 289 C ASP A 20 -3.945 -2.539 -2.695 1.00 12.34 C ATOM 290 O ASP A 20 -4.710 -2.655 -1.747 1.00 32.04 O ATOM 291 CB ASP A 20 -4.326 -0.254 -3.542 1.00 62.40 C ATOM 292 CG ASP A 20 -4.388 0.637 -4.751 1.00 73.13 C ATOM 293 OD1 ASP A 20 -5.499 0.833 -5.283 1.00 33.02 O ATOM 294 OD2 ASP A 20 -3.337 1.179 -5.139 1.00 73.50 O ATOM 0 H ASP A 20 -6.352 -1.412 -4.345 1.00 30.23 H new ATOM 0 HA ASP A 20 -3.584 -1.912 -4.692 1.00 43.45 H new ATOM 0 HB2 ASP A 20 -5.179 -0.046 -2.896 1.00 62.40 H new ATOM 0 HB3 ASP A 20 -3.428 -0.023 -2.969 1.00 62.40 H new ATOM 299 N THR A 21 -2.750 -3.080 -2.727 1.00 75.14 N ATOM 300 CA THR A 21 -2.297 -3.972 -1.688 1.00 62.34 C ATOM 301 C THR A 21 -1.046 -3.411 -1.027 1.00 4.22 C ATOM 302 O THR A 21 -0.126 -2.930 -1.699 1.00 22.02 O ATOM 303 CB THR A 21 -2.016 -5.409 -2.222 1.00 63.04 C ATOM 304 OG1 THR A 21 -0.979 -5.396 -3.200 1.00 45.34 O ATOM 305 CG2 THR A 21 -3.256 -6.026 -2.843 1.00 30.12 C ATOM 0 H THR A 21 -2.069 -2.915 -3.469 1.00 75.14 H new ATOM 0 HA THR A 21 -3.100 -4.048 -0.955 1.00 62.34 H new ATOM 0 HB THR A 21 -1.709 -6.007 -1.364 1.00 63.04 H new ATOM 0 HG1 THR A 21 -0.709 -6.316 -3.403 1.00 45.34 H new ATOM 0 HG21 THR A 21 -3.022 -7.027 -3.204 1.00 30.12 H new ATOM 0 HG22 THR A 21 -4.046 -6.085 -2.095 1.00 30.12 H new ATOM 0 HG23 THR A 21 -3.591 -5.409 -3.677 1.00 30.12 H new ATOM 313 N VAL A 22 -1.021 -3.483 0.288 1.00 21.31 N ATOM 314 CA VAL A 22 0.116 -3.018 1.062 1.00 34.44 C ATOM 315 C VAL A 22 0.715 -4.209 1.791 1.00 55.13 C ATOM 316 O VAL A 22 0.098 -4.801 2.682 1.00 4.31 O ATOM 317 CB VAL A 22 -0.267 -1.881 2.055 1.00 23.33 C ATOM 318 CG1 VAL A 22 0.939 -1.441 2.869 1.00 52.51 C ATOM 319 CG2 VAL A 22 -0.836 -0.681 1.307 1.00 13.34 C ATOM 0 H VAL A 22 -1.783 -3.863 0.850 1.00 21.31 H new ATOM 0 HA VAL A 22 0.852 -2.584 0.385 1.00 34.44 H new ATOM 0 HB VAL A 22 -1.026 -2.276 2.730 1.00 23.33 H new ATOM 0 HG11 VAL A 22 0.645 -0.646 3.555 1.00 52.51 H new ATOM 0 HG12 VAL A 22 1.322 -2.288 3.438 1.00 52.51 H new ATOM 0 HG13 VAL A 22 1.716 -1.073 2.199 1.00 52.51 H new ATOM 0 HG21 VAL A 22 -1.097 0.102 2.019 1.00 13.34 H new ATOM 0 HG22 VAL A 22 -0.091 -0.301 0.608 1.00 13.34 H new ATOM 0 HG23 VAL A 22 -1.728 -0.984 0.758 1.00 13.34 H new ATOM 329 N THR A 23 1.901 -4.585 1.343 1.00 23.30 N ATOM 330 CA THR A 23 2.569 -5.768 1.834 1.00 51.20 C ATOM 331 C THR A 23 3.673 -5.386 2.825 1.00 74.42 C ATOM 332 O THR A 23 4.674 -4.810 2.459 1.00 30.00 O ATOM 333 CB THR A 23 3.142 -6.568 0.645 1.00 0.41 C ATOM 334 OG1 THR A 23 2.128 -6.742 -0.357 1.00 1.24 O ATOM 335 CG2 THR A 23 3.629 -7.930 1.089 1.00 41.21 C ATOM 0 H THR A 23 2.423 -4.076 0.630 1.00 23.30 H new ATOM 0 HA THR A 23 1.851 -6.395 2.362 1.00 51.20 H new ATOM 0 HB THR A 23 3.983 -6.008 0.237 1.00 0.41 H new ATOM 0 HG1 THR A 23 2.496 -7.249 -1.111 1.00 1.24 H new ATOM 0 HG21 THR A 23 4.027 -8.471 0.231 1.00 41.21 H new ATOM 0 HG22 THR A 23 4.412 -7.810 1.838 1.00 41.21 H new ATOM 0 HG23 THR A 23 2.799 -8.491 1.519 1.00 41.21 H new ATOM 343 N ILE A 24 3.465 -5.719 4.083 1.00 65.01 N ATOM 344 CA ILE A 24 4.377 -5.350 5.154 1.00 12.42 C ATOM 345 C ILE A 24 5.341 -6.504 5.433 1.00 74.13 C ATOM 346 O ILE A 24 4.922 -7.573 5.874 1.00 52.44 O ATOM 347 CB ILE A 24 3.581 -5.005 6.449 1.00 23.34 C ATOM 348 CG1 ILE A 24 2.528 -3.917 6.161 1.00 32.32 C ATOM 349 CG2 ILE A 24 4.515 -4.583 7.586 1.00 54.44 C ATOM 350 CD1 ILE A 24 3.097 -2.560 5.779 1.00 50.33 C ATOM 0 H ILE A 24 2.656 -6.256 4.396 1.00 65.01 H new ATOM 0 HA ILE A 24 4.943 -4.471 4.845 1.00 12.42 H new ATOM 0 HB ILE A 24 3.062 -5.906 6.775 1.00 23.34 H new ATOM 0 HG12 ILE A 24 1.880 -4.263 5.355 1.00 32.32 H new ATOM 0 HG13 ILE A 24 1.901 -3.796 7.044 1.00 32.32 H new ATOM 0 HG21 ILE A 24 3.926 -4.350 8.473 1.00 54.44 H new ATOM 0 HG22 ILE A 24 5.204 -5.397 7.812 1.00 54.44 H new ATOM 0 HG23 ILE A 24 5.081 -3.702 7.284 1.00 54.44 H new ATOM 0 HD11 ILE A 24 2.280 -1.862 5.596 1.00 50.33 H new ATOM 0 HD12 ILE A 24 3.720 -2.185 6.591 1.00 50.33 H new ATOM 0 HD13 ILE A 24 3.699 -2.659 4.876 1.00 50.33 H new ATOM 362 N GLU A 25 6.628 -6.279 5.180 1.00 21.14 N ATOM 363 CA GLU A 25 7.633 -7.290 5.462 1.00 61.40 C ATOM 364 C GLU A 25 8.255 -7.041 6.832 1.00 54.02 C ATOM 365 O GLU A 25 8.989 -6.067 7.053 1.00 5.12 O ATOM 366 CB GLU A 25 8.711 -7.352 4.363 1.00 73.21 C ATOM 367 CG GLU A 25 9.852 -8.312 4.678 1.00 42.14 C ATOM 368 CD GLU A 25 10.696 -8.662 3.470 1.00 63.32 C ATOM 369 OE1 GLU A 25 11.143 -7.745 2.761 1.00 73.34 O ATOM 370 OE2 GLU A 25 10.921 -9.866 3.237 1.00 1.13 O ATOM 0 H GLU A 25 6.993 -5.413 4.784 1.00 21.14 H new ATOM 0 HA GLU A 25 7.139 -8.262 5.473 1.00 61.40 H new ATOM 0 HB2 GLU A 25 8.244 -7.652 3.425 1.00 73.21 H new ATOM 0 HB3 GLU A 25 9.120 -6.353 4.211 1.00 73.21 H new ATOM 0 HG2 GLU A 25 10.491 -7.867 5.441 1.00 42.14 H new ATOM 0 HG3 GLU A 25 9.440 -9.228 5.101 1.00 42.14 H new ATOM 377 N VAL A 26 7.911 -7.927 7.748 1.00 44.24 N ATOM 378 CA VAL A 26 8.445 -7.911 9.089 1.00 44.33 C ATOM 379 C VAL A 26 9.528 -8.978 9.215 1.00 21.44 C ATOM 380 O VAL A 26 9.303 -10.157 8.985 1.00 73.52 O ATOM 381 CB VAL A 26 7.303 -8.087 10.134 1.00 35.44 C ATOM 382 CG1 VAL A 26 7.811 -8.393 11.533 1.00 65.03 C ATOM 383 CG2 VAL A 26 6.471 -6.821 10.173 1.00 12.12 C ATOM 0 H VAL A 26 7.247 -8.682 7.577 1.00 44.24 H new ATOM 0 HA VAL A 26 8.906 -6.945 9.295 1.00 44.33 H new ATOM 0 HB VAL A 26 6.708 -8.944 9.818 1.00 35.44 H new ATOM 0 HG11 VAL A 26 6.965 -8.504 12.211 1.00 65.03 H new ATOM 0 HG12 VAL A 26 8.386 -9.319 11.517 1.00 65.03 H new ATOM 0 HG13 VAL A 26 8.447 -7.577 11.876 1.00 65.03 H new ATOM 0 HG21 VAL A 26 5.669 -6.935 10.902 1.00 12.12 H new ATOM 0 HG22 VAL A 26 7.103 -5.979 10.457 1.00 12.12 H new ATOM 0 HG23 VAL A 26 6.042 -6.637 9.188 1.00 12.12 H new ATOM 393 N LYS A 27 10.714 -8.528 9.539 1.00 4.20 N ATOM 394 CA LYS A 27 11.864 -9.383 9.675 1.00 62.45 C ATOM 395 C LYS A 27 12.593 -8.954 10.928 1.00 62.43 C ATOM 396 O LYS A 27 12.722 -7.753 11.170 1.00 22.12 O ATOM 397 CB LYS A 27 12.750 -9.223 8.446 1.00 74.14 C ATOM 398 CG LYS A 27 13.772 -10.323 8.229 1.00 11.04 C ATOM 399 CD LYS A 27 14.664 -10.037 7.013 1.00 44.51 C ATOM 400 CE LYS A 27 13.872 -9.659 5.751 1.00 2.54 C ATOM 401 NZ LYS A 27 13.030 -10.773 5.225 1.00 5.34 N ATOM 0 H LYS A 27 10.910 -7.543 9.718 1.00 4.20 H new ATOM 0 HA LYS A 27 11.581 -10.433 9.752 1.00 62.45 H new ATOM 0 HB2 LYS A 27 12.111 -9.165 7.564 1.00 74.14 H new ATOM 0 HB3 LYS A 27 13.277 -8.272 8.521 1.00 74.14 H new ATOM 0 HG2 LYS A 27 14.392 -10.424 9.120 1.00 11.04 H new ATOM 0 HG3 LYS A 27 13.259 -11.274 8.088 1.00 11.04 H new ATOM 0 HD2 LYS A 27 15.351 -9.227 7.258 1.00 44.51 H new ATOM 0 HD3 LYS A 27 15.271 -10.917 6.802 1.00 44.51 H new ATOM 0 HE2 LYS A 27 13.233 -8.804 5.974 1.00 2.54 H new ATOM 0 HE3 LYS A 27 14.569 -9.342 4.975 1.00 2.54 H new ATOM 0 HZ1 LYS A 27 12.329 -10.393 4.557 1.00 5.34 H new ATOM 0 HZ2 LYS A 27 13.634 -11.464 4.736 1.00 5.34 H new ATOM 0 HZ3 LYS A 27 12.539 -11.240 6.014 1.00 5.34 H new ATOM 415 N ASN A 28 13.021 -9.940 11.731 1.00 44.31 N ATOM 416 CA ASN A 28 13.678 -9.714 13.039 1.00 42.40 C ATOM 417 C ASN A 28 12.691 -9.103 14.054 1.00 53.24 C ATOM 418 O ASN A 28 13.100 -8.461 15.025 1.00 64.31 O ATOM 419 CB ASN A 28 14.943 -8.821 12.928 1.00 61.50 C ATOM 420 CG ASN A 28 16.031 -9.366 12.017 1.00 23.32 C ATOM 421 OD1 ASN A 28 16.868 -10.159 12.433 1.00 74.23 O ATOM 422 ND2 ASN A 28 16.050 -8.902 10.774 1.00 64.22 N ATOM 0 H ASN A 28 12.923 -10.927 11.494 1.00 44.31 H new ATOM 0 HA ASN A 28 13.999 -10.693 13.393 1.00 42.40 H new ATOM 0 HB2 ASN A 28 14.645 -7.837 12.566 1.00 61.50 H new ATOM 0 HB3 ASN A 28 15.360 -8.681 13.925 1.00 61.50 H new ATOM 0 HD21 ASN A 28 16.779 -9.205 10.128 1.00 64.22 H new ATOM 0 HD22 ASN A 28 15.336 -8.243 10.465 1.00 64.22 H new ATOM 429 N GLY A 29 11.390 -9.348 13.845 1.00 12.05 N ATOM 430 CA GLY A 29 10.360 -8.808 14.722 1.00 43.31 C ATOM 431 C GLY A 29 9.818 -7.442 14.319 1.00 24.23 C ATOM 432 O GLY A 29 8.755 -7.046 14.792 1.00 33.35 O ATOM 0 H GLY A 29 11.034 -9.916 13.076 1.00 12.05 H new ATOM 0 HA2 GLY A 29 9.530 -9.514 14.760 1.00 43.31 H new ATOM 0 HA3 GLY A 29 10.765 -8.737 15.732 1.00 43.31 H new ATOM 436 N LYS A 30 10.514 -6.732 13.433 1.00 21.14 N ATOM 437 CA LYS A 30 10.148 -5.354 13.094 1.00 2.34 C ATOM 438 C LYS A 30 9.968 -5.172 11.590 1.00 23.43 C ATOM 439 O LYS A 30 10.368 -6.026 10.817 1.00 24.20 O ATOM 440 CB LYS A 30 11.228 -4.400 13.611 1.00 62.31 C ATOM 441 CG LYS A 30 12.620 -4.665 13.042 1.00 4.32 C ATOM 442 CD LYS A 30 13.663 -3.737 13.635 1.00 50.04 C ATOM 443 CE LYS A 30 13.894 -4.017 15.110 1.00 72.15 C ATOM 444 NZ LYS A 30 14.942 -3.135 15.677 1.00 32.14 N ATOM 0 H LYS A 30 11.332 -7.085 12.937 1.00 21.14 H new ATOM 0 HA LYS A 30 9.193 -5.128 13.569 1.00 2.34 H new ATOM 0 HB2 LYS A 30 10.938 -3.377 13.372 1.00 62.31 H new ATOM 0 HB3 LYS A 30 11.272 -4.473 14.698 1.00 62.31 H new ATOM 0 HG2 LYS A 30 12.901 -5.699 13.239 1.00 4.32 H new ATOM 0 HG3 LYS A 30 12.599 -4.541 11.959 1.00 4.32 H new ATOM 0 HD2 LYS A 30 14.601 -3.851 13.092 1.00 50.04 H new ATOM 0 HD3 LYS A 30 13.344 -2.703 13.507 1.00 50.04 H new ATOM 0 HE2 LYS A 30 12.963 -3.874 15.658 1.00 72.15 H new ATOM 0 HE3 LYS A 30 14.185 -5.059 15.242 1.00 72.15 H new ATOM 0 HZ1 LYS A 30 15.072 -3.355 16.685 1.00 32.14 H new ATOM 0 HZ2 LYS A 30 15.837 -3.289 15.170 1.00 32.14 H new ATOM 0 HZ3 LYS A 30 14.653 -2.141 15.574 1.00 32.14 H new ATOM 458 N ILE A 31 9.375 -4.052 11.178 1.00 60.01 N ATOM 459 CA ILE A 31 9.216 -3.753 9.752 1.00 70.34 C ATOM 460 C ILE A 31 10.558 -3.323 9.157 1.00 14.02 C ATOM 461 O ILE A 31 11.116 -2.294 9.529 1.00 22.14 O ATOM 462 CB ILE A 31 8.164 -2.639 9.490 1.00 33.04 C ATOM 463 CG1 ILE A 31 6.850 -2.945 10.228 1.00 35.41 C ATOM 464 CG2 ILE A 31 7.915 -2.488 7.987 1.00 75.54 C ATOM 465 CD1 ILE A 31 5.809 -1.846 10.120 1.00 12.33 C ATOM 0 H ILE A 31 8.999 -3.340 11.805 1.00 60.01 H new ATOM 0 HA ILE A 31 8.861 -4.666 9.274 1.00 70.34 H new ATOM 0 HB ILE A 31 8.556 -1.697 9.874 1.00 33.04 H new ATOM 0 HG12 ILE A 31 6.430 -3.869 9.831 1.00 35.41 H new ATOM 0 HG13 ILE A 31 7.070 -3.121 11.281 1.00 35.41 H new ATOM 0 HG21 ILE A 31 7.176 -1.705 7.817 1.00 75.54 H new ATOM 0 HG22 ILE A 31 8.847 -2.222 7.489 1.00 75.54 H new ATOM 0 HG23 ILE A 31 7.544 -3.430 7.583 1.00 75.54 H new ATOM 0 HD11 ILE A 31 4.913 -2.139 10.667 1.00 12.33 H new ATOM 0 HD12 ILE A 31 6.208 -0.924 10.544 1.00 12.33 H new ATOM 0 HD13 ILE A 31 5.558 -1.684 9.072 1.00 12.33 H new ATOM 477 N VAL A 32 11.085 -4.122 8.249 1.00 74.35 N ATOM 478 CA VAL A 32 12.345 -3.785 7.602 1.00 51.42 C ATOM 479 C VAL A 32 12.100 -3.284 6.183 1.00 51.10 C ATOM 480 O VAL A 32 12.920 -2.553 5.625 1.00 31.51 O ATOM 481 CB VAL A 32 13.343 -4.979 7.581 1.00 54.13 C ATOM 482 CG1 VAL A 32 13.687 -5.409 8.998 1.00 34.22 C ATOM 483 CG2 VAL A 32 12.803 -6.157 6.779 1.00 33.03 C ATOM 0 H VAL A 32 10.668 -5.001 7.943 1.00 74.35 H new ATOM 0 HA VAL A 32 12.801 -2.991 8.194 1.00 51.42 H new ATOM 0 HB VAL A 32 14.252 -4.638 7.086 1.00 54.13 H new ATOM 0 HG11 VAL A 32 14.386 -6.245 8.965 1.00 34.22 H new ATOM 0 HG12 VAL A 32 14.144 -4.575 9.531 1.00 34.22 H new ATOM 0 HG13 VAL A 32 12.778 -5.716 9.516 1.00 34.22 H new ATOM 0 HG21 VAL A 32 13.531 -6.969 6.790 1.00 33.03 H new ATOM 0 HG22 VAL A 32 11.869 -6.501 7.222 1.00 33.03 H new ATOM 0 HG23 VAL A 32 12.623 -5.845 5.750 1.00 33.03 H new ATOM 493 N SER A 33 10.952 -3.672 5.618 1.00 42.52 N ATOM 494 CA SER A 33 10.645 -3.430 4.216 1.00 20.32 C ATOM 495 C SER A 33 9.142 -3.409 4.001 1.00 75.41 C ATOM 496 O SER A 33 8.374 -3.838 4.862 1.00 70.23 O ATOM 497 CB SER A 33 11.260 -4.523 3.332 1.00 70.41 C ATOM 498 OG SER A 33 12.677 -4.477 3.326 1.00 44.12 O ATOM 0 H SER A 33 10.214 -4.162 6.124 1.00 42.52 H new ATOM 0 HA SER A 33 11.068 -2.463 3.942 1.00 20.32 H new ATOM 0 HB2 SER A 33 10.932 -5.500 3.686 1.00 70.41 H new ATOM 0 HB3 SER A 33 10.891 -4.413 2.312 1.00 70.41 H new ATOM 0 HG SER A 33 13.025 -5.191 2.752 1.00 44.12 H new ATOM 504 N VAL A 34 8.734 -2.891 2.858 1.00 2.32 N ATOM 505 CA VAL A 34 7.340 -2.875 2.462 1.00 52.14 C ATOM 506 C VAL A 34 7.238 -2.915 0.927 1.00 33.23 C ATOM 507 O VAL A 34 8.051 -2.323 0.211 1.00 31.41 O ATOM 508 CB VAL A 34 6.593 -1.650 3.095 1.00 3.34 C ATOM 509 CG1 VAL A 34 7.306 -0.361 2.782 1.00 70.11 C ATOM 510 CG2 VAL A 34 5.130 -1.555 2.666 1.00 3.44 C ATOM 0 H VAL A 34 9.363 -2.468 2.176 1.00 2.32 H new ATOM 0 HA VAL A 34 6.839 -3.764 2.845 1.00 52.14 H new ATOM 0 HB VAL A 34 6.603 -1.815 4.172 1.00 3.34 H new ATOM 0 HG11 VAL A 34 6.767 0.472 3.233 1.00 70.11 H new ATOM 0 HG12 VAL A 34 8.318 -0.398 3.184 1.00 70.11 H new ATOM 0 HG13 VAL A 34 7.350 -0.223 1.702 1.00 70.11 H new ATOM 0 HG21 VAL A 34 4.668 -0.687 3.137 1.00 3.44 H new ATOM 0 HG22 VAL A 34 5.075 -1.452 1.582 1.00 3.44 H new ATOM 0 HG23 VAL A 34 4.602 -2.458 2.972 1.00 3.44 H new ATOM 520 N ASP A 35 6.275 -3.679 0.448 1.00 70.21 N ATOM 521 CA ASP A 35 6.012 -3.829 -0.969 1.00 12.45 C ATOM 522 C ASP A 35 4.761 -3.085 -1.353 1.00 72.34 C ATOM 523 O ASP A 35 3.717 -3.220 -0.707 1.00 64.24 O ATOM 524 CB ASP A 35 5.864 -5.299 -1.375 1.00 34.53 C ATOM 525 CG ASP A 35 7.182 -6.017 -1.443 1.00 34.13 C ATOM 526 OD1 ASP A 35 7.971 -5.716 -2.354 1.00 65.55 O ATOM 527 OD2 ASP A 35 7.441 -6.876 -0.579 1.00 14.34 O ATOM 0 H ASP A 35 5.645 -4.220 1.041 1.00 70.21 H new ATOM 0 HA ASP A 35 6.871 -3.413 -1.496 1.00 12.45 H new ATOM 0 HB2 ASP A 35 5.215 -5.806 -0.660 1.00 34.53 H new ATOM 0 HB3 ASP A 35 5.373 -5.356 -2.347 1.00 34.53 H new ATOM 532 N TRP A 36 4.884 -2.280 -2.389 1.00 3.13 N ATOM 533 CA TRP A 36 3.741 -1.614 -2.978 1.00 61.21 C ATOM 534 C TRP A 36 3.298 -2.359 -4.227 1.00 54.33 C ATOM 535 O TRP A 36 4.112 -2.671 -5.098 1.00 55.22 O ATOM 536 CB TRP A 36 4.034 -0.132 -3.283 1.00 74.05 C ATOM 537 CG TRP A 36 5.485 0.237 -3.422 1.00 72.11 C ATOM 538 CD1 TRP A 36 6.274 0.761 -2.445 1.00 23.11 C ATOM 539 CD2 TRP A 36 6.317 0.133 -4.593 1.00 42.25 C ATOM 540 NE1 TRP A 36 7.537 0.977 -2.922 1.00 5.43 N ATOM 541 CE2 TRP A 36 7.592 0.601 -4.234 1.00 4.41 C ATOM 542 CE3 TRP A 36 6.114 -0.319 -5.900 1.00 61.41 C ATOM 543 CZ2 TRP A 36 8.656 0.637 -5.131 1.00 64.43 C ATOM 544 CZ3 TRP A 36 7.169 -0.280 -6.790 1.00 25.44 C ATOM 545 CH2 TRP A 36 8.426 0.191 -6.402 1.00 42.43 C ATOM 0 H TRP A 36 5.773 -2.070 -2.843 1.00 3.13 H new ATOM 0 HA TRP A 36 2.927 -1.628 -2.253 1.00 61.21 H new ATOM 0 HB2 TRP A 36 3.521 0.137 -4.206 1.00 74.05 H new ATOM 0 HB3 TRP A 36 3.600 0.475 -2.489 1.00 74.05 H new ATOM 0 HD1 TRP A 36 5.949 0.975 -1.438 1.00 23.11 H new ATOM 0 HE1 TRP A 36 8.315 1.358 -2.384 1.00 5.43 H new ATOM 0 HE3 TRP A 36 5.149 -0.692 -6.208 1.00 61.41 H new ATOM 0 HZ2 TRP A 36 9.627 1.004 -4.833 1.00 64.43 H new ATOM 0 HZ3 TRP A 36 7.020 -0.620 -7.804 1.00 25.44 H new ATOM 0 HH2 TRP A 36 9.232 0.203 -7.121 1.00 42.43 H new ATOM 556 N ASN A 37 2.006 -2.662 -4.293 1.00 1.23 N ATOM 557 CA ASN A 37 1.454 -3.546 -5.322 1.00 53.31 C ATOM 558 C ASN A 37 -0.059 -3.286 -5.460 1.00 52.41 C ATOM 559 O ASN A 37 -0.628 -2.563 -4.643 1.00 3.02 O ATOM 560 CB ASN A 37 1.752 -5.007 -4.899 1.00 14.35 C ATOM 561 CG ASN A 37 1.431 -6.065 -5.939 1.00 13.42 C ATOM 562 OD1 ASN A 37 1.560 -5.840 -7.144 1.00 12.42 O ATOM 563 ND2 ASN A 37 0.971 -7.211 -5.473 1.00 12.12 N ATOM 0 H ASN A 37 1.311 -2.304 -3.638 1.00 1.23 H new ATOM 0 HA ASN A 37 1.907 -3.359 -6.295 1.00 53.31 H new ATOM 0 HB2 ASN A 37 2.808 -5.084 -4.641 1.00 14.35 H new ATOM 0 HB3 ASN A 37 1.186 -5.228 -3.994 1.00 14.35 H new ATOM 0 HD21 ASN A 37 0.706 -7.954 -6.119 1.00 12.12 H new ATOM 0 HD22 ASN A 37 0.881 -7.353 -4.467 1.00 12.12 H new ATOM 570 N ALA A 38 -0.688 -3.841 -6.504 1.00 44.22 N ATOM 571 CA ALA A 38 -2.148 -3.814 -6.674 1.00 34.22 C ATOM 572 C ALA A 38 -2.594 -4.990 -7.553 1.00 51.41 C ATOM 573 O ALA A 38 -1.777 -5.576 -8.239 1.00 41.31 O ATOM 574 CB ALA A 38 -2.589 -2.493 -7.288 1.00 50.14 C ATOM 0 H ALA A 38 -0.198 -4.323 -7.257 1.00 44.22 H new ATOM 0 HA ALA A 38 -2.618 -3.909 -5.695 1.00 34.22 H new ATOM 0 HB1 ALA A 38 -3.673 -2.491 -7.407 1.00 50.14 H new ATOM 0 HB2 ALA A 38 -2.294 -1.672 -6.635 1.00 50.14 H new ATOM 0 HB3 ALA A 38 -2.117 -2.369 -8.263 1.00 50.14 H new ATOM 580 N ILE A 39 -3.882 -5.341 -7.528 1.00 23.40 N ATOM 581 CA ILE A 39 -4.406 -6.454 -8.343 1.00 64.11 C ATOM 582 C ILE A 39 -5.414 -5.918 -9.358 1.00 72.22 C ATOM 583 O ILE A 39 -6.434 -5.372 -8.961 1.00 2.33 O ATOM 584 CB ILE A 39 -5.154 -7.523 -7.493 1.00 15.14 C ATOM 585 CG1 ILE A 39 -4.466 -7.773 -6.146 1.00 33.14 C ATOM 586 CG2 ILE A 39 -5.252 -8.832 -8.277 1.00 3.35 C ATOM 587 CD1 ILE A 39 -5.345 -8.501 -5.148 1.00 10.10 C ATOM 0 H ILE A 39 -4.585 -4.875 -6.955 1.00 23.40 H new ATOM 0 HA ILE A 39 -3.541 -6.915 -8.821 1.00 64.11 H new ATOM 0 HB ILE A 39 -6.153 -7.139 -7.285 1.00 15.14 H new ATOM 0 HG12 ILE A 39 -3.559 -8.354 -6.312 1.00 33.14 H new ATOM 0 HG13 ILE A 39 -4.159 -6.818 -5.720 1.00 33.14 H new ATOM 0 HG21 ILE A 39 -5.776 -9.577 -7.678 1.00 3.35 H new ATOM 0 HG22 ILE A 39 -5.800 -8.661 -9.204 1.00 3.35 H new ATOM 0 HG23 ILE A 39 -4.250 -9.193 -8.509 1.00 3.35 H new ATOM 0 HD11 ILE A 39 -4.796 -8.645 -4.217 1.00 10.10 H new ATOM 0 HD12 ILE A 39 -6.241 -7.911 -4.954 1.00 10.10 H new ATOM 0 HD13 ILE A 39 -5.631 -9.471 -5.555 1.00 10.10 H new ATOM 599 N ASN A 40 -5.164 -6.087 -10.655 1.00 75.51 N ATOM 600 CA ASN A 40 -6.120 -5.593 -11.652 1.00 41.43 C ATOM 601 C ASN A 40 -7.276 -6.563 -11.810 1.00 63.43 C ATOM 602 O ASN A 40 -7.069 -7.770 -11.925 1.00 24.03 O ATOM 603 CB ASN A 40 -5.470 -5.318 -13.017 1.00 43.03 C ATOM 604 CG ASN A 40 -6.424 -4.613 -13.981 1.00 1.23 C ATOM 605 OD1 ASN A 40 -7.061 -5.240 -14.814 1.00 12.34 O ATOM 606 ND2 ASN A 40 -6.559 -3.304 -13.847 1.00 23.43 N ATOM 0 H ASN A 40 -4.336 -6.546 -11.035 1.00 75.51 H new ATOM 0 HA ASN A 40 -6.494 -4.640 -11.278 1.00 41.43 H new ATOM 0 HB2 ASN A 40 -4.580 -4.705 -12.876 1.00 43.03 H new ATOM 0 HB3 ASN A 40 -5.142 -6.260 -13.457 1.00 43.03 H new ATOM 0 HD21 ASN A 40 -7.207 -2.794 -14.447 1.00 23.43 H new ATOM 0 HD22 ASN A 40 -6.015 -2.805 -13.143 1.00 23.43 H new ATOM 613 N LYS A 41 -8.475 -5.985 -11.817 1.00 25.31 N ATOM 614 CA LYS A 41 -9.752 -6.694 -11.896 1.00 11.14 C ATOM 615 C LYS A 41 -9.860 -7.599 -13.131 1.00 64.32 C ATOM 616 O LYS A 41 -10.232 -8.765 -13.011 1.00 52.41 O ATOM 617 CB LYS A 41 -10.871 -5.650 -11.899 1.00 35.14 C ATOM 618 CG LYS A 41 -12.272 -6.225 -11.851 1.00 72.22 C ATOM 619 CD LYS A 41 -13.314 -5.133 -11.969 1.00 4.34 C ATOM 620 CE LYS A 41 -14.721 -5.705 -11.978 1.00 20.25 C ATOM 621 NZ LYS A 41 -14.963 -6.544 -13.183 1.00 63.23 N ATOM 0 H LYS A 41 -8.589 -4.973 -11.766 1.00 25.31 H new ATOM 0 HA LYS A 41 -9.834 -7.356 -11.034 1.00 11.14 H new ATOM 0 HB2 LYS A 41 -10.735 -4.988 -11.044 1.00 35.14 H new ATOM 0 HB3 LYS A 41 -10.775 -5.037 -12.795 1.00 35.14 H new ATOM 0 HG2 LYS A 41 -12.401 -6.944 -12.660 1.00 72.22 H new ATOM 0 HG3 LYS A 41 -12.414 -6.768 -10.916 1.00 72.22 H new ATOM 0 HD2 LYS A 41 -13.209 -4.437 -11.137 1.00 4.34 H new ATOM 0 HD3 LYS A 41 -13.145 -4.565 -12.884 1.00 4.34 H new ATOM 0 HE2 LYS A 41 -14.877 -6.303 -11.080 1.00 20.25 H new ATOM 0 HE3 LYS A 41 -15.446 -4.891 -11.949 1.00 20.25 H new ATOM 0 HZ1 LYS A 41 -15.984 -6.708 -13.293 1.00 63.23 H new ATOM 0 HZ2 LYS A 41 -14.598 -6.055 -14.025 1.00 63.23 H new ATOM 0 HZ3 LYS A 41 -14.476 -7.456 -13.074 1.00 63.23 H new ATOM 635 N ASP A 42 -9.508 -7.066 -14.300 1.00 61.14 N ATOM 636 CA ASP A 42 -9.604 -7.812 -15.555 1.00 61.43 C ATOM 637 C ASP A 42 -8.346 -8.657 -15.796 1.00 12.43 C ATOM 638 O ASP A 42 -8.423 -9.754 -16.360 1.00 4.42 O ATOM 639 CB ASP A 42 -9.819 -6.843 -16.722 1.00 63.31 C ATOM 640 CG ASP A 42 -10.158 -7.562 -18.012 1.00 25.13 C ATOM 641 OD1 ASP A 42 -11.342 -7.885 -18.213 1.00 25.54 O ATOM 642 OD2 ASP A 42 -9.247 -7.817 -18.822 1.00 41.24 O ATOM 0 H ASP A 42 -9.152 -6.116 -14.405 1.00 61.14 H new ATOM 0 HA ASP A 42 -10.456 -8.488 -15.485 1.00 61.43 H new ATOM 0 HB2 ASP A 42 -10.623 -6.150 -16.473 1.00 63.31 H new ATOM 0 HB3 ASP A 42 -8.918 -6.247 -16.867 1.00 63.31 H new ATOM 647 N GLY A 43 -7.204 -8.136 -15.335 1.00 62.11 N ATOM 648 CA GLY A 43 -5.914 -8.775 -15.546 1.00 53.12 C ATOM 649 C GLY A 43 -5.780 -10.103 -14.830 1.00 40.22 C ATOM 650 O GLY A 43 -5.347 -11.084 -15.423 1.00 41.43 O ATOM 0 H GLY A 43 -7.154 -7.264 -14.809 1.00 62.11 H new ATOM 0 HA2 GLY A 43 -5.763 -8.929 -16.614 1.00 53.12 H new ATOM 0 HA3 GLY A 43 -5.124 -8.105 -15.206 1.00 53.12 H new ATOM 654 N GLY A 44 -6.150 -10.125 -13.552 1.00 14.24 N ATOM 655 CA GLY A 44 -6.158 -11.367 -12.795 1.00 42.11 C ATOM 656 C GLY A 44 -4.901 -11.562 -11.972 1.00 31.21 C ATOM 657 O GLY A 44 -4.850 -12.429 -11.101 1.00 64.34 O ATOM 0 H GLY A 44 -6.445 -9.303 -13.025 1.00 14.24 H new ATOM 0 HA2 GLY A 44 -7.025 -11.379 -12.134 1.00 42.11 H new ATOM 0 HA3 GLY A 44 -6.270 -12.205 -13.483 1.00 42.11 H new ATOM 661 N ASP A 45 -3.894 -10.751 -12.254 1.00 61.52 N ATOM 662 CA ASP A 45 -2.596 -10.890 -11.625 1.00 73.54 C ATOM 663 C ASP A 45 -2.221 -9.616 -10.885 1.00 11.03 C ATOM 664 O ASP A 45 -2.952 -8.616 -10.930 1.00 21.00 O ATOM 665 CB ASP A 45 -1.534 -11.216 -12.680 1.00 54.31 C ATOM 666 CG ASP A 45 -0.710 -12.427 -12.314 1.00 4.23 C ATOM 667 OD1 ASP A 45 0.112 -12.333 -11.385 1.00 52.54 O ATOM 668 OD2 ASP A 45 -0.878 -13.476 -12.967 1.00 51.45 O ATOM 0 H ASP A 45 -3.955 -9.983 -12.922 1.00 61.52 H new ATOM 0 HA ASP A 45 -2.646 -11.707 -10.905 1.00 73.54 H new ATOM 0 HB2 ASP A 45 -2.021 -11.388 -13.640 1.00 54.31 H new ATOM 0 HB3 ASP A 45 -0.875 -10.357 -12.806 1.00 54.31 H new ATOM 673 N ASP A 46 -1.067 -9.660 -10.232 1.00 64.23 N ATOM 674 CA ASP A 46 -0.552 -8.535 -9.458 1.00 53.23 C ATOM 675 C ASP A 46 0.164 -7.556 -10.373 1.00 32.34 C ATOM 676 O ASP A 46 0.570 -7.928 -11.457 1.00 21.10 O ATOM 677 CB ASP A 46 0.428 -9.030 -8.397 1.00 34.42 C ATOM 678 CG ASP A 46 -0.214 -9.949 -7.384 1.00 63.23 C ATOM 679 OD1 ASP A 46 -0.836 -9.449 -6.429 1.00 34.12 O ATOM 680 OD2 ASP A 46 -0.091 -11.180 -7.534 1.00 3.40 O ATOM 0 H ASP A 46 -0.459 -10.479 -10.223 1.00 64.23 H new ATOM 0 HA ASP A 46 -1.392 -8.037 -8.974 1.00 53.23 H new ATOM 0 HB2 ASP A 46 1.250 -9.554 -8.885 1.00 34.42 H new ATOM 0 HB3 ASP A 46 0.859 -8.173 -7.880 1.00 34.42 H new ATOM 685 N LYS A 47 0.346 -6.319 -9.916 1.00 72.24 N ATOM 686 CA LYS A 47 1.027 -5.276 -10.693 1.00 64.21 C ATOM 687 C LYS A 47 2.519 -5.582 -10.823 1.00 25.24 C ATOM 688 O LYS A 47 3.143 -5.229 -11.826 1.00 35.52 O ATOM 689 CB LYS A 47 0.821 -3.907 -10.036 1.00 13.00 C ATOM 690 CG LYS A 47 1.301 -2.731 -10.879 1.00 73.22 C ATOM 691 CD LYS A 47 1.015 -1.406 -10.204 1.00 42.13 C ATOM 692 CE LYS A 47 -0.468 -1.091 -10.166 1.00 30.30 C ATOM 693 NZ LYS A 47 -0.733 0.147 -9.409 1.00 13.01 N ATOM 0 H LYS A 47 0.027 -6.008 -8.998 1.00 72.24 H new ATOM 0 HA LYS A 47 0.594 -5.256 -11.693 1.00 64.21 H new ATOM 0 HB2 LYS A 47 -0.239 -3.776 -9.820 1.00 13.00 H new ATOM 0 HB3 LYS A 47 1.345 -3.892 -9.080 1.00 13.00 H new ATOM 0 HG2 LYS A 47 2.372 -2.825 -11.058 1.00 73.22 H new ATOM 0 HG3 LYS A 47 0.811 -2.757 -11.853 1.00 73.22 H new ATOM 0 HD2 LYS A 47 1.407 -1.426 -9.187 1.00 42.13 H new ATOM 0 HD3 LYS A 47 1.540 -0.610 -10.732 1.00 42.13 H new ATOM 0 HE2 LYS A 47 -0.846 -0.986 -11.183 1.00 30.30 H new ATOM 0 HE3 LYS A 47 -1.007 -1.921 -9.710 1.00 30.30 H new ATOM 0 HZ1 LYS A 47 -1.704 0.125 -9.036 1.00 13.01 H new ATOM 0 HZ2 LYS A 47 -0.060 0.222 -8.619 1.00 13.01 H new ATOM 0 HZ3 LYS A 47 -0.622 0.968 -10.037 1.00 13.01 H new ATOM 707 N ASP A 48 3.060 -6.243 -9.796 1.00 2.52 N ATOM 708 CA ASP A 48 4.413 -6.807 -9.802 1.00 43.32 C ATOM 709 C ASP A 48 4.632 -7.735 -11.007 1.00 60.53 C ATOM 710 O ASP A 48 5.572 -7.554 -11.779 1.00 2.01 O ATOM 711 CB ASP A 48 4.620 -7.568 -8.477 1.00 22.13 C ATOM 712 CG ASP A 48 5.855 -8.456 -8.449 1.00 14.33 C ATOM 713 OD1 ASP A 48 6.976 -7.917 -8.391 1.00 22.24 O ATOM 714 OD2 ASP A 48 5.697 -9.698 -8.516 1.00 54.54 O ATOM 0 H ASP A 48 2.561 -6.404 -8.921 1.00 2.52 H new ATOM 0 HA ASP A 48 5.143 -6.002 -9.891 1.00 43.32 H new ATOM 0 HB2 ASP A 48 4.688 -6.845 -7.664 1.00 22.13 H new ATOM 0 HB3 ASP A 48 3.741 -8.183 -8.284 1.00 22.13 H new ATOM 719 N THR A 49 3.719 -8.682 -11.177 1.00 4.33 N ATOM 720 CA THR A 49 3.836 -9.700 -12.212 1.00 40.31 C ATOM 721 C THR A 49 3.331 -9.209 -13.590 1.00 54.32 C ATOM 722 O THR A 49 3.847 -9.636 -14.620 1.00 21.40 O ATOM 723 CB THR A 49 3.089 -10.966 -11.751 1.00 74.43 C ATOM 724 OG1 THR A 49 3.509 -11.282 -10.418 1.00 55.13 O ATOM 725 CG2 THR A 49 3.370 -12.160 -12.656 1.00 2.33 C ATOM 0 H THR A 49 2.880 -8.766 -10.604 1.00 4.33 H new ATOM 0 HA THR A 49 4.892 -9.930 -12.353 1.00 40.31 H new ATOM 0 HB THR A 49 2.019 -10.764 -11.793 1.00 74.43 H new ATOM 0 HG1 THR A 49 3.041 -12.086 -10.109 1.00 55.13 H new ATOM 0 HG21 THR A 49 2.822 -13.029 -12.292 1.00 2.33 H new ATOM 0 HG22 THR A 49 3.051 -11.929 -13.672 1.00 2.33 H new ATOM 0 HG23 THR A 49 4.438 -12.376 -12.652 1.00 2.33 H new ATOM 733 N LEU A 50 2.354 -8.295 -13.607 1.00 74.31 N ATOM 734 CA LEU A 50 1.843 -7.720 -14.863 1.00 53.45 C ATOM 735 C LEU A 50 2.861 -6.788 -15.530 1.00 44.53 C ATOM 736 O LEU A 50 2.942 -6.755 -16.750 1.00 41.21 O ATOM 737 CB LEU A 50 0.503 -6.989 -14.653 1.00 75.01 C ATOM 738 CG LEU A 50 -0.710 -7.898 -14.386 1.00 64.04 C ATOM 739 CD1 LEU A 50 -1.954 -7.069 -14.113 1.00 21.51 C ATOM 740 CD2 LEU A 50 -0.955 -8.844 -15.555 1.00 22.14 C ATOM 0 H LEU A 50 1.900 -7.936 -12.767 1.00 74.31 H new ATOM 0 HA LEU A 50 1.671 -8.560 -15.536 1.00 53.45 H new ATOM 0 HB2 LEU A 50 0.611 -6.301 -13.815 1.00 75.01 H new ATOM 0 HB3 LEU A 50 0.296 -6.385 -15.536 1.00 75.01 H new ATOM 0 HG LEU A 50 -0.488 -8.496 -13.502 1.00 64.04 H new ATOM 0 HD11 LEU A 50 -2.799 -7.732 -13.927 1.00 21.51 H new ATOM 0 HD12 LEU A 50 -1.787 -6.440 -13.239 1.00 21.51 H new ATOM 0 HD13 LEU A 50 -2.169 -6.440 -14.977 1.00 21.51 H new ATOM 0 HD21 LEU A 50 -1.818 -9.474 -15.339 1.00 22.14 H new ATOM 0 HD22 LEU A 50 -1.146 -8.264 -16.458 1.00 22.14 H new ATOM 0 HD23 LEU A 50 -0.076 -9.471 -15.706 1.00 22.14 H new ATOM 752 N SER A 51 3.645 -6.047 -14.741 1.00 64.43 N ATOM 753 CA SER A 51 4.734 -5.227 -15.290 1.00 74.44 C ATOM 754 C SER A 51 5.931 -6.102 -15.706 1.00 62.55 C ATOM 755 O SER A 51 6.701 -5.733 -16.590 1.00 30.04 O ATOM 756 CB SER A 51 5.173 -4.139 -14.295 1.00 65.54 C ATOM 757 OG SER A 51 5.692 -4.694 -13.097 1.00 21.20 O ATOM 0 H SER A 51 3.549 -5.997 -13.727 1.00 64.43 H new ATOM 0 HA SER A 51 4.352 -4.729 -16.181 1.00 74.44 H new ATOM 0 HB2 SER A 51 5.930 -3.507 -14.759 1.00 65.54 H new ATOM 0 HB3 SER A 51 4.323 -3.498 -14.060 1.00 65.54 H new ATOM 0 HG SER A 51 4.952 -4.949 -12.507 1.00 21.20 H new ATOM 763 N ARG A 52 6.072 -7.253 -15.038 1.00 42.41 N ATOM 764 CA ARG A 52 7.148 -8.210 -15.294 1.00 70.11 C ATOM 765 C ARG A 52 6.934 -8.907 -16.648 1.00 61.22 C ATOM 766 O ARG A 52 7.876 -9.078 -17.419 1.00 22.54 O ATOM 767 CB ARG A 52 7.165 -9.228 -14.134 1.00 70.12 C ATOM 768 CG ARG A 52 8.478 -9.962 -13.889 1.00 55.11 C ATOM 769 CD ARG A 52 8.655 -11.192 -14.767 1.00 21.41 C ATOM 770 NE ARG A 52 9.784 -12.010 -14.330 1.00 44.24 N ATOM 771 CZ ARG A 52 10.260 -13.064 -14.991 1.00 11.55 C ATOM 772 NH1 ARG A 52 9.768 -13.426 -16.169 1.00 1.22 N ATOM 773 NH2 ARG A 52 11.251 -13.757 -14.465 1.00 44.51 N ATOM 0 H ARG A 52 5.435 -7.546 -14.298 1.00 42.41 H new ATOM 0 HA ARG A 52 8.110 -7.700 -15.345 1.00 70.11 H new ATOM 0 HB2 ARG A 52 6.891 -8.705 -13.218 1.00 70.12 H new ATOM 0 HB3 ARG A 52 6.389 -9.971 -14.321 1.00 70.12 H new ATOM 0 HG2 ARG A 52 9.307 -9.277 -14.065 1.00 55.11 H new ATOM 0 HG3 ARG A 52 8.529 -10.262 -12.842 1.00 55.11 H new ATOM 0 HD2 ARG A 52 7.743 -11.789 -14.745 1.00 21.41 H new ATOM 0 HD3 ARG A 52 8.809 -10.882 -15.801 1.00 21.41 H new ATOM 0 HE ARG A 52 10.241 -11.755 -13.455 1.00 44.24 H new ATOM 0 HH11 ARG A 52 9.007 -12.893 -16.589 1.00 1.22 H new ATOM 0 HH12 ARG A 52 10.151 -14.237 -16.654 1.00 1.22 H new ATOM 0 HH21 ARG A 52 11.643 -13.483 -13.564 1.00 44.51 H new ATOM 0 HH22 ARG A 52 11.626 -14.567 -14.959 1.00 44.51 H new ATOM 787 N ASN A 53 5.691 -9.299 -16.918 1.00 10.54 N ATOM 788 CA ASN A 53 5.345 -10.003 -18.153 1.00 0.34 C ATOM 789 C ASN A 53 5.140 -9.036 -19.313 1.00 74.32 C ATOM 790 O ASN A 53 5.721 -9.209 -20.386 1.00 1.40 O ATOM 791 CB ASN A 53 4.074 -10.848 -17.959 1.00 1.32 C ATOM 792 CG ASN A 53 4.221 -11.942 -16.919 1.00 53.54 C ATOM 793 OD1 ASN A 53 5.310 -12.461 -16.679 1.00 10.33 O ATOM 794 ND2 ASN A 53 3.114 -12.305 -16.299 1.00 70.33 N ATOM 0 H ASN A 53 4.900 -9.140 -16.294 1.00 10.54 H new ATOM 0 HA ASN A 53 6.182 -10.658 -18.395 1.00 0.34 H new ATOM 0 HB2 ASN A 53 3.253 -10.192 -17.670 1.00 1.32 H new ATOM 0 HB3 ASN A 53 3.800 -11.300 -18.912 1.00 1.32 H new ATOM 0 HD21 ASN A 53 3.143 -13.040 -15.593 1.00 70.33 H new ATOM 0 HD22 ASN A 53 2.230 -11.850 -16.526 1.00 70.33 H new ATOM 801 N GLY A 54 4.344 -8.006 -19.066 1.00 2.40 N ATOM 802 CA GLY A 54 3.943 -7.083 -20.116 1.00 32.42 C ATOM 803 C GLY A 54 2.458 -7.149 -20.384 1.00 2.20 C ATOM 804 O GLY A 54 2.024 -7.144 -21.536 1.00 10.51 O ATOM 0 H GLY A 54 3.963 -7.789 -18.145 1.00 2.40 H new ATOM 0 HA2 GLY A 54 4.216 -6.067 -19.831 1.00 32.42 H new ATOM 0 HA3 GLY A 54 4.488 -7.314 -21.031 1.00 32.42 H new ATOM 808 N GLY A 55 1.685 -7.227 -19.309 1.00 70.23 N ATOM 809 CA GLY A 55 0.243 -7.270 -19.407 1.00 10.43 C ATOM 810 C GLY A 55 -0.401 -6.210 -18.546 1.00 44.25 C ATOM 811 O GLY A 55 -1.406 -6.472 -17.885 1.00 3.42 O ATOM 0 H GLY A 55 2.042 -7.262 -18.354 1.00 70.23 H new ATOM 0 HA2 GLY A 55 -0.057 -7.129 -20.445 1.00 10.43 H new ATOM 0 HA3 GLY A 55 -0.114 -8.254 -19.103 1.00 10.43 H new ATOM 815 N TYR A 56 0.207 -5.020 -18.534 1.00 41.04 N ATOM 816 CA TYR A 56 -0.318 -3.870 -17.800 1.00 70.11 C ATOM 817 C TYR A 56 -1.574 -3.309 -18.487 1.00 63.22 C ATOM 818 O TYR A 56 -1.506 -2.539 -19.453 1.00 72.44 O ATOM 819 CB TYR A 56 0.786 -2.801 -17.638 1.00 73.43 C ATOM 820 CG TYR A 56 0.325 -1.472 -17.062 1.00 23.35 C ATOM 821 CD1 TYR A 56 -0.118 -1.358 -15.749 1.00 33.01 C ATOM 822 CD2 TYR A 56 0.330 -0.330 -17.854 1.00 52.03 C ATOM 823 CE1 TYR A 56 -0.541 -0.141 -15.247 1.00 51.11 C ATOM 824 CE2 TYR A 56 -0.091 0.884 -17.364 1.00 54.23 C ATOM 825 CZ TYR A 56 -0.525 0.978 -16.065 1.00 24.41 C ATOM 826 OH TYR A 56 -0.948 2.192 -15.582 1.00 31.34 O ATOM 0 H TYR A 56 1.076 -4.829 -19.033 1.00 41.04 H new ATOM 0 HA TYR A 56 -0.621 -4.189 -16.803 1.00 70.11 H new ATOM 0 HB2 TYR A 56 1.568 -3.205 -16.995 1.00 73.43 H new ATOM 0 HB3 TYR A 56 1.238 -2.618 -18.613 1.00 73.43 H new ATOM 0 HD1 TYR A 56 -0.132 -2.231 -15.113 1.00 33.01 H new ATOM 0 HD2 TYR A 56 0.672 -0.397 -18.876 1.00 52.03 H new ATOM 0 HE1 TYR A 56 -0.881 -0.063 -14.225 1.00 51.11 H new ATOM 0 HE2 TYR A 56 -0.080 1.759 -17.998 1.00 54.23 H new ATOM 0 HH TYR A 56 -1.871 2.355 -15.869 1.00 31.34 H new ATOM 836 N LYS A 57 -2.716 -3.797 -18.033 1.00 35.30 N ATOM 837 CA LYS A 57 -3.998 -3.292 -18.466 1.00 44.02 C ATOM 838 C LYS A 57 -4.680 -2.513 -17.343 1.00 72.02 C ATOM 839 O LYS A 57 -4.707 -2.956 -16.200 1.00 53.54 O ATOM 840 CB LYS A 57 -4.870 -4.469 -18.922 1.00 3.14 C ATOM 841 CG LYS A 57 -6.224 -4.060 -19.478 1.00 10.44 C ATOM 842 CD LYS A 57 -7.005 -5.255 -19.982 1.00 72.23 C ATOM 843 CE LYS A 57 -8.366 -4.838 -20.503 1.00 12.43 C ATOM 844 NZ LYS A 57 -9.098 -5.977 -21.115 1.00 62.14 N ATOM 0 H LYS A 57 -2.775 -4.555 -17.353 1.00 35.30 H new ATOM 0 HA LYS A 57 -3.854 -2.606 -19.300 1.00 44.02 H new ATOM 0 HB2 LYS A 57 -4.331 -5.032 -19.684 1.00 3.14 H new ATOM 0 HB3 LYS A 57 -5.024 -5.141 -18.078 1.00 3.14 H new ATOM 0 HG2 LYS A 57 -6.797 -3.551 -18.703 1.00 10.44 H new ATOM 0 HG3 LYS A 57 -6.084 -3.347 -20.291 1.00 10.44 H new ATOM 0 HD2 LYS A 57 -6.445 -5.751 -20.775 1.00 72.23 H new ATOM 0 HD3 LYS A 57 -7.127 -5.979 -19.177 1.00 72.23 H new ATOM 0 HE2 LYS A 57 -8.956 -4.424 -19.686 1.00 12.43 H new ATOM 0 HE3 LYS A 57 -8.245 -4.046 -21.242 1.00 12.43 H new ATOM 0 HZ1 LYS A 57 -10.024 -5.650 -21.459 1.00 62.14 H new ATOM 0 HZ2 LYS A 57 -8.547 -6.356 -21.911 1.00 62.14 H new ATOM 0 HZ3 LYS A 57 -9.237 -6.723 -20.404 1.00 62.14 H new ATOM 858 N MET A 58 -5.187 -1.336 -17.682 1.00 3.54 N ATOM 859 CA MET A 58 -6.065 -0.575 -16.799 1.00 30.31 C ATOM 860 C MET A 58 -7.501 -0.747 -17.275 1.00 24.41 C ATOM 861 O MET A 58 -7.728 -1.142 -18.418 1.00 40.12 O ATOM 862 CB MET A 58 -5.716 0.920 -16.819 1.00 13.32 C ATOM 863 CG MET A 58 -4.335 1.259 -16.282 1.00 41.31 C ATOM 864 SD MET A 58 -3.977 3.030 -16.358 1.00 52.34 S ATOM 865 CE MET A 58 -3.984 3.318 -18.126 1.00 42.34 C ATOM 0 H MET A 58 -5.003 -0.881 -18.576 1.00 3.54 H new ATOM 0 HA MET A 58 -5.940 -0.946 -15.782 1.00 30.31 H new ATOM 0 HB2 MET A 58 -5.791 1.283 -17.844 1.00 13.32 H new ATOM 0 HB3 MET A 58 -6.461 1.460 -16.235 1.00 13.32 H new ATOM 0 HG2 MET A 58 -4.257 0.920 -15.249 1.00 41.31 H new ATOM 0 HG3 MET A 58 -3.583 0.715 -16.853 1.00 41.31 H new ATOM 0 HE1 MET A 58 -3.673 4.343 -18.329 1.00 42.34 H new ATOM 0 HE2 MET A 58 -3.294 2.627 -18.610 1.00 42.34 H new ATOM 0 HE3 MET A 58 -4.989 3.160 -18.516 1.00 42.34 H new ATOM 875 N VAL A 59 -8.474 -0.471 -16.414 1.00 35.32 N ATOM 876 CA VAL A 59 -9.861 -0.407 -16.875 1.00 42.44 C ATOM 877 C VAL A 59 -10.270 1.060 -17.085 1.00 53.03 C ATOM 878 O VAL A 59 -11.249 1.360 -17.768 1.00 44.31 O ATOM 879 CB VAL A 59 -10.881 -1.153 -15.940 1.00 62.01 C ATOM 880 CG1 VAL A 59 -10.409 -2.569 -15.609 1.00 32.01 C ATOM 881 CG2 VAL A 59 -11.191 -0.380 -14.662 1.00 2.33 C ATOM 0 H VAL A 59 -8.338 -0.292 -15.419 1.00 35.32 H new ATOM 0 HA VAL A 59 -9.902 -0.942 -17.824 1.00 42.44 H new ATOM 0 HB VAL A 59 -11.810 -1.221 -16.506 1.00 62.01 H new ATOM 0 HG11 VAL A 59 -11.139 -3.054 -14.961 1.00 32.01 H new ATOM 0 HG12 VAL A 59 -10.304 -3.142 -16.530 1.00 32.01 H new ATOM 0 HG13 VAL A 59 -9.447 -2.522 -15.100 1.00 32.01 H new ATOM 0 HG21 VAL A 59 -11.901 -0.945 -14.058 1.00 2.33 H new ATOM 0 HG22 VAL A 59 -10.272 -0.229 -14.096 1.00 2.33 H new ATOM 0 HG23 VAL A 59 -11.623 0.588 -14.918 1.00 2.33 H new ATOM 891 N GLU A 60 -9.470 1.964 -16.521 1.00 71.44 N ATOM 892 CA GLU A 60 -9.727 3.387 -16.581 1.00 52.21 C ATOM 893 C GLU A 60 -8.468 4.077 -17.056 1.00 63.41 C ATOM 894 O GLU A 60 -7.418 4.020 -16.410 1.00 21.44 O ATOM 895 CB GLU A 60 -10.197 3.876 -15.208 1.00 72.20 C ATOM 896 CG GLU A 60 -10.881 5.228 -15.197 1.00 31.01 C ATOM 897 CD GLU A 60 -9.960 6.336 -14.749 1.00 5.44 C ATOM 898 OE1 GLU A 60 -9.681 6.435 -13.535 1.00 50.53 O ATOM 899 OE2 GLU A 60 -9.515 7.114 -15.605 1.00 12.03 O ATOM 0 H GLU A 60 -8.623 1.720 -16.009 1.00 71.44 H new ATOM 0 HA GLU A 60 -10.523 3.622 -17.287 1.00 52.21 H new ATOM 0 HB2 GLU A 60 -10.883 3.137 -14.794 1.00 72.20 H new ATOM 0 HB3 GLU A 60 -9.335 3.919 -14.542 1.00 72.20 H new ATOM 0 HG2 GLU A 60 -11.254 5.451 -16.197 1.00 31.01 H new ATOM 0 HG3 GLU A 60 -11.746 5.189 -14.535 1.00 31.01 H new ATOM 906 N TYR A 61 -8.585 4.696 -18.217 1.00 23.03 N ATOM 907 CA TYR A 61 -7.448 5.220 -18.948 1.00 32.04 C ATOM 908 C TYR A 61 -7.338 6.724 -18.745 1.00 73.21 C ATOM 909 O TYR A 61 -7.463 7.514 -19.686 1.00 11.11 O ATOM 910 CB TYR A 61 -7.578 4.876 -20.440 1.00 73.35 C ATOM 911 CG TYR A 61 -7.886 3.417 -20.695 1.00 1.31 C ATOM 912 CD1 TYR A 61 -6.887 2.458 -20.651 1.00 11.33 C ATOM 913 CD2 TYR A 61 -9.186 3.001 -20.956 1.00 62.33 C ATOM 914 CE1 TYR A 61 -7.170 1.126 -20.858 1.00 74.45 C ATOM 915 CE2 TYR A 61 -9.478 1.672 -21.169 1.00 21.33 C ATOM 916 CZ TYR A 61 -8.468 0.738 -21.116 1.00 60.41 C ATOM 917 OH TYR A 61 -8.757 -0.590 -21.311 1.00 35.30 O ATOM 0 H TYR A 61 -9.480 4.850 -18.682 1.00 23.03 H new ATOM 0 HA TYR A 61 -6.537 4.759 -18.567 1.00 32.04 H new ATOM 0 HB2 TYR A 61 -8.366 5.488 -20.879 1.00 73.35 H new ATOM 0 HB3 TYR A 61 -6.650 5.138 -20.948 1.00 73.35 H new ATOM 0 HD1 TYR A 61 -5.870 2.760 -20.451 1.00 11.33 H new ATOM 0 HD2 TYR A 61 -9.980 3.732 -20.992 1.00 62.33 H new ATOM 0 HE1 TYR A 61 -6.380 0.390 -20.819 1.00 74.45 H new ATOM 0 HE2 TYR A 61 -10.492 1.365 -21.376 1.00 21.33 H new ATOM 0 HH TYR A 61 -8.511 -1.099 -20.511 1.00 35.30 H new ATOM 927 N GLY A 62 -7.119 7.110 -17.491 1.00 61.43 N ATOM 928 CA GLY A 62 -6.917 8.509 -17.149 1.00 24.11 C ATOM 929 C GLY A 62 -5.453 8.886 -17.161 1.00 74.31 C ATOM 930 O GLY A 62 -5.074 9.949 -16.667 1.00 33.43 O ATOM 0 H GLY A 62 -7.077 6.471 -16.697 1.00 61.43 H new ATOM 0 HA2 GLY A 62 -7.460 9.137 -17.855 1.00 24.11 H new ATOM 0 HA3 GLY A 62 -7.334 8.705 -16.161 1.00 24.11 H new ATOM 934 N GLY A 63 -4.637 7.989 -17.705 1.00 55.11 N ATOM 935 CA GLY A 63 -3.232 8.265 -17.914 1.00 3.41 C ATOM 936 C GLY A 63 -2.354 7.550 -16.923 1.00 74.51 C ATOM 937 O GLY A 63 -1.639 6.616 -17.279 1.00 10.23 O ATOM 0 H GLY A 63 -4.933 7.061 -18.009 1.00 55.11 H new ATOM 0 HA2 GLY A 63 -2.952 7.967 -18.924 1.00 3.41 H new ATOM 0 HA3 GLY A 63 -3.060 9.339 -17.839 1.00 3.41 H new ATOM 941 N ALA A 64 -2.411 7.986 -15.679 1.00 62.11 N ATOM 942 CA ALA A 64 -1.578 7.431 -14.640 1.00 4.44 C ATOM 943 C ALA A 64 -2.381 6.523 -13.728 1.00 23.11 C ATOM 944 O ALA A 64 -3.615 6.543 -13.728 1.00 53.22 O ATOM 945 CB ALA A 64 -0.931 8.549 -13.841 1.00 41.35 C ATOM 0 H ALA A 64 -3.034 8.731 -15.366 1.00 62.11 H new ATOM 0 HA ALA A 64 -0.797 6.832 -15.107 1.00 4.44 H new ATOM 0 HB1 ALA A 64 -0.304 8.121 -13.059 1.00 41.35 H new ATOM 0 HB2 ALA A 64 -0.319 9.162 -14.503 1.00 41.35 H new ATOM 0 HB3 ALA A 64 -1.706 9.167 -13.387 1.00 41.35 H new ATOM 951 N GLN A 65 -1.659 5.710 -12.982 1.00 71.11 N ATOM 952 CA GLN A 65 -2.225 4.901 -11.919 1.00 65.25 C ATOM 953 C GLN A 65 -2.601 5.782 -10.739 1.00 51.21 C ATOM 954 O GLN A 65 -3.723 5.700 -10.229 1.00 63.43 O ATOM 955 CB GLN A 65 -1.190 3.886 -11.440 1.00 34.43 C ATOM 956 CG GLN A 65 -0.803 2.831 -12.448 1.00 15.31 C ATOM 957 CD GLN A 65 0.647 2.423 -12.302 1.00 21.32 C ATOM 958 OE1 GLN A 65 0.983 1.532 -11.537 1.00 23.54 O ATOM 959 NE2 GLN A 65 1.513 3.066 -13.049 1.00 10.41 N ATOM 0 H GLN A 65 -0.653 5.591 -13.098 1.00 71.11 H new ATOM 0 HA GLN A 65 -3.109 4.392 -12.304 1.00 65.25 H new ATOM 0 HB2 GLN A 65 -0.291 4.424 -11.139 1.00 34.43 H new ATOM 0 HB3 GLN A 65 -1.578 3.390 -10.550 1.00 34.43 H new ATOM 0 HG2 GLN A 65 -1.442 1.957 -12.323 1.00 15.31 H new ATOM 0 HG3 GLN A 65 -0.975 3.210 -13.456 1.00 15.31 H new ATOM 0 HE21 GLN A 65 1.196 3.805 -13.677 1.00 10.41 H new ATOM 0 HE22 GLN A 65 2.504 2.827 -13.002 1.00 10.41 H new ATOM 968 N ALA A 66 -1.626 6.640 -10.352 1.00 71.11 N ATOM 969 CA ALA A 66 -1.628 7.409 -9.093 1.00 51.34 C ATOM 970 C ALA A 66 -1.694 6.475 -7.878 1.00 42.24 C ATOM 971 O ALA A 66 -2.144 6.847 -6.809 1.00 74.51 O ATOM 972 CB ALA A 66 -2.748 8.450 -9.072 1.00 32.14 C ATOM 0 H ALA A 66 -0.799 6.817 -10.923 1.00 71.11 H new ATOM 0 HA ALA A 66 -0.687 7.956 -9.035 1.00 51.34 H new ATOM 0 HB1 ALA A 66 -2.719 8.997 -8.130 1.00 32.14 H new ATOM 0 HB2 ALA A 66 -2.613 9.146 -9.900 1.00 32.14 H new ATOM 0 HB3 ALA A 66 -3.711 7.950 -9.171 1.00 32.14 H new ATOM 978 N GLU A 67 -1.171 5.270 -8.049 1.00 1.32 N ATOM 979 CA GLU A 67 -1.292 4.229 -7.049 1.00 45.00 C ATOM 980 C GLU A 67 0.046 3.966 -6.379 1.00 31.40 C ATOM 981 O GLU A 67 0.968 4.792 -6.442 1.00 64.34 O ATOM 982 CB GLU A 67 -1.799 2.949 -7.706 1.00 1.43 C ATOM 983 CG GLU A 67 -3.217 3.020 -8.239 1.00 40.10 C ATOM 984 CD GLU A 67 -3.516 1.831 -9.104 1.00 31.03 C ATOM 985 OE1 GLU A 67 -3.460 0.708 -8.587 1.00 53.03 O ATOM 986 OE2 GLU A 67 -3.710 2.008 -10.322 1.00 65.23 O ATOM 0 H GLU A 67 -0.654 4.991 -8.882 1.00 1.32 H new ATOM 0 HA GLU A 67 -1.999 4.558 -6.288 1.00 45.00 H new ATOM 0 HB2 GLU A 67 -1.131 2.691 -8.527 1.00 1.43 H new ATOM 0 HB3 GLU A 67 -1.740 2.138 -6.980 1.00 1.43 H new ATOM 0 HG2 GLU A 67 -3.922 3.059 -7.409 1.00 40.10 H new ATOM 0 HG3 GLU A 67 -3.350 3.937 -8.813 1.00 40.10 H new ATOM 993 N TRP A 68 0.151 2.803 -5.739 1.00 63.11 N ATOM 994 CA TRP A 68 1.353 2.436 -5.019 1.00 62.12 C ATOM 995 C TRP A 68 2.350 1.758 -5.952 1.00 32.31 C ATOM 996 O TRP A 68 2.330 0.536 -6.132 1.00 11.44 O ATOM 997 CB TRP A 68 1.030 1.546 -3.803 1.00 31.45 C ATOM 998 CG TRP A 68 -0.127 2.031 -2.982 1.00 23.14 C ATOM 999 CD1 TRP A 68 -1.188 1.284 -2.587 1.00 12.21 C ATOM 1000 CD2 TRP A 68 -0.357 3.361 -2.475 1.00 13.04 C ATOM 1001 NE1 TRP A 68 -2.081 2.056 -1.893 1.00 45.34 N ATOM 1002 CE2 TRP A 68 -1.592 3.338 -1.809 1.00 24.00 C ATOM 1003 CE3 TRP A 68 0.355 4.568 -2.528 1.00 54.11 C ATOM 1004 CZ2 TRP A 68 -2.131 4.472 -1.209 1.00 2.34 C ATOM 1005 CZ3 TRP A 68 -0.180 5.688 -1.927 1.00 14.22 C ATOM 1006 CH2 TRP A 68 -1.414 5.634 -1.276 1.00 32.11 C ATOM 0 H TRP A 68 -0.589 2.101 -5.709 1.00 63.11 H new ATOM 0 HA TRP A 68 1.811 3.349 -4.639 1.00 62.12 H new ATOM 0 HB2 TRP A 68 0.816 0.536 -4.152 1.00 31.45 H new ATOM 0 HB3 TRP A 68 1.913 1.484 -3.167 1.00 31.45 H new ATOM 0 HD1 TRP A 68 -1.311 0.231 -2.791 1.00 12.21 H new ATOM 0 HE1 TRP A 68 -2.966 1.732 -1.502 1.00 45.34 H new ATOM 0 HE3 TRP A 68 1.309 4.620 -3.032 1.00 54.11 H new ATOM 0 HZ2 TRP A 68 -3.086 4.435 -0.706 1.00 2.34 H new ATOM 0 HZ3 TRP A 68 0.364 6.621 -1.960 1.00 14.22 H new ATOM 0 HH2 TRP A 68 -1.810 6.528 -0.816 1.00 32.11 H new ATOM 1017 N HIS A 69 3.175 2.594 -6.584 1.00 3.33 N ATOM 1018 CA HIS A 69 4.253 2.145 -7.456 1.00 33.40 C ATOM 1019 C HIS A 69 5.287 3.267 -7.616 1.00 60.22 C ATOM 1020 O HIS A 69 6.465 3.074 -7.325 1.00 74.34 O ATOM 1021 CB HIS A 69 3.707 1.702 -8.833 1.00 63.23 C ATOM 1022 CG HIS A 69 4.684 0.913 -9.666 1.00 4.34 C ATOM 1023 ND1 HIS A 69 4.775 -0.454 -9.598 1.00 22.14 N ATOM 1024 CD2 HIS A 69 5.611 1.300 -10.578 1.00 43.12 C ATOM 1025 CE1 HIS A 69 5.699 -0.880 -10.435 1.00 4.20 C ATOM 1026 NE2 HIS A 69 6.224 0.162 -11.040 1.00 41.33 N ATOM 0 H HIS A 69 3.111 3.609 -6.502 1.00 3.33 H new ATOM 0 HA HIS A 69 4.734 1.280 -7.000 1.00 33.40 H new ATOM 0 HB2 HIS A 69 2.811 1.100 -8.679 1.00 63.23 H new ATOM 0 HB3 HIS A 69 3.404 2.587 -9.392 1.00 63.23 H new ATOM 0 HD2 HIS A 69 5.826 2.313 -10.883 1.00 43.12 H new ATOM 0 HE1 HIS A 69 5.978 -1.911 -10.597 1.00 4.20 H new ATOM 0 HE2 HIS A 69 6.966 0.130 -11.739 1.00 41.33 H new ATOM 1035 N GLU A 70 4.823 4.437 -8.064 1.00 72.52 N ATOM 1036 CA GLU A 70 5.707 5.552 -8.433 1.00 11.32 C ATOM 1037 C GLU A 70 6.093 6.392 -7.216 1.00 63.03 C ATOM 1038 O GLU A 70 7.202 6.286 -6.696 1.00 63.41 O ATOM 1039 CB GLU A 70 5.043 6.471 -9.489 1.00 21.41 C ATOM 1040 CG GLU A 70 4.864 5.871 -10.883 1.00 22.23 C ATOM 1041 CD GLU A 70 3.816 4.777 -10.964 1.00 1.41 C ATOM 1042 OE1 GLU A 70 2.778 4.877 -10.270 1.00 41.41 O ATOM 1043 OE2 GLU A 70 4.036 3.813 -11.711 1.00 73.04 O ATOM 0 H GLU A 70 3.830 4.640 -8.182 1.00 72.52 H new ATOM 0 HA GLU A 70 6.607 5.107 -8.857 1.00 11.32 H new ATOM 0 HB2 GLU A 70 4.064 6.771 -9.116 1.00 21.41 H new ATOM 0 HB3 GLU A 70 5.641 7.378 -9.580 1.00 21.41 H new ATOM 0 HG2 GLU A 70 4.595 6.668 -11.576 1.00 22.23 H new ATOM 0 HG3 GLU A 70 5.820 5.467 -11.217 1.00 22.23 H new ATOM 1050 N GLN A 71 5.145 7.199 -6.752 1.00 21.02 N ATOM 1051 CA GLN A 71 5.363 8.138 -5.649 1.00 35.52 C ATOM 1052 C GLN A 71 5.204 7.464 -4.280 1.00 2.13 C ATOM 1053 O GLN A 71 5.465 8.076 -3.237 1.00 1.50 O ATOM 1054 CB GLN A 71 4.399 9.313 -5.788 1.00 33.43 C ATOM 1055 CG GLN A 71 2.945 8.892 -5.938 1.00 74.31 C ATOM 1056 CD GLN A 71 2.030 10.070 -6.093 1.00 45.35 C ATOM 1057 OE1 GLN A 71 1.557 10.609 -5.116 1.00 42.53 O ATOM 1058 NE2 GLN A 71 1.779 10.482 -7.321 1.00 41.15 N ATOM 0 H GLN A 71 4.198 7.223 -7.130 1.00 21.02 H new ATOM 0 HA GLN A 71 6.390 8.499 -5.705 1.00 35.52 H new ATOM 0 HB2 GLN A 71 4.494 9.956 -4.913 1.00 33.43 H new ATOM 0 HB3 GLN A 71 4.688 9.909 -6.654 1.00 33.43 H new ATOM 0 HG2 GLN A 71 2.845 8.239 -6.805 1.00 74.31 H new ATOM 0 HG3 GLN A 71 2.644 8.312 -5.066 1.00 74.31 H new ATOM 0 HE21 GLN A 71 2.198 10.000 -8.116 1.00 41.15 H new ATOM 0 HE22 GLN A 71 1.166 11.283 -7.475 1.00 41.15 H new ATOM 1067 N ALA A 72 4.780 6.194 -4.310 1.00 5.21 N ATOM 1068 CA ALA A 72 4.652 5.360 -3.116 1.00 43.25 C ATOM 1069 C ALA A 72 5.995 5.103 -2.444 1.00 10.11 C ATOM 1070 O ALA A 72 6.025 4.803 -1.269 1.00 10.34 O ATOM 1071 CB ALA A 72 4.004 4.040 -3.457 1.00 64.13 C ATOM 0 H ALA A 72 4.515 5.716 -5.171 1.00 5.21 H new ATOM 0 HA ALA A 72 4.024 5.910 -2.416 1.00 43.25 H new ATOM 0 HB1 ALA A 72 3.918 3.433 -2.555 1.00 64.13 H new ATOM 0 HB2 ALA A 72 3.012 4.218 -3.871 1.00 64.13 H new ATOM 0 HB3 ALA A 72 4.614 3.514 -4.191 1.00 64.13 H new ATOM 1077 N GLU A 73 7.086 5.199 -3.228 1.00 53.11 N ATOM 1078 CA GLU A 73 8.473 5.059 -2.744 1.00 41.53 C ATOM 1079 C GLU A 73 8.804 6.044 -1.596 1.00 44.14 C ATOM 1080 O GLU A 73 9.555 5.707 -0.674 1.00 14.03 O ATOM 1081 CB GLU A 73 9.429 5.296 -3.920 1.00 53.53 C ATOM 1082 CG GLU A 73 10.897 5.068 -3.588 1.00 63.04 C ATOM 1083 CD GLU A 73 11.821 5.591 -4.658 1.00 1.31 C ATOM 1084 OE1 GLU A 73 12.127 6.801 -4.642 1.00 53.15 O ATOM 1085 OE2 GLU A 73 12.246 4.797 -5.515 1.00 72.13 O ATOM 0 H GLU A 73 7.028 5.379 -4.230 1.00 53.11 H new ATOM 0 HA GLU A 73 8.590 4.052 -2.342 1.00 41.53 H new ATOM 0 HB2 GLU A 73 9.147 4.637 -4.741 1.00 53.53 H new ATOM 0 HB3 GLU A 73 9.303 6.319 -4.275 1.00 53.53 H new ATOM 0 HG2 GLU A 73 11.131 5.554 -2.641 1.00 63.04 H new ATOM 0 HG3 GLU A 73 11.073 4.001 -3.451 1.00 63.04 H new ATOM 1092 N LYS A 74 8.233 7.248 -1.659 1.00 55.35 N ATOM 1093 CA LYS A 74 8.456 8.274 -0.631 1.00 72.14 C ATOM 1094 C LYS A 74 7.666 7.936 0.634 1.00 5.43 C ATOM 1095 O LYS A 74 8.149 8.105 1.757 1.00 41.53 O ATOM 1096 CB LYS A 74 8.037 9.666 -1.145 1.00 53.53 C ATOM 1097 CG LYS A 74 8.540 10.008 -2.547 1.00 51.32 C ATOM 1098 CD LYS A 74 10.052 9.899 -2.667 1.00 4.54 C ATOM 1099 CE LYS A 74 10.495 10.099 -4.101 1.00 54.40 C ATOM 1100 NZ LYS A 74 11.936 9.803 -4.274 1.00 4.24 N ATOM 0 H LYS A 74 7.610 7.540 -2.412 1.00 55.35 H new ATOM 0 HA LYS A 74 9.521 8.293 -0.398 1.00 72.14 H new ATOM 0 HB2 LYS A 74 6.949 9.728 -1.139 1.00 53.53 H new ATOM 0 HB3 LYS A 74 8.403 10.421 -0.449 1.00 53.53 H new ATOM 0 HG2 LYS A 74 8.072 9.340 -3.270 1.00 51.32 H new ATOM 0 HG3 LYS A 74 8.231 11.021 -2.803 1.00 51.32 H new ATOM 0 HD2 LYS A 74 10.526 10.644 -2.028 1.00 4.54 H new ATOM 0 HD3 LYS A 74 10.380 8.921 -2.314 1.00 4.54 H new ATOM 0 HE2 LYS A 74 9.910 9.454 -4.756 1.00 54.40 H new ATOM 0 HE3 LYS A 74 10.295 11.127 -4.404 1.00 54.40 H new ATOM 0 HZ1 LYS A 74 12.302 10.326 -5.095 1.00 4.24 H new ATOM 0 HZ2 LYS A 74 12.455 10.092 -3.420 1.00 4.24 H new ATOM 0 HZ3 LYS A 74 12.065 8.783 -4.428 1.00 4.24 H new ATOM 1114 N VAL A 75 6.460 7.428 0.410 1.00 72.11 N ATOM 1115 CA VAL A 75 5.496 7.116 1.458 1.00 32.45 C ATOM 1116 C VAL A 75 5.910 5.858 2.252 1.00 2.04 C ATOM 1117 O VAL A 75 5.777 5.811 3.481 1.00 44.41 O ATOM 1118 CB VAL A 75 4.094 6.923 0.812 1.00 34.33 C ATOM 1119 CG1 VAL A 75 3.025 6.688 1.854 1.00 11.43 C ATOM 1120 CG2 VAL A 75 3.720 8.124 -0.048 1.00 34.44 C ATOM 0 H VAL A 75 6.117 7.217 -0.527 1.00 72.11 H new ATOM 0 HA VAL A 75 5.464 7.944 2.166 1.00 32.45 H new ATOM 0 HB VAL A 75 4.154 6.037 0.180 1.00 34.33 H new ATOM 0 HG11 VAL A 75 2.061 6.558 1.363 1.00 11.43 H new ATOM 0 HG12 VAL A 75 3.265 5.792 2.426 1.00 11.43 H new ATOM 0 HG13 VAL A 75 2.977 7.545 2.526 1.00 11.43 H new ATOM 0 HG21 VAL A 75 2.736 7.964 -0.488 1.00 34.44 H new ATOM 0 HG22 VAL A 75 3.700 9.022 0.570 1.00 34.44 H new ATOM 0 HG23 VAL A 75 4.457 8.247 -0.842 1.00 34.44 H new ATOM 1130 N GLU A 76 6.426 4.860 1.529 1.00 4.32 N ATOM 1131 CA GLU A 76 6.835 3.574 2.102 1.00 5.31 C ATOM 1132 C GLU A 76 8.081 3.701 2.995 1.00 30.23 C ATOM 1133 O GLU A 76 8.204 2.987 3.988 1.00 21.32 O ATOM 1134 CB GLU A 76 7.059 2.535 0.984 1.00 50.15 C ATOM 1135 CG GLU A 76 8.208 2.834 0.033 1.00 2.23 C ATOM 1136 CD GLU A 76 9.358 1.855 0.148 1.00 61.05 C ATOM 1137 OE1 GLU A 76 10.116 1.929 1.134 1.00 63.30 O ATOM 1138 OE2 GLU A 76 9.509 1.007 -0.747 1.00 41.12 O ATOM 0 H GLU A 76 6.573 4.922 0.522 1.00 4.32 H new ATOM 0 HA GLU A 76 6.024 3.231 2.744 1.00 5.31 H new ATOM 0 HB2 GLU A 76 7.235 1.563 1.445 1.00 50.15 H new ATOM 0 HB3 GLU A 76 6.141 2.450 0.402 1.00 50.15 H new ATOM 0 HG2 GLU A 76 7.834 2.824 -0.991 1.00 2.23 H new ATOM 0 HG3 GLU A 76 8.578 3.841 0.228 1.00 2.23 H new ATOM 1145 N ALA A 77 8.999 4.612 2.624 1.00 74.24 N ATOM 1146 CA ALA A 77 10.200 4.899 3.414 1.00 22.51 C ATOM 1147 C ALA A 77 9.841 5.532 4.756 1.00 44.41 C ATOM 1148 O ALA A 77 10.500 5.287 5.771 1.00 71.43 O ATOM 1149 CB ALA A 77 11.118 5.816 2.633 1.00 33.23 C ATOM 0 H ALA A 77 8.925 5.166 1.770 1.00 74.24 H new ATOM 0 HA ALA A 77 10.712 3.958 3.614 1.00 22.51 H new ATOM 0 HB1 ALA A 77 12.010 6.027 3.223 1.00 33.23 H new ATOM 0 HB2 ALA A 77 11.407 5.333 1.700 1.00 33.23 H new ATOM 0 HB3 ALA A 77 10.599 6.749 2.413 1.00 33.23 H new ATOM 1155 N TYR A 78 8.767 6.323 4.743 1.00 74.44 N ATOM 1156 CA TYR A 78 8.241 6.954 5.940 1.00 4.23 C ATOM 1157 C TYR A 78 7.556 5.918 6.852 1.00 65.11 C ATOM 1158 O TYR A 78 7.584 6.055 8.067 1.00 22.43 O ATOM 1159 CB TYR A 78 7.277 8.078 5.559 1.00 40.14 C ATOM 1160 CG TYR A 78 7.012 9.051 6.678 1.00 44.15 C ATOM 1161 CD1 TYR A 78 7.975 9.977 7.046 1.00 10.33 C ATOM 1162 CD2 TYR A 78 5.809 9.042 7.368 1.00 71.33 C ATOM 1163 CE1 TYR A 78 7.752 10.867 8.071 1.00 35.01 C ATOM 1164 CE2 TYR A 78 5.577 9.931 8.395 1.00 2.12 C ATOM 1165 CZ TYR A 78 6.553 10.841 8.742 1.00 24.34 C ATOM 1166 OH TYR A 78 6.328 11.721 9.773 1.00 42.53 O ATOM 0 H TYR A 78 8.241 6.540 3.897 1.00 74.44 H new ATOM 0 HA TYR A 78 9.070 7.386 6.500 1.00 4.23 H new ATOM 0 HB2 TYR A 78 7.684 8.621 4.706 1.00 40.14 H new ATOM 0 HB3 TYR A 78 6.332 7.641 5.237 1.00 40.14 H new ATOM 0 HD1 TYR A 78 8.917 10.000 6.519 1.00 10.33 H new ATOM 0 HD2 TYR A 78 5.044 8.329 7.097 1.00 71.33 H new ATOM 0 HE1 TYR A 78 8.514 11.581 8.346 1.00 35.01 H new ATOM 0 HE2 TYR A 78 4.636 9.915 8.925 1.00 2.12 H new ATOM 0 HH TYR A 78 5.432 11.572 10.140 1.00 42.53 H new ATOM 1176 N LEU A 79 6.944 4.889 6.249 1.00 61.13 N ATOM 1177 CA LEU A 79 6.344 3.770 6.994 1.00 61.23 C ATOM 1178 C LEU A 79 7.418 2.989 7.766 1.00 14.13 C ATOM 1179 O LEU A 79 7.206 2.642 8.931 1.00 50.15 O ATOM 1180 CB LEU A 79 5.575 2.849 6.010 1.00 55.15 C ATOM 1181 CG LEU A 79 4.711 1.681 6.574 1.00 62.51 C ATOM 1182 CD1 LEU A 79 5.533 0.429 6.853 1.00 43.35 C ATOM 1183 CD2 LEU A 79 3.943 2.095 7.824 1.00 62.40 C ATOM 0 H LEU A 79 6.850 4.808 5.237 1.00 61.13 H new ATOM 0 HA LEU A 79 5.641 4.163 7.728 1.00 61.23 H new ATOM 0 HB2 LEU A 79 4.919 3.483 5.413 1.00 55.15 H new ATOM 0 HB3 LEU A 79 6.306 2.415 5.328 1.00 55.15 H new ATOM 0 HG LEU A 79 3.991 1.438 5.792 1.00 62.51 H new ATOM 0 HD11 LEU A 79 4.883 -0.353 7.244 1.00 43.35 H new ATOM 0 HD12 LEU A 79 5.998 0.086 5.929 1.00 43.35 H new ATOM 0 HD13 LEU A 79 6.307 0.658 7.586 1.00 43.35 H new ATOM 0 HD21 LEU A 79 3.354 1.252 8.185 1.00 62.40 H new ATOM 0 HD22 LEU A 79 4.646 2.404 8.598 1.00 62.40 H new ATOM 0 HD23 LEU A 79 3.279 2.926 7.585 1.00 62.40 H new ATOM 1195 N VAL A 80 8.552 2.715 7.107 1.00 22.35 N ATOM 1196 CA VAL A 80 9.644 1.946 7.720 1.00 73.54 C ATOM 1197 C VAL A 80 10.261 2.695 8.915 1.00 64.44 C ATOM 1198 O VAL A 80 10.521 2.087 9.950 1.00 62.44 O ATOM 1199 CB VAL A 80 10.751 1.566 6.685 1.00 42.11 C ATOM 1200 CG1 VAL A 80 11.844 0.709 7.319 1.00 31.11 C ATOM 1201 CG2 VAL A 80 10.155 0.829 5.489 1.00 21.43 C ATOM 0 H VAL A 80 8.737 3.014 6.150 1.00 22.35 H new ATOM 0 HA VAL A 80 9.201 1.020 8.086 1.00 73.54 H new ATOM 0 HB VAL A 80 11.198 2.499 6.342 1.00 42.11 H new ATOM 0 HG11 VAL A 80 12.596 0.465 6.569 1.00 31.11 H new ATOM 0 HG12 VAL A 80 12.311 1.260 8.135 1.00 31.11 H new ATOM 0 HG13 VAL A 80 11.406 -0.211 7.707 1.00 31.11 H new ATOM 0 HG21 VAL A 80 10.948 0.577 4.785 1.00 21.43 H new ATOM 0 HG22 VAL A 80 9.669 -0.085 5.830 1.00 21.43 H new ATOM 0 HG23 VAL A 80 9.422 1.468 4.996 1.00 21.43 H new ATOM 1211 N GLU A 81 10.435 4.018 8.804 1.00 31.41 N ATOM 1212 CA GLU A 81 11.009 4.802 9.902 1.00 65.33 C ATOM 1213 C GLU A 81 9.995 5.040 11.036 1.00 4.22 C ATOM 1214 O GLU A 81 10.392 5.264 12.181 1.00 14.43 O ATOM 1215 CB GLU A 81 11.589 6.131 9.397 1.00 32.12 C ATOM 1216 CG GLU A 81 10.572 7.076 8.783 1.00 34.00 C ATOM 1217 CD GLU A 81 11.191 8.342 8.257 1.00 43.35 C ATOM 1218 OE1 GLU A 81 11.766 8.307 7.157 1.00 55.15 O ATOM 1219 OE2 GLU A 81 11.103 9.379 8.940 1.00 14.54 O ATOM 0 H GLU A 81 10.190 4.561 7.976 1.00 31.41 H new ATOM 0 HA GLU A 81 11.826 4.212 10.317 1.00 65.33 H new ATOM 0 HB2 GLU A 81 12.079 6.637 10.229 1.00 32.12 H new ATOM 0 HB3 GLU A 81 12.359 5.917 8.656 1.00 32.12 H new ATOM 0 HG2 GLU A 81 10.054 6.566 7.971 1.00 34.00 H new ATOM 0 HG3 GLU A 81 9.821 7.329 9.531 1.00 34.00 H new ATOM 1226 N LYS A 82 8.691 4.992 10.721 1.00 40.12 N ATOM 1227 CA LYS A 82 7.645 5.113 11.736 1.00 62.21 C ATOM 1228 C LYS A 82 7.477 3.829 12.521 1.00 13.35 C ATOM 1229 O LYS A 82 7.125 3.885 13.700 1.00 14.41 O ATOM 1230 CB LYS A 82 6.297 5.483 11.098 1.00 31.51 C ATOM 1231 CG LYS A 82 6.110 6.969 10.846 1.00 23.51 C ATOM 1232 CD LYS A 82 6.093 7.754 12.145 1.00 40.05 C ATOM 1233 CE LYS A 82 5.869 9.231 11.903 1.00 63.12 C ATOM 1234 NZ LYS A 82 5.874 10.005 13.161 1.00 62.42 N ATOM 0 H LYS A 82 8.341 4.870 9.771 1.00 40.12 H new ATOM 0 HA LYS A 82 7.959 5.906 12.415 1.00 62.21 H new ATOM 0 HB2 LYS A 82 6.198 4.951 10.152 1.00 31.51 H new ATOM 0 HB3 LYS A 82 5.494 5.133 11.746 1.00 31.51 H new ATOM 0 HG2 LYS A 82 6.915 7.335 10.208 1.00 23.51 H new ATOM 0 HG3 LYS A 82 5.177 7.134 10.308 1.00 23.51 H new ATOM 0 HD2 LYS A 82 5.306 7.368 12.793 1.00 40.05 H new ATOM 0 HD3 LYS A 82 7.038 7.610 12.670 1.00 40.05 H new ATOM 0 HE2 LYS A 82 6.646 9.612 11.240 1.00 63.12 H new ATOM 0 HE3 LYS A 82 4.916 9.374 11.393 1.00 63.12 H new ATOM 0 HZ1 LYS A 82 5.785 11.019 12.945 1.00 62.42 H new ATOM 0 HZ2 LYS A 82 5.075 9.706 13.756 1.00 62.42 H new ATOM 0 HZ3 LYS A 82 6.766 9.836 13.669 1.00 62.42 H new ATOM 1248 N GLN A 83 7.715 2.686 11.832 1.00 22.10 N ATOM 1249 CA GLN A 83 7.544 1.319 12.372 1.00 4.21 C ATOM 1250 C GLN A 83 6.073 1.016 12.696 1.00 3.12 C ATOM 1251 O GLN A 83 5.764 0.001 13.321 1.00 55.01 O ATOM 1252 CB GLN A 83 8.420 1.088 13.623 1.00 70.43 C ATOM 1253 CG GLN A 83 9.914 1.070 13.353 1.00 32.24 C ATOM 1254 CD GLN A 83 10.381 -0.244 12.775 1.00 61.20 C ATOM 1255 OE1 GLN A 83 10.761 -1.153 13.505 1.00 2.41 O ATOM 1256 NE2 GLN A 83 10.344 -0.361 11.466 1.00 75.43 N ATOM 0 H GLN A 83 8.038 2.691 10.865 1.00 22.10 H new ATOM 0 HA GLN A 83 7.871 0.632 11.591 1.00 4.21 H new ATOM 0 HB2 GLN A 83 8.205 1.870 14.351 1.00 70.43 H new ATOM 0 HB3 GLN A 83 8.135 0.140 14.080 1.00 70.43 H new ATOM 0 HG2 GLN A 83 10.165 1.876 12.664 1.00 32.24 H new ATOM 0 HG3 GLN A 83 10.450 1.266 14.282 1.00 32.24 H new ATOM 0 HE21 GLN A 83 10.021 0.419 10.893 1.00 75.43 H new ATOM 0 HE22 GLN A 83 10.638 -1.232 11.023 1.00 75.43 H new ATOM 1265 N ASP A 84 5.169 1.868 12.215 1.00 72.45 N ATOM 1266 CA ASP A 84 3.794 1.848 12.658 1.00 45.03 C ATOM 1267 C ASP A 84 2.857 2.269 11.526 1.00 34.34 C ATOM 1268 O ASP A 84 3.028 3.342 10.941 1.00 51.22 O ATOM 1269 CB ASP A 84 3.628 2.777 13.864 1.00 74.24 C ATOM 1270 CG ASP A 84 2.324 2.545 14.577 1.00 52.32 C ATOM 1271 OD1 ASP A 84 2.224 1.548 15.313 1.00 21.14 O ATOM 1272 OD2 ASP A 84 1.395 3.336 14.384 1.00 53.13 O ATOM 0 H ASP A 84 5.375 2.581 11.515 1.00 72.45 H new ATOM 0 HA ASP A 84 3.533 0.832 12.953 1.00 45.03 H new ATOM 0 HB2 ASP A 84 4.454 2.621 14.558 1.00 74.24 H new ATOM 0 HB3 ASP A 84 3.681 3.814 13.533 1.00 74.24 H new ATOM 1277 N PRO A 85 1.851 1.418 11.201 1.00 3.01 N ATOM 1278 CA PRO A 85 0.901 1.665 10.097 1.00 4.35 C ATOM 1279 C PRO A 85 -0.199 2.704 10.389 1.00 23.25 C ATOM 1280 O PRO A 85 -1.052 2.934 9.542 1.00 70.35 O ATOM 1281 CB PRO A 85 0.255 0.296 9.914 1.00 74.32 C ATOM 1282 CG PRO A 85 0.278 -0.310 11.268 1.00 34.34 C ATOM 1283 CD PRO A 85 1.586 0.112 11.856 1.00 63.25 C ATOM 0 HA PRO A 85 1.423 2.078 9.234 1.00 4.35 H new ATOM 0 HB2 PRO A 85 -0.764 0.385 9.536 1.00 74.32 H new ATOM 0 HB3 PRO A 85 0.808 -0.311 9.198 1.00 74.32 H new ATOM 0 HG2 PRO A 85 -0.558 0.041 11.872 1.00 34.34 H new ATOM 0 HG3 PRO A 85 0.200 -1.396 11.216 1.00 34.34 H new ATOM 0 HD2 PRO A 85 1.526 0.211 12.940 1.00 63.25 H new ATOM 0 HD3 PRO A 85 2.374 -0.611 11.645 1.00 63.25 H new ATOM 1291 N THR A 86 -0.205 3.312 11.570 1.00 3.34 N ATOM 1292 CA THR A 86 -1.237 4.294 11.882 1.00 20.31 C ATOM 1293 C THR A 86 -0.637 5.582 12.477 1.00 13.21 C ATOM 1294 O THR A 86 -1.369 6.502 12.861 1.00 5.24 O ATOM 1295 CB THR A 86 -2.353 3.680 12.796 1.00 12.31 C ATOM 1296 OG1 THR A 86 -3.459 4.582 12.937 1.00 23.30 O ATOM 1297 CG2 THR A 86 -1.838 3.307 14.176 1.00 71.45 C ATOM 0 H THR A 86 0.476 3.148 12.312 1.00 3.34 H new ATOM 0 HA THR A 86 -1.715 4.578 10.945 1.00 20.31 H new ATOM 0 HB THR A 86 -2.682 2.768 12.298 1.00 12.31 H new ATOM 0 HG1 THR A 86 -3.133 5.506 12.911 1.00 23.30 H new ATOM 0 HG21 THR A 86 -2.652 2.887 14.767 1.00 71.45 H new ATOM 0 HG22 THR A 86 -1.041 2.570 14.080 1.00 71.45 H new ATOM 0 HG23 THR A 86 -1.451 4.197 14.673 1.00 71.45 H new ATOM 1305 N ASP A 87 0.700 5.677 12.502 1.00 52.30 N ATOM 1306 CA ASP A 87 1.359 6.875 13.015 1.00 35.42 C ATOM 1307 C ASP A 87 1.543 7.884 11.881 1.00 45.42 C ATOM 1308 O ASP A 87 2.593 7.950 11.233 1.00 50.43 O ATOM 1309 CB ASP A 87 2.697 6.542 13.678 1.00 1.21 C ATOM 1310 CG ASP A 87 3.100 7.599 14.691 1.00 40.44 C ATOM 1311 OD1 ASP A 87 3.549 8.686 14.291 1.00 52.04 O ATOM 1312 OD2 ASP A 87 2.954 7.351 15.900 1.00 65.53 O ATOM 0 H ASP A 87 1.334 4.947 12.177 1.00 52.30 H new ATOM 0 HA ASP A 87 0.725 7.316 13.784 1.00 35.42 H new ATOM 0 HB2 ASP A 87 2.627 5.573 14.172 1.00 1.21 H new ATOM 0 HB3 ASP A 87 3.470 6.456 12.914 1.00 1.21 H new ATOM 1317 N ILE A 88 0.477 8.632 11.628 1.00 2.30 N ATOM 1318 CA ILE A 88 0.410 9.571 10.523 1.00 72.43 C ATOM 1319 C ILE A 88 -0.784 10.522 10.748 1.00 63.24 C ATOM 1320 O ILE A 88 -1.800 10.128 11.334 1.00 22.52 O ATOM 1321 CB ILE A 88 0.301 8.810 9.155 1.00 12.23 C ATOM 1322 CG1 ILE A 88 0.438 9.762 7.959 1.00 44.14 C ATOM 1323 CG2 ILE A 88 -0.994 8.003 9.055 1.00 11.20 C ATOM 1324 CD1 ILE A 88 1.827 10.346 7.794 1.00 43.11 C ATOM 0 H ILE A 88 -0.373 8.601 12.192 1.00 2.30 H new ATOM 0 HA ILE A 88 1.325 10.162 10.483 1.00 72.43 H new ATOM 0 HB ILE A 88 1.136 8.110 9.122 1.00 12.23 H new ATOM 0 HG12 ILE A 88 0.169 9.226 7.048 1.00 44.14 H new ATOM 0 HG13 ILE A 88 -0.277 10.577 8.072 1.00 44.14 H new ATOM 0 HG21 ILE A 88 -1.031 7.491 8.093 1.00 11.20 H new ATOM 0 HG22 ILE A 88 -1.027 7.267 9.859 1.00 11.20 H new ATOM 0 HG23 ILE A 88 -1.849 8.674 9.142 1.00 11.20 H new ATOM 0 HD11 ILE A 88 1.843 11.008 6.928 1.00 43.11 H new ATOM 0 HD12 ILE A 88 2.093 10.911 8.687 1.00 43.11 H new ATOM 0 HD13 ILE A 88 2.546 9.540 7.648 1.00 43.11 H new ATOM 1336 N LYS A 89 -0.639 11.777 10.338 1.00 10.51 N ATOM 1337 CA LYS A 89 -1.706 12.754 10.490 1.00 10.31 C ATOM 1338 C LYS A 89 -1.911 13.515 9.182 1.00 11.30 C ATOM 1339 O LYS A 89 -0.955 14.018 8.580 1.00 33.31 O ATOM 1340 CB LYS A 89 -1.378 13.712 11.641 1.00 72.44 C ATOM 1341 CG LYS A 89 -2.554 14.548 12.110 1.00 73.14 C ATOM 1342 CD LYS A 89 -2.193 15.364 13.338 1.00 62.42 C ATOM 1343 CE LYS A 89 -3.372 16.182 13.824 1.00 50.54 C ATOM 1344 NZ LYS A 89 -3.046 16.945 15.051 1.00 14.04 N ATOM 0 H LYS A 89 0.207 12.140 9.898 1.00 10.51 H new ATOM 0 HA LYS A 89 -2.635 12.238 10.730 1.00 10.31 H new ATOM 0 HB2 LYS A 89 -0.999 13.133 12.484 1.00 72.44 H new ATOM 0 HB3 LYS A 89 -0.575 14.379 11.326 1.00 72.44 H new ATOM 0 HG2 LYS A 89 -2.873 15.214 11.308 1.00 73.14 H new ATOM 0 HG3 LYS A 89 -3.398 13.897 12.338 1.00 73.14 H new ATOM 0 HD2 LYS A 89 -1.857 14.698 14.133 1.00 62.42 H new ATOM 0 HD3 LYS A 89 -1.360 16.027 13.104 1.00 62.42 H new ATOM 0 HE2 LYS A 89 -3.683 16.872 13.040 1.00 50.54 H new ATOM 0 HE3 LYS A 89 -4.216 15.521 14.021 1.00 50.54 H new ATOM 0 HZ1 LYS A 89 -3.878 17.491 15.351 1.00 14.04 H new ATOM 0 HZ2 LYS A 89 -2.773 16.286 15.808 1.00 14.04 H new ATOM 0 HZ3 LYS A 89 -2.257 17.594 14.857 1.00 14.04 H new ATOM 1358 N TYR A 90 -3.162 13.576 8.740 1.00 12.23 N ATOM 1359 CA TYR A 90 -3.510 14.236 7.488 1.00 21.02 C ATOM 1360 C TYR A 90 -4.310 15.503 7.749 1.00 2.32 C ATOM 1361 O TYR A 90 -5.184 15.531 8.618 1.00 53.12 O ATOM 1362 CB TYR A 90 -4.350 13.329 6.573 1.00 32.53 C ATOM 1363 CG TYR A 90 -3.829 11.917 6.415 1.00 30.03 C ATOM 1364 CD1 TYR A 90 -2.805 11.631 5.530 1.00 51.34 C ATOM 1365 CD2 TYR A 90 -4.374 10.873 7.145 1.00 73.44 C ATOM 1366 CE1 TYR A 90 -2.336 10.345 5.379 1.00 34.53 C ATOM 1367 CE2 TYR A 90 -3.909 9.585 7.001 1.00 62.12 C ATOM 1368 CZ TYR A 90 -2.892 9.328 6.117 1.00 0.31 C ATOM 1369 OH TYR A 90 -2.427 8.044 5.967 1.00 31.11 O ATOM 0 H TYR A 90 -3.957 13.173 9.235 1.00 12.23 H new ATOM 0 HA TYR A 90 -2.567 14.473 6.995 1.00 21.02 H new ATOM 0 HB2 TYR A 90 -5.366 13.283 6.966 1.00 32.53 H new ATOM 0 HB3 TYR A 90 -4.410 13.790 5.587 1.00 32.53 H new ATOM 0 HD1 TYR A 90 -2.367 12.429 4.949 1.00 51.34 H new ATOM 0 HD2 TYR A 90 -5.177 11.073 7.839 1.00 73.44 H new ATOM 0 HE1 TYR A 90 -1.536 10.137 4.684 1.00 34.53 H new ATOM 0 HE2 TYR A 90 -4.342 8.783 7.580 1.00 62.12 H new ATOM 0 HH TYR A 90 -1.448 8.044 6.004 1.00 31.11 H new ATOM 1379 N LYS A 91 -4.020 16.530 6.974 1.00 44.31 N ATOM 1380 CA LYS A 91 -4.794 17.762 6.993 1.00 33.45 C ATOM 1381 C LYS A 91 -5.430 17.970 5.624 1.00 42.41 C ATOM 1382 O LYS A 91 -4.883 18.675 4.776 1.00 74.41 O ATOM 1383 CB LYS A 91 -3.918 18.986 7.398 1.00 5.53 C ATOM 1384 CG LYS A 91 -2.381 18.803 7.309 1.00 11.40 C ATOM 1385 CD LYS A 91 -1.803 18.824 5.885 1.00 33.03 C ATOM 1386 CE LYS A 91 -2.011 20.166 5.195 1.00 62.50 C ATOM 1387 NZ LYS A 91 -1.149 20.330 4.000 1.00 31.05 N ATOM 0 H LYS A 91 -3.243 16.537 6.313 1.00 44.31 H new ATOM 0 HA LYS A 91 -5.577 17.675 7.747 1.00 33.45 H new ATOM 0 HB2 LYS A 91 -4.197 19.828 6.765 1.00 5.53 H new ATOM 0 HB3 LYS A 91 -4.169 19.260 8.423 1.00 5.53 H new ATOM 0 HG2 LYS A 91 -1.903 19.591 7.890 1.00 11.40 H new ATOM 0 HG3 LYS A 91 -2.116 17.856 7.778 1.00 11.40 H new ATOM 0 HD2 LYS A 91 -0.737 18.600 5.925 1.00 33.03 H new ATOM 0 HD3 LYS A 91 -2.272 18.038 5.294 1.00 33.03 H new ATOM 0 HE2 LYS A 91 -3.056 20.261 4.901 1.00 62.50 H new ATOM 0 HE3 LYS A 91 -1.804 20.970 5.901 1.00 62.50 H new ATOM 0 HZ1 LYS A 91 -1.341 21.251 3.557 1.00 31.05 H new ATOM 0 HZ2 LYS A 91 -0.150 20.283 4.284 1.00 31.05 H new ATOM 0 HZ3 LYS A 91 -1.351 19.570 3.319 1.00 31.05 H new ATOM 1401 N ASP A 92 -6.583 17.337 5.386 1.00 22.13 N ATOM 1402 CA ASP A 92 -7.137 17.265 4.035 1.00 3.53 C ATOM 1403 C ASP A 92 -8.624 16.866 4.084 1.00 55.03 C ATOM 1404 O ASP A 92 -9.188 16.693 5.165 1.00 22.33 O ATOM 1405 CB ASP A 92 -6.318 16.240 3.238 1.00 44.32 C ATOM 1406 CG ASP A 92 -6.497 16.327 1.736 1.00 15.34 C ATOM 1407 OD1 ASP A 92 -6.241 17.395 1.159 1.00 62.33 O ATOM 1408 OD2 ASP A 92 -6.888 15.318 1.132 1.00 21.22 O ATOM 0 H ASP A 92 -7.143 16.874 6.102 1.00 22.13 H new ATOM 0 HA ASP A 92 -7.078 18.239 3.550 1.00 3.53 H new ATOM 0 HB2 ASP A 92 -5.262 16.374 3.474 1.00 44.32 H new ATOM 0 HB3 ASP A 92 -6.594 15.238 3.567 1.00 44.32 H new ATOM 1413 N ASN A 93 -9.247 16.733 2.910 1.00 21.20 N ATOM 1414 CA ASN A 93 -10.585 16.163 2.780 1.00 23.44 C ATOM 1415 C ASN A 93 -10.520 14.640 2.658 1.00 41.23 C ATOM 1416 O ASN A 93 -11.491 13.954 2.964 1.00 3.25 O ATOM 1417 CB ASN A 93 -11.303 16.709 1.538 1.00 5.03 C ATOM 1418 CG ASN A 93 -11.632 18.184 1.622 1.00 75.35 C ATOM 1419 OD1 ASN A 93 -12.677 18.566 2.142 1.00 21.12 O ATOM 1420 ND2 ASN A 93 -10.763 19.021 1.079 1.00 54.21 N ATOM 0 H ASN A 93 -8.834 17.019 2.022 1.00 21.20 H new ATOM 0 HA ASN A 93 -11.136 16.443 3.678 1.00 23.44 H new ATOM 0 HB2 ASN A 93 -10.678 16.535 0.662 1.00 5.03 H new ATOM 0 HB3 ASN A 93 -12.226 16.148 1.387 1.00 5.03 H new ATOM 0 HD21 ASN A 93 -10.950 20.024 1.083 1.00 54.21 H new ATOM 0 HD22 ASN A 93 -9.906 18.664 0.657 1.00 54.21 H new ATOM 1427 N ASP A 94 -9.371 14.111 2.226 1.00 22.23 N ATOM 1428 CA ASP A 94 -9.265 12.701 1.887 1.00 21.32 C ATOM 1429 C ASP A 94 -8.129 12.071 2.670 1.00 60.02 C ATOM 1430 O ASP A 94 -8.344 11.099 3.387 1.00 74.03 O ATOM 1431 CB ASP A 94 -9.034 12.504 0.378 1.00 63.32 C ATOM 1432 CG ASP A 94 -9.617 11.201 -0.137 1.00 21.22 C ATOM 1433 OD1 ASP A 94 -9.098 10.121 0.200 1.00 54.43 O ATOM 1434 OD2 ASP A 94 -10.602 11.250 -0.895 1.00 10.11 O ATOM 0 H ASP A 94 -8.508 14.641 2.105 1.00 22.23 H new ATOM 0 HA ASP A 94 -10.205 12.216 2.150 1.00 21.32 H new ATOM 0 HB2 ASP A 94 -9.480 13.337 -0.166 1.00 63.32 H new ATOM 0 HB3 ASP A 94 -7.964 12.525 0.172 1.00 63.32 H new ATOM 1439 N GLY A 95 -6.935 12.656 2.570 1.00 50.14 N ATOM 1440 CA GLY A 95 -5.781 12.070 3.212 1.00 1.12 C ATOM 1441 C GLY A 95 -4.457 12.571 2.671 1.00 43.32 C ATOM 1442 O GLY A 95 -3.645 11.791 2.205 1.00 44.15 O ATOM 0 H GLY A 95 -6.753 13.519 2.058 1.00 50.14 H new ATOM 0 HA2 GLY A 95 -5.828 12.278 4.281 1.00 1.12 H new ATOM 0 HA3 GLY A 95 -5.823 10.987 3.096 1.00 1.12 H new ATOM 1446 N HIS A 96 -4.225 13.867 2.763 1.00 43.45 N ATOM 1447 CA HIS A 96 -2.931 14.447 2.409 1.00 0.53 C ATOM 1448 C HIS A 96 -2.180 14.839 3.654 1.00 31.34 C ATOM 1449 O HIS A 96 -2.720 15.503 4.533 1.00 70.43 O ATOM 1450 CB HIS A 96 -3.073 15.672 1.509 1.00 52.40 C ATOM 1451 CG HIS A 96 -3.331 15.345 0.075 1.00 1.51 C ATOM 1452 ND1 HIS A 96 -4.315 15.956 -0.665 1.00 2.34 N ATOM 1453 CD2 HIS A 96 -2.728 14.469 -0.752 1.00 74.34 C ATOM 1454 CE1 HIS A 96 -4.298 15.481 -1.885 1.00 72.13 C ATOM 1455 NE2 HIS A 96 -3.349 14.576 -1.966 1.00 72.42 N ATOM 0 H HIS A 96 -4.916 14.546 3.081 1.00 43.45 H new ATOM 0 HA HIS A 96 -2.381 13.683 1.859 1.00 0.53 H new ATOM 0 HB2 HIS A 96 -3.888 16.292 1.882 1.00 52.40 H new ATOM 0 HB3 HIS A 96 -2.163 16.268 1.577 1.00 52.40 H new ATOM 0 HD2 HIS A 96 -1.910 13.808 -0.504 1.00 74.34 H new ATOM 0 HE1 HIS A 96 -4.953 15.782 -2.689 1.00 72.13 H new ATOM 0 HE2 HIS A 96 -3.113 14.039 -2.801 1.00 72.42 H new ATOM 1464 N THR A 97 -0.928 14.453 3.698 1.00 62.12 N ATOM 1465 CA THR A 97 -0.108 14.665 4.867 1.00 73.32 C ATOM 1466 C THR A 97 1.014 15.657 4.558 1.00 44.30 C ATOM 1467 O THR A 97 1.511 15.726 3.429 1.00 63.35 O ATOM 1468 CB THR A 97 0.446 13.318 5.417 1.00 64.21 C ATOM 1469 OG1 THR A 97 1.250 13.541 6.576 1.00 14.24 O ATOM 1470 CG2 THR A 97 1.257 12.552 4.376 1.00 50.10 C ATOM 0 H THR A 97 -0.450 13.985 2.928 1.00 62.12 H new ATOM 0 HA THR A 97 -0.729 15.098 5.651 1.00 73.32 H new ATOM 0 HB THR A 97 -0.419 12.710 5.679 1.00 64.21 H new ATOM 0 HG1 THR A 97 0.672 13.735 7.343 1.00 14.24 H new ATOM 0 HG21 THR A 97 1.620 11.621 4.811 1.00 50.10 H new ATOM 0 HG22 THR A 97 0.626 12.329 3.515 1.00 50.10 H new ATOM 0 HG23 THR A 97 2.105 13.158 4.057 1.00 50.10 H new ATOM 1478 N ASP A 98 1.376 16.442 5.563 1.00 43.13 N ATOM 1479 CA ASP A 98 2.441 17.421 5.428 1.00 35.21 C ATOM 1480 C ASP A 98 3.761 16.828 5.933 1.00 2.01 C ATOM 1481 O ASP A 98 4.828 17.426 5.777 1.00 0.11 O ATOM 1482 CB ASP A 98 2.078 18.686 6.206 1.00 25.22 C ATOM 1483 CG ASP A 98 2.416 19.948 5.448 1.00 62.00 C ATOM 1484 OD1 ASP A 98 1.761 20.213 4.423 1.00 51.22 O ATOM 1485 OD2 ASP A 98 3.315 20.687 5.877 1.00 64.23 O ATOM 0 H ASP A 98 0.943 16.418 6.486 1.00 43.13 H new ATOM 0 HA ASP A 98 2.564 17.684 4.377 1.00 35.21 H new ATOM 0 HB2 ASP A 98 1.012 18.676 6.432 1.00 25.22 H new ATOM 0 HB3 ASP A 98 2.606 18.686 7.160 1.00 25.22 H new ATOM 1490 N ALA A 99 3.661 15.625 6.519 1.00 22.53 N ATOM 1491 CA ALA A 99 4.806 14.892 7.041 1.00 64.40 C ATOM 1492 C ALA A 99 5.568 14.207 5.908 1.00 4.04 C ATOM 1493 O ALA A 99 6.792 14.087 5.960 1.00 64.42 O ATOM 1494 CB ALA A 99 4.344 13.869 8.064 1.00 10.25 C ATOM 0 H ALA A 99 2.774 15.137 6.641 1.00 22.53 H new ATOM 0 HA ALA A 99 5.480 15.597 7.527 1.00 64.40 H new ATOM 0 HB1 ALA A 99 5.206 13.325 8.450 1.00 10.25 H new ATOM 0 HB2 ALA A 99 3.839 14.378 8.885 1.00 10.25 H new ATOM 0 HB3 ALA A 99 3.654 13.169 7.593 1.00 10.25 H new ATOM 1500 N ILE A 100 4.831 13.723 4.902 1.00 11.34 N ATOM 1501 CA ILE A 100 5.440 13.257 3.656 1.00 13.03 C ATOM 1502 C ILE A 100 5.143 14.282 2.561 1.00 11.11 C ATOM 1503 O ILE A 100 4.172 14.146 1.804 1.00 12.54 O ATOM 1504 CB ILE A 100 4.929 11.855 3.198 1.00 23.45 C ATOM 1505 CG1 ILE A 100 4.760 10.910 4.395 1.00 12.32 C ATOM 1506 CG2 ILE A 100 5.903 11.239 2.183 1.00 10.34 C ATOM 1507 CD1 ILE A 100 3.990 9.641 4.085 1.00 2.33 C ATOM 0 H ILE A 100 3.814 13.645 4.928 1.00 11.34 H new ATOM 0 HA ILE A 100 6.510 13.154 3.836 1.00 13.03 H new ATOM 0 HB ILE A 100 3.956 11.991 2.726 1.00 23.45 H new ATOM 0 HG12 ILE A 100 5.747 10.640 4.771 1.00 12.32 H new ATOM 0 HG13 ILE A 100 4.249 11.445 5.196 1.00 12.32 H new ATOM 0 HG21 ILE A 100 5.534 10.261 1.872 1.00 10.34 H new ATOM 0 HG22 ILE A 100 5.982 11.891 1.313 1.00 10.34 H new ATOM 0 HG23 ILE A 100 6.885 11.127 2.643 1.00 10.34 H new ATOM 0 HD11 ILE A 100 3.917 9.031 4.985 1.00 2.33 H new ATOM 0 HD12 ILE A 100 2.989 9.898 3.739 1.00 2.33 H new ATOM 0 HD13 ILE A 100 4.510 9.081 3.308 1.00 2.33 H new ATOM 1519 N SER A 101 5.943 15.341 2.529 1.00 31.15 N ATOM 1520 CA SER A 101 5.792 16.396 1.542 1.00 43.34 C ATOM 1521 C SER A 101 6.446 15.965 0.227 1.00 3.32 C ATOM 1522 O SER A 101 7.670 15.997 0.077 1.00 45.31 O ATOM 1523 CB SER A 101 6.401 17.699 2.075 1.00 41.42 C ATOM 1524 OG SER A 101 5.992 18.820 1.314 1.00 51.12 O ATOM 0 H SER A 101 6.710 15.490 3.184 1.00 31.15 H new ATOM 0 HA SER A 101 4.734 16.577 1.351 1.00 43.34 H new ATOM 0 HB2 SER A 101 6.107 17.839 3.115 1.00 41.42 H new ATOM 0 HB3 SER A 101 7.488 17.626 2.058 1.00 41.42 H new ATOM 0 HG SER A 101 6.398 19.632 1.683 1.00 51.12 H new ATOM 1530 N GLY A 102 5.608 15.520 -0.697 1.00 45.33 N ATOM 1531 CA GLY A 102 6.080 14.955 -1.950 1.00 30.35 C ATOM 1532 C GLY A 102 5.076 13.987 -2.537 1.00 54.44 C ATOM 1533 O GLY A 102 5.167 13.617 -3.708 1.00 21.15 O ATOM 0 H GLY A 102 4.593 15.540 -0.601 1.00 45.33 H new ATOM 0 HA2 GLY A 102 6.272 15.757 -2.662 1.00 30.35 H new ATOM 0 HA3 GLY A 102 7.027 14.442 -1.785 1.00 30.35 H new ATOM 1537 N ALA A 103 4.117 13.572 -1.714 1.00 45.54 N ATOM 1538 CA ALA A 103 3.036 12.711 -2.159 1.00 34.53 C ATOM 1539 C ALA A 103 1.879 13.544 -2.709 1.00 0.04 C ATOM 1540 O ALA A 103 1.409 14.486 -2.065 1.00 74.52 O ATOM 1541 CB ALA A 103 2.568 11.828 -1.018 1.00 22.04 C ATOM 0 H ALA A 103 4.071 13.824 -0.727 1.00 45.54 H new ATOM 0 HA ALA A 103 3.405 12.072 -2.962 1.00 34.53 H new ATOM 0 HB1 ALA A 103 1.757 11.187 -1.363 1.00 22.04 H new ATOM 0 HB2 ALA A 103 3.397 11.211 -0.672 1.00 22.04 H new ATOM 0 HB3 ALA A 103 2.213 12.451 -0.197 1.00 22.04 H new ATOM 1547 N THR A 104 1.441 13.192 -3.906 1.00 71.14 N ATOM 1548 CA THR A 104 0.374 13.907 -4.596 1.00 24.20 C ATOM 1549 C THR A 104 -0.968 13.191 -4.399 1.00 11.32 C ATOM 1550 O THR A 104 -2.018 13.824 -4.368 1.00 52.32 O ATOM 1551 CB THR A 104 0.686 14.017 -6.107 1.00 73.44 C ATOM 1552 OG1 THR A 104 2.067 14.340 -6.292 1.00 50.33 O ATOM 1553 CG2 THR A 104 -0.163 15.089 -6.785 1.00 75.35 C ATOM 0 H THR A 104 1.815 12.401 -4.430 1.00 71.14 H new ATOM 0 HA THR A 104 0.308 14.909 -4.172 1.00 24.20 H new ATOM 0 HB THR A 104 0.453 13.054 -6.560 1.00 73.44 H new ATOM 0 HG1 THR A 104 2.262 14.407 -7.250 1.00 50.33 H new ATOM 0 HG21 THR A 104 0.087 15.134 -7.845 1.00 75.35 H new ATOM 0 HG22 THR A 104 -1.219 14.843 -6.671 1.00 75.35 H new ATOM 0 HG23 THR A 104 0.036 16.056 -6.324 1.00 75.35 H new ATOM 1561 N ILE A 105 -0.923 11.864 -4.258 1.00 53.44 N ATOM 1562 CA ILE A 105 -2.121 11.070 -4.023 1.00 13.12 C ATOM 1563 C ILE A 105 -2.389 10.989 -2.512 1.00 64.03 C ATOM 1564 O ILE A 105 -1.487 11.238 -1.698 1.00 34.10 O ATOM 1565 CB ILE A 105 -1.990 9.655 -4.690 1.00 25.11 C ATOM 1566 CG1 ILE A 105 -3.388 8.971 -4.861 1.00 20.41 C ATOM 1567 CG2 ILE A 105 -0.977 8.764 -3.953 1.00 73.15 C ATOM 1568 CD1 ILE A 105 -3.717 7.791 -3.942 1.00 53.43 C ATOM 0 H ILE A 105 -0.062 11.319 -4.304 1.00 53.44 H new ATOM 0 HA ILE A 105 -2.981 11.551 -4.490 1.00 13.12 H new ATOM 0 HB ILE A 105 -1.590 9.800 -5.693 1.00 25.11 H new ATOM 0 HG12 ILE A 105 -4.154 9.733 -4.717 1.00 20.41 H new ATOM 0 HG13 ILE A 105 -3.470 8.627 -5.892 1.00 20.41 H new ATOM 0 HG21 ILE A 105 -0.918 7.795 -4.448 1.00 73.15 H new ATOM 0 HG22 ILE A 105 0.004 9.239 -3.967 1.00 73.15 H new ATOM 0 HG23 ILE A 105 -1.298 8.625 -2.921 1.00 73.15 H new ATOM 0 HD11 ILE A 105 -4.715 7.418 -4.172 1.00 53.43 H new ATOM 0 HD12 ILE A 105 -2.988 6.996 -4.096 1.00 53.43 H new ATOM 0 HD13 ILE A 105 -3.683 8.119 -2.903 1.00 53.43 H new ATOM 1580 N LYS A 106 -3.643 10.717 -2.149 1.00 51.31 N ATOM 1581 CA LYS A 106 -4.033 10.515 -0.765 1.00 22.40 C ATOM 1582 C LYS A 106 -3.371 9.260 -0.166 1.00 21.54 C ATOM 1583 O LYS A 106 -3.584 8.123 -0.600 1.00 13.25 O ATOM 1584 CB LYS A 106 -5.573 10.501 -0.586 1.00 0.23 C ATOM 1585 CG LYS A 106 -6.370 9.495 -1.427 1.00 40.53 C ATOM 1586 CD LYS A 106 -6.667 10.006 -2.831 1.00 74.54 C ATOM 1587 CE LYS A 106 -7.734 9.179 -3.520 1.00 75.42 C ATOM 1588 NZ LYS A 106 -9.074 9.414 -2.922 1.00 33.35 N ATOM 0 H LYS A 106 -4.413 10.632 -2.812 1.00 51.31 H new ATOM 0 HA LYS A 106 -3.664 11.373 -0.203 1.00 22.40 H new ATOM 0 HB2 LYS A 106 -5.789 10.308 0.465 1.00 0.23 H new ATOM 0 HB3 LYS A 106 -5.948 11.500 -0.810 1.00 0.23 H new ATOM 0 HG2 LYS A 106 -5.811 8.562 -1.495 1.00 40.53 H new ATOM 0 HG3 LYS A 106 -7.309 9.268 -0.921 1.00 40.53 H new ATOM 0 HD2 LYS A 106 -6.991 11.045 -2.778 1.00 74.54 H new ATOM 0 HD3 LYS A 106 -5.753 9.987 -3.425 1.00 74.54 H new ATOM 0 HE2 LYS A 106 -7.759 9.427 -4.581 1.00 75.42 H new ATOM 0 HE3 LYS A 106 -7.481 8.121 -3.445 1.00 75.42 H new ATOM 0 HZ1 LYS A 106 -9.810 9.075 -3.574 1.00 33.35 H new ATOM 0 HZ2 LYS A 106 -9.147 8.901 -2.021 1.00 33.35 H new ATOM 0 HZ3 LYS A 106 -9.205 10.432 -2.752 1.00 33.35 H new ATOM 1602 N VAL A 107 -2.572 9.522 0.862 1.00 5.15 N ATOM 1603 CA VAL A 107 -1.743 8.538 1.566 1.00 23.14 C ATOM 1604 C VAL A 107 -2.589 7.676 2.537 1.00 44.20 C ATOM 1605 O VAL A 107 -2.133 6.639 3.035 1.00 41.24 O ATOM 1606 CB VAL A 107 -0.608 9.327 2.308 1.00 64.41 C ATOM 1607 CG1 VAL A 107 0.254 8.479 3.217 1.00 72.40 C ATOM 1608 CG2 VAL A 107 0.290 10.008 1.300 1.00 24.32 C ATOM 0 H VAL A 107 -2.477 10.462 1.247 1.00 5.15 H new ATOM 0 HA VAL A 107 -1.301 7.834 0.860 1.00 23.14 H new ATOM 0 HB VAL A 107 -1.126 10.048 2.941 1.00 64.41 H new ATOM 0 HG11 VAL A 107 1.011 9.105 3.688 1.00 72.40 H new ATOM 0 HG12 VAL A 107 -0.368 8.021 3.986 1.00 72.40 H new ATOM 0 HG13 VAL A 107 0.741 7.698 2.633 1.00 72.40 H new ATOM 0 HG21 VAL A 107 1.076 10.554 1.823 1.00 24.32 H new ATOM 0 HG22 VAL A 107 0.740 9.259 0.649 1.00 24.32 H new ATOM 0 HG23 VAL A 107 -0.298 10.703 0.701 1.00 24.32 H new ATOM 1618 N LYS A 108 -3.854 8.087 2.729 1.00 74.21 N ATOM 1619 CA LYS A 108 -4.786 7.440 3.661 1.00 70.43 C ATOM 1620 C LYS A 108 -4.997 5.949 3.374 1.00 32.51 C ATOM 1621 O LYS A 108 -5.146 5.177 4.304 1.00 62.21 O ATOM 1622 CB LYS A 108 -6.133 8.197 3.695 1.00 64.40 C ATOM 1623 CG LYS A 108 -6.757 8.494 2.327 1.00 14.24 C ATOM 1624 CD LYS A 108 -7.670 7.376 1.813 1.00 32.45 C ATOM 1625 CE LYS A 108 -8.961 7.251 2.613 1.00 42.44 C ATOM 1626 NZ LYS A 108 -9.772 8.495 2.555 1.00 23.13 N ATOM 0 H LYS A 108 -4.259 8.883 2.237 1.00 74.21 H new ATOM 0 HA LYS A 108 -4.324 7.492 4.647 1.00 70.43 H new ATOM 0 HB2 LYS A 108 -6.843 7.613 4.280 1.00 64.40 H new ATOM 0 HB3 LYS A 108 -5.987 9.141 4.221 1.00 64.40 H new ATOM 0 HG2 LYS A 108 -7.330 9.419 2.392 1.00 14.24 H new ATOM 0 HG3 LYS A 108 -5.960 8.663 1.603 1.00 14.24 H new ATOM 0 HD2 LYS A 108 -7.913 7.564 0.767 1.00 32.45 H new ATOM 0 HD3 LYS A 108 -7.132 6.429 1.850 1.00 32.45 H new ATOM 0 HE2 LYS A 108 -9.548 6.417 2.228 1.00 42.44 H new ATOM 0 HE3 LYS A 108 -8.724 7.021 3.652 1.00 42.44 H new ATOM 0 HZ1 LYS A 108 -10.777 8.261 2.688 1.00 23.13 H new ATOM 0 HZ2 LYS A 108 -9.465 9.145 3.307 1.00 23.13 H new ATOM 0 HZ3 LYS A 108 -9.642 8.951 1.629 1.00 23.13 H new ATOM 1640 N LYS A 109 -4.962 5.558 2.092 1.00 43.14 N ATOM 1641 CA LYS A 109 -5.198 4.173 1.682 1.00 13.43 C ATOM 1642 C LYS A 109 -3.977 3.286 1.965 1.00 51.12 C ATOM 1643 O LYS A 109 -4.132 2.106 2.267 1.00 22.31 O ATOM 1644 CB LYS A 109 -5.584 4.145 0.191 1.00 55.24 C ATOM 1645 CG LYS A 109 -5.832 2.748 -0.395 1.00 22.24 C ATOM 1646 CD LYS A 109 -6.368 2.828 -1.819 1.00 22.04 C ATOM 1647 CE LYS A 109 -5.339 3.437 -2.759 1.00 43.21 C ATOM 1648 NZ LYS A 109 -5.820 3.531 -4.158 1.00 52.25 N ATOM 0 H LYS A 109 -4.770 6.192 1.316 1.00 43.14 H new ATOM 0 HA LYS A 109 -6.021 3.765 2.269 1.00 13.43 H new ATOM 0 HB2 LYS A 109 -6.485 4.744 0.054 1.00 55.24 H new ATOM 0 HB3 LYS A 109 -4.791 4.626 -0.382 1.00 55.24 H new ATOM 0 HG2 LYS A 109 -4.903 2.178 -0.386 1.00 22.24 H new ATOM 0 HG3 LYS A 109 -6.542 2.210 0.233 1.00 22.24 H new ATOM 0 HD2 LYS A 109 -6.636 1.830 -2.166 1.00 22.04 H new ATOM 0 HD3 LYS A 109 -7.279 3.427 -1.835 1.00 22.04 H new ATOM 0 HE2 LYS A 109 -5.074 4.433 -2.404 1.00 43.21 H new ATOM 0 HE3 LYS A 109 -4.430 2.837 -2.732 1.00 43.21 H new ATOM 0 HZ1 LYS A 109 -5.163 4.116 -4.713 1.00 52.25 H new ATOM 0 HZ2 LYS A 109 -5.870 2.579 -4.573 1.00 52.25 H new ATOM 0 HZ3 LYS A 109 -6.765 3.965 -4.172 1.00 52.25 H new ATOM 1662 N PHE A 110 -2.777 3.871 1.896 1.00 21.12 N ATOM 1663 CA PHE A 110 -1.537 3.150 2.186 1.00 13.34 C ATOM 1664 C PHE A 110 -1.499 2.715 3.649 1.00 21.02 C ATOM 1665 O PHE A 110 -1.321 1.534 3.940 1.00 14.31 O ATOM 1666 CB PHE A 110 -0.309 4.024 1.850 1.00 1.23 C ATOM 1667 CG PHE A 110 0.997 3.422 2.281 1.00 11.23 C ATOM 1668 CD1 PHE A 110 1.545 2.343 1.611 1.00 51.42 C ATOM 1669 CD2 PHE A 110 1.651 3.917 3.391 1.00 15.00 C ATOM 1670 CE1 PHE A 110 2.719 1.767 2.050 1.00 0.03 C ATOM 1671 CE2 PHE A 110 2.824 3.357 3.827 1.00 15.31 C ATOM 1672 CZ PHE A 110 3.357 2.277 3.162 1.00 32.15 C ATOM 0 H PHE A 110 -2.640 4.849 1.640 1.00 21.12 H new ATOM 0 HA PHE A 110 -1.506 2.258 1.561 1.00 13.34 H new ATOM 0 HB2 PHE A 110 -0.281 4.198 0.774 1.00 1.23 H new ATOM 0 HB3 PHE A 110 -0.425 4.997 2.327 1.00 1.23 H new ATOM 0 HD1 PHE A 110 1.049 1.948 0.737 1.00 51.42 H new ATOM 0 HD2 PHE A 110 1.233 4.758 3.924 1.00 15.00 H new ATOM 0 HE1 PHE A 110 3.137 0.920 1.526 1.00 0.03 H new ATOM 0 HE2 PHE A 110 3.329 3.763 4.691 1.00 15.31 H new ATOM 0 HZ PHE A 110 4.275 1.828 3.511 1.00 32.15 H new ATOM 1682 N PHE A 111 -1.688 3.679 4.547 1.00 74.20 N ATOM 1683 CA PHE A 111 -1.641 3.416 5.978 1.00 14.31 C ATOM 1684 C PHE A 111 -2.862 2.616 6.453 1.00 33.25 C ATOM 1685 O PHE A 111 -2.746 1.841 7.388 1.00 20.42 O ATOM 1686 CB PHE A 111 -1.485 4.721 6.762 1.00 35.31 C ATOM 1687 CG PHE A 111 -0.065 5.248 6.794 1.00 70.23 C ATOM 1688 CD1 PHE A 111 0.824 4.821 7.767 1.00 74.02 C ATOM 1689 CD2 PHE A 111 0.377 6.169 5.866 1.00 23.43 C ATOM 1690 CE1 PHE A 111 2.118 5.303 7.814 1.00 24.24 C ATOM 1691 CE2 PHE A 111 1.675 6.654 5.907 1.00 74.32 C ATOM 1692 CZ PHE A 111 2.545 6.218 6.880 1.00 51.22 C ATOM 0 H PHE A 111 -1.876 4.652 4.305 1.00 74.20 H new ATOM 0 HA PHE A 111 -0.765 2.798 6.173 1.00 14.31 H new ATOM 0 HB2 PHE A 111 -2.134 5.478 6.322 1.00 35.31 H new ATOM 0 HB3 PHE A 111 -1.827 4.563 7.785 1.00 35.31 H new ATOM 0 HD1 PHE A 111 0.500 4.099 8.502 1.00 74.02 H new ATOM 0 HD2 PHE A 111 -0.297 6.517 5.097 1.00 23.43 H new ATOM 0 HE1 PHE A 111 2.794 4.961 8.584 1.00 24.24 H new ATOM 0 HE2 PHE A 111 2.004 7.375 5.174 1.00 74.32 H new ATOM 0 HZ PHE A 111 3.558 6.592 6.910 1.00 51.22 H new ATOM 1702 N ASP A 112 -4.001 2.763 5.752 1.00 53.21 N ATOM 1703 CA ASP A 112 -5.245 2.016 6.048 1.00 20.32 C ATOM 1704 C ASP A 112 -5.036 0.525 5.858 1.00 52.35 C ATOM 1705 O ASP A 112 -5.350 -0.291 6.723 1.00 21.20 O ATOM 1706 CB ASP A 112 -6.347 2.440 5.082 1.00 30.14 C ATOM 1707 CG ASP A 112 -7.737 2.159 5.607 1.00 1.23 C ATOM 1708 OD1 ASP A 112 -8.263 2.989 6.374 1.00 43.22 O ATOM 1709 OD2 ASP A 112 -8.320 1.119 5.246 1.00 41.12 O ATOM 0 H ASP A 112 -4.089 3.403 4.963 1.00 53.21 H new ATOM 0 HA ASP A 112 -5.520 2.232 7.080 1.00 20.32 H new ATOM 0 HB2 ASP A 112 -6.251 3.506 4.877 1.00 30.14 H new ATOM 0 HB3 ASP A 112 -6.211 1.919 4.134 1.00 30.14 H new ATOM 1714 N LEU A 113 -4.472 0.205 4.701 1.00 22.31 N ATOM 1715 CA LEU A 113 -4.279 -1.159 4.260 1.00 61.04 C ATOM 1716 C LEU A 113 -3.090 -1.818 4.953 1.00 20.43 C ATOM 1717 O LEU A 113 -3.046 -3.037 5.078 1.00 0.45 O ATOM 1718 CB LEU A 113 -4.121 -1.193 2.734 1.00 14.21 C ATOM 1719 CG LEU A 113 -5.397 -1.471 1.931 1.00 22.24 C ATOM 1720 CD1 LEU A 113 -6.040 -2.737 2.439 1.00 61.32 C ATOM 1721 CD2 LEU A 113 -6.384 -0.314 1.997 1.00 21.42 C ATOM 0 H LEU A 113 -4.133 0.900 4.037 1.00 22.31 H new ATOM 0 HA LEU A 113 -5.162 -1.735 4.537 1.00 61.04 H new ATOM 0 HB2 LEU A 113 -3.713 -0.236 2.410 1.00 14.21 H new ATOM 0 HB3 LEU A 113 -3.384 -1.955 2.482 1.00 14.21 H new ATOM 0 HG LEU A 113 -5.116 -1.589 0.884 1.00 22.24 H new ATOM 0 HD11 LEU A 113 -6.948 -2.938 1.870 1.00 61.32 H new ATOM 0 HD12 LEU A 113 -5.347 -3.570 2.321 1.00 61.32 H new ATOM 0 HD13 LEU A 113 -6.291 -2.620 3.493 1.00 61.32 H new ATOM 0 HD21 LEU A 113 -7.271 -0.559 1.413 1.00 21.42 H new ATOM 0 HD22 LEU A 113 -6.670 -0.138 3.034 1.00 21.42 H new ATOM 0 HD23 LEU A 113 -5.919 0.584 1.591 1.00 21.42 H new ATOM 1733 N ALA A 114 -2.133 -1.002 5.396 1.00 25.22 N ATOM 1734 CA ALA A 114 -1.046 -1.469 6.250 1.00 73.43 C ATOM 1735 C ALA A 114 -1.573 -1.979 7.601 1.00 3.24 C ATOM 1736 O ALA A 114 -1.117 -3.004 8.088 1.00 43.34 O ATOM 1737 CB ALA A 114 -0.026 -0.359 6.442 1.00 42.44 C ATOM 0 H ALA A 114 -2.091 -0.007 5.174 1.00 25.22 H new ATOM 0 HA ALA A 114 -0.558 -2.311 5.758 1.00 73.43 H new ATOM 0 HB1 ALA A 114 0.783 -0.714 7.081 1.00 42.44 H new ATOM 0 HB2 ALA A 114 0.379 -0.065 5.473 1.00 42.44 H new ATOM 0 HB3 ALA A 114 -0.507 0.500 6.910 1.00 42.44 H new ATOM 1743 N GLN A 115 -2.582 -1.285 8.158 1.00 1.23 N ATOM 1744 CA GLN A 115 -3.214 -1.676 9.438 1.00 14.14 C ATOM 1745 C GLN A 115 -3.970 -2.999 9.301 1.00 10.24 C ATOM 1746 O GLN A 115 -4.010 -3.805 10.232 1.00 41.12 O ATOM 1747 CB GLN A 115 -4.192 -0.599 9.905 1.00 73.13 C ATOM 1748 CG GLN A 115 -3.544 0.741 10.195 1.00 72.15 C ATOM 1749 CD GLN A 115 -4.547 1.860 10.396 1.00 53.10 C ATOM 1750 OE1 GLN A 115 -5.638 1.647 10.909 1.00 60.14 O ATOM 1751 NE2 GLN A 115 -4.192 3.058 9.967 1.00 23.24 N ATOM 0 H GLN A 115 -2.982 -0.444 7.741 1.00 1.23 H new ATOM 0 HA GLN A 115 -2.415 -1.794 10.170 1.00 14.14 H new ATOM 0 HB2 GLN A 115 -4.958 -0.463 9.141 1.00 73.13 H new ATOM 0 HB3 GLN A 115 -4.698 -0.948 10.805 1.00 73.13 H new ATOM 0 HG2 GLN A 115 -2.925 0.652 11.088 1.00 72.15 H new ATOM 0 HG3 GLN A 115 -2.879 1.001 9.371 1.00 72.15 H new ATOM 0 HE21 GLN A 115 -3.274 3.197 9.545 1.00 23.24 H new ATOM 0 HE22 GLN A 115 -4.836 3.844 10.058 1.00 23.24 H new ATOM 1760 N LYS A 116 -4.543 -3.214 8.117 1.00 3.51 N ATOM 1761 CA LYS A 116 -5.298 -4.424 7.799 1.00 1.10 C ATOM 1762 C LYS A 116 -4.373 -5.630 7.585 1.00 55.22 C ATOM 1763 O LYS A 116 -4.796 -6.773 7.729 1.00 52.44 O ATOM 1764 CB LYS A 116 -6.171 -4.178 6.567 1.00 23.41 C ATOM 1765 CG LYS A 116 -7.257 -3.137 6.793 1.00 13.50 C ATOM 1766 CD LYS A 116 -7.956 -2.743 5.498 1.00 30.34 C ATOM 1767 CE LYS A 116 -8.777 -3.883 4.901 1.00 0.55 C ATOM 1768 NZ LYS A 116 -9.986 -4.181 5.706 1.00 14.34 N ATOM 0 H LYS A 116 -4.495 -2.548 7.346 1.00 3.51 H new ATOM 0 HA LYS A 116 -5.939 -4.661 8.648 1.00 1.10 H new ATOM 0 HB2 LYS A 116 -5.537 -3.857 5.740 1.00 23.41 H new ATOM 0 HB3 LYS A 116 -6.635 -5.117 6.267 1.00 23.41 H new ATOM 0 HG2 LYS A 116 -7.992 -3.528 7.496 1.00 13.50 H new ATOM 0 HG3 LYS A 116 -6.818 -2.251 7.251 1.00 13.50 H new ATOM 0 HD2 LYS A 116 -8.609 -1.891 5.687 1.00 30.34 H new ATOM 0 HD3 LYS A 116 -7.211 -2.419 4.772 1.00 30.34 H new ATOM 0 HE2 LYS A 116 -9.074 -3.622 3.885 1.00 0.55 H new ATOM 0 HE3 LYS A 116 -8.158 -4.778 4.832 1.00 0.55 H new ATOM 0 HZ1 LYS A 116 -10.557 -4.902 5.221 1.00 14.34 H new ATOM 0 HZ2 LYS A 116 -9.702 -4.536 6.641 1.00 14.34 H new ATOM 0 HZ3 LYS A 116 -10.548 -3.314 5.822 1.00 14.34 H new ATOM 1782 N ALA A 117 -3.127 -5.367 7.190 1.00 33.32 N ATOM 1783 CA ALA A 117 -2.118 -6.415 7.049 1.00 31.32 C ATOM 1784 C ALA A 117 -1.620 -6.885 8.421 1.00 65.15 C ATOM 1785 O ALA A 117 -1.526 -8.087 8.680 1.00 24.31 O ATOM 1786 CB ALA A 117 -0.957 -5.914 6.201 1.00 24.41 C ATOM 0 H ALA A 117 -2.792 -4.431 6.961 1.00 33.32 H new ATOM 0 HA ALA A 117 -2.576 -7.268 6.548 1.00 31.32 H new ATOM 0 HB1 ALA A 117 -0.211 -6.703 6.103 1.00 24.41 H new ATOM 0 HB2 ALA A 117 -1.322 -5.635 5.213 1.00 24.41 H new ATOM 0 HB3 ALA A 117 -0.505 -5.045 6.680 1.00 24.41 H new ATOM 1792 N LEU A 118 -1.368 -5.924 9.315 1.00 30.41 N ATOM 1793 CA LEU A 118 -0.797 -6.195 10.641 1.00 25.22 C ATOM 1794 C LEU A 118 -1.876 -6.440 11.709 1.00 31.24 C ATOM 1795 O LEU A 118 -1.591 -6.349 12.906 1.00 11.43 O ATOM 1796 CB LEU A 118 0.064 -5.009 11.070 1.00 21.25 C ATOM 1797 CG LEU A 118 1.347 -4.812 10.283 1.00 13.22 C ATOM 1798 CD1 LEU A 118 1.459 -3.391 9.811 1.00 10.43 C ATOM 1799 CD2 LEU A 118 2.533 -5.167 11.139 1.00 45.52 C ATOM 0 H LEU A 118 -1.553 -4.936 9.141 1.00 30.41 H new ATOM 0 HA LEU A 118 -0.200 -7.104 10.559 1.00 25.22 H new ATOM 0 HB2 LEU A 118 -0.534 -4.101 10.990 1.00 21.25 H new ATOM 0 HB3 LEU A 118 0.319 -5.130 12.123 1.00 21.25 H new ATOM 0 HG LEU A 118 1.327 -5.467 9.412 1.00 13.22 H new ATOM 0 HD11 LEU A 118 2.384 -3.266 9.248 1.00 10.43 H new ATOM 0 HD12 LEU A 118 0.610 -3.152 9.170 1.00 10.43 H new ATOM 0 HD13 LEU A 118 1.464 -2.721 10.671 1.00 10.43 H new ATOM 0 HD21 LEU A 118 3.450 -5.023 10.568 1.00 45.52 H new ATOM 0 HD22 LEU A 118 2.550 -4.526 12.020 1.00 45.52 H new ATOM 0 HD23 LEU A 118 2.459 -6.209 11.450 1.00 45.52 H new ATOM 1811 N LYS A 119 -3.097 -6.773 11.274 1.00 43.41 N ATOM 1812 CA LYS A 119 -4.238 -6.969 12.183 1.00 33.55 C ATOM 1813 C LYS A 119 -4.085 -8.212 13.080 1.00 72.34 C ATOM 1814 O LYS A 119 -4.468 -8.184 14.248 1.00 24.22 O ATOM 1815 CB LYS A 119 -5.550 -7.044 11.383 1.00 43.04 C ATOM 1816 CG LYS A 119 -5.650 -8.226 10.416 1.00 65.41 C ATOM 1817 CD LYS A 119 -7.088 -8.531 10.023 1.00 44.21 C ATOM 1818 CE LYS A 119 -7.723 -7.401 9.238 1.00 1.43 C ATOM 1819 NZ LYS A 119 -9.172 -7.631 9.040 1.00 42.34 N ATOM 0 H LYS A 119 -3.324 -6.914 10.290 1.00 43.41 H new ATOM 0 HA LYS A 119 -4.264 -6.105 12.847 1.00 33.55 H new ATOM 0 HB2 LYS A 119 -6.383 -7.096 12.084 1.00 43.04 H new ATOM 0 HB3 LYS A 119 -5.666 -6.120 10.817 1.00 43.04 H new ATOM 0 HG2 LYS A 119 -5.069 -8.009 9.520 1.00 65.41 H new ATOM 0 HG3 LYS A 119 -5.207 -9.108 10.877 1.00 65.41 H new ATOM 0 HD2 LYS A 119 -7.113 -9.443 9.427 1.00 44.21 H new ATOM 0 HD3 LYS A 119 -7.675 -8.721 10.922 1.00 44.21 H new ATOM 0 HE2 LYS A 119 -7.571 -6.459 9.765 1.00 1.43 H new ATOM 0 HE3 LYS A 119 -7.232 -7.307 8.269 1.00 1.43 H new ATOM 0 HZ1 LYS A 119 -9.578 -6.841 8.500 1.00 42.34 H new ATOM 0 HZ2 LYS A 119 -9.314 -8.518 8.516 1.00 42.34 H new ATOM 0 HZ3 LYS A 119 -9.643 -7.696 9.965 1.00 42.34 H new ATOM 1833 N ASP A 120 -3.520 -9.287 12.536 1.00 3.35 N ATOM 1834 CA ASP A 120 -3.314 -10.522 13.295 1.00 32.21 C ATOM 1835 C ASP A 120 -1.855 -10.689 13.678 1.00 2.13 C ATOM 1836 O ASP A 120 -1.543 -11.382 14.650 1.00 61.42 O ATOM 1837 CB ASP A 120 -3.758 -11.739 12.487 1.00 50.05 C ATOM 1838 CG ASP A 120 -5.255 -11.931 12.451 1.00 24.12 C ATOM 1839 OD1 ASP A 120 -5.792 -12.628 13.330 1.00 63.53 O ATOM 1840 OD2 ASP A 120 -5.900 -11.407 11.527 1.00 42.23 O ATOM 0 H ASP A 120 -3.195 -9.330 11.570 1.00 3.35 H new ATOM 0 HA ASP A 120 -3.917 -10.450 14.200 1.00 32.21 H new ATOM 0 HB2 ASP A 120 -3.389 -11.641 11.466 1.00 50.05 H new ATOM 0 HB3 ASP A 120 -3.296 -12.632 12.908 1.00 50.05 H new ATOM 1845 N ALA A 121 -0.983 -10.023 12.894 1.00 71.41 N ATOM 1846 CA ALA A 121 0.487 -10.073 13.020 1.00 62.32 C ATOM 1847 C ALA A 121 1.071 -11.498 12.919 1.00 63.43 C ATOM 1848 O ALA A 121 2.161 -11.775 13.429 1.00 31.43 O ATOM 1849 CB ALA A 121 0.940 -9.367 14.295 1.00 10.43 C ATOM 0 H ALA A 121 -1.292 -9.418 12.133 1.00 71.41 H new ATOM 0 HA ALA A 121 0.889 -9.537 12.160 1.00 62.32 H new ATOM 0 HB1 ALA A 121 2.026 -9.414 14.371 1.00 10.43 H new ATOM 0 HB2 ALA A 121 0.623 -8.324 14.266 1.00 10.43 H new ATOM 0 HB3 ALA A 121 0.494 -9.857 15.160 1.00 10.43 H new ATOM 1855 N GLU A 122 0.367 -12.380 12.213 1.00 52.31 N ATOM 1856 CA GLU A 122 0.841 -13.740 11.965 1.00 14.24 C ATOM 1857 C GLU A 122 0.581 -14.168 10.512 1.00 41.45 C ATOM 1858 O GLU A 122 0.767 -15.332 10.148 1.00 2.24 O ATOM 1859 CB GLU A 122 0.203 -14.716 12.987 1.00 62.31 C ATOM 1860 CG GLU A 122 -1.305 -14.568 13.227 1.00 13.22 C ATOM 1861 CD GLU A 122 -2.179 -15.136 12.126 1.00 12.52 C ATOM 1862 OE1 GLU A 122 -2.488 -14.404 11.170 1.00 70.53 O ATOM 1863 OE2 GLU A 122 -2.567 -16.314 12.217 1.00 23.30 O ATOM 0 H GLU A 122 -0.542 -12.174 11.799 1.00 52.31 H new ATOM 0 HA GLU A 122 1.922 -13.767 12.104 1.00 14.24 H new ATOM 0 HB2 GLU A 122 0.397 -15.735 12.652 1.00 62.31 H new ATOM 0 HB3 GLU A 122 0.714 -14.592 13.942 1.00 62.31 H new ATOM 0 HG2 GLU A 122 -1.560 -15.060 14.165 1.00 13.22 H new ATOM 0 HG3 GLU A 122 -1.538 -13.510 13.348 1.00 13.22 H new ATOM 1870 N LYS A 123 0.191 -13.197 9.683 1.00 61.24 N ATOM 1871 CA LYS A 123 -0.251 -13.460 8.317 1.00 53.12 C ATOM 1872 C LYS A 123 0.931 -13.669 7.369 1.00 14.35 C ATOM 1873 O LYS A 123 1.947 -12.990 7.464 1.00 14.33 O ATOM 1874 CB LYS A 123 -1.127 -12.302 7.825 1.00 34.14 C ATOM 1875 CG LYS A 123 -2.453 -12.213 8.555 1.00 42.24 C ATOM 1876 CD LYS A 123 -3.342 -11.123 7.986 1.00 32.32 C ATOM 1877 CE LYS A 123 -4.769 -11.260 8.481 1.00 34.51 C ATOM 1878 NZ LYS A 123 -5.392 -12.545 8.072 1.00 14.22 N ATOM 0 H LYS A 123 0.174 -12.210 9.941 1.00 61.24 H new ATOM 0 HA LYS A 123 -0.833 -14.382 8.323 1.00 53.12 H new ATOM 0 HB2 LYS A 123 -0.585 -11.365 7.951 1.00 34.14 H new ATOM 0 HB3 LYS A 123 -1.313 -12.422 6.758 1.00 34.14 H new ATOM 0 HG2 LYS A 123 -2.968 -13.172 8.490 1.00 42.24 H new ATOM 0 HG3 LYS A 123 -2.273 -12.019 9.612 1.00 42.24 H new ATOM 0 HD2 LYS A 123 -2.949 -10.146 8.269 1.00 32.32 H new ATOM 0 HD3 LYS A 123 -3.327 -11.170 6.897 1.00 32.32 H new ATOM 0 HE2 LYS A 123 -4.782 -11.183 9.568 1.00 34.51 H new ATOM 0 HE3 LYS A 123 -5.365 -10.432 8.096 1.00 34.51 H new ATOM 0 HZ1 LYS A 123 -6.427 -12.446 8.076 1.00 14.22 H new ATOM 0 HZ2 LYS A 123 -5.072 -12.797 7.115 1.00 14.22 H new ATOM 0 HZ3 LYS A 123 -5.113 -13.293 8.738 1.00 14.22 H new ATOM 1892 N LEU A 124 0.810 -14.657 6.495 1.00 24.51 N ATOM 1893 CA LEU A 124 1.801 -14.884 5.464 1.00 21.41 C ATOM 1894 C LEU A 124 1.111 -15.048 4.118 1.00 1.24 C ATOM 1895 O LEU A 124 0.180 -15.844 3.982 1.00 13.33 O ATOM 1896 CB LEU A 124 2.712 -16.095 5.789 1.00 44.34 C ATOM 1897 CG LEU A 124 2.078 -17.503 5.835 1.00 60.43 C ATOM 1898 CD1 LEU A 124 3.152 -18.553 5.605 1.00 72.22 C ATOM 1899 CD2 LEU A 124 1.389 -17.770 7.172 1.00 74.21 C ATOM 0 H LEU A 124 0.030 -15.315 6.483 1.00 24.51 H new ATOM 0 HA LEU A 124 2.455 -14.013 5.420 1.00 21.41 H new ATOM 0 HB2 LEU A 124 3.512 -16.116 5.049 1.00 44.34 H new ATOM 0 HB3 LEU A 124 3.178 -15.909 6.757 1.00 44.34 H new ATOM 0 HG LEU A 124 1.324 -17.555 5.049 1.00 60.43 H new ATOM 0 HD11 LEU A 124 2.703 -19.546 5.638 1.00 72.22 H new ATOM 0 HD12 LEU A 124 3.612 -18.395 4.630 1.00 72.22 H new ATOM 0 HD13 LEU A 124 3.912 -18.473 6.382 1.00 72.22 H new ATOM 0 HD21 LEU A 124 0.956 -18.770 7.165 1.00 74.21 H new ATOM 0 HD22 LEU A 124 2.119 -17.696 7.978 1.00 74.21 H new ATOM 0 HD23 LEU A 124 0.600 -17.034 7.328 1.00 74.21 H new ATOM 1911 N GLU A 125 1.532 -14.246 3.143 1.00 11.53 N ATOM 1912 CA GLU A 125 0.975 -14.309 1.793 1.00 12.32 C ATOM 1913 C GLU A 125 2.020 -13.945 0.741 1.00 74.43 C ATOM 1914 O GLU A 125 3.181 -13.697 1.075 1.00 2.23 O ATOM 1915 CB GLU A 125 -0.249 -13.403 1.665 1.00 72.42 C ATOM 1916 CG GLU A 125 -1.573 -14.161 1.573 1.00 22.12 C ATOM 1917 CD GLU A 125 -1.602 -15.162 0.432 1.00 72.11 C ATOM 1918 OE1 GLU A 125 -1.569 -14.730 -0.734 1.00 74.43 O ATOM 1919 OE2 GLU A 125 -1.627 -16.378 0.703 1.00 41.42 O ATOM 0 H GLU A 125 2.260 -13.542 3.263 1.00 11.53 H new ATOM 0 HA GLU A 125 0.664 -15.338 1.615 1.00 12.32 H new ATOM 0 HB2 GLU A 125 -0.284 -12.733 2.524 1.00 72.42 H new ATOM 0 HB3 GLU A 125 -0.136 -12.779 0.778 1.00 72.42 H new ATOM 0 HG2 GLU A 125 -1.753 -14.683 2.513 1.00 22.12 H new ATOM 0 HG3 GLU A 125 -2.387 -13.447 1.444 1.00 22.12 H new ATOM 1926 N HIS A 126 1.582 -13.902 -0.524 1.00 12.45 N ATOM 1927 CA HIS A 126 2.476 -13.757 -1.679 1.00 2.20 C ATOM 1928 C HIS A 126 3.100 -12.354 -1.784 1.00 51.35 C ATOM 1929 O HIS A 126 2.458 -11.352 -1.452 1.00 34.14 O ATOM 1930 CB HIS A 126 1.721 -14.121 -2.991 1.00 23.54 C ATOM 1931 CG HIS A 126 0.649 -13.147 -3.435 1.00 22.30 C ATOM 1932 ND1 HIS A 126 -0.616 -13.097 -2.888 1.00 12.42 N ATOM 1933 CD2 HIS A 126 0.684 -12.172 -4.371 1.00 5.12 C ATOM 1934 CE1 HIS A 126 -1.307 -12.137 -3.470 1.00 62.05 C ATOM 1935 NE2 HIS A 126 -0.542 -11.560 -4.372 1.00 21.43 N ATOM 0 H HIS A 126 0.596 -13.967 -0.775 1.00 12.45 H new ATOM 0 HA HIS A 126 3.302 -14.452 -1.530 1.00 2.20 H new ATOM 0 HB2 HIS A 126 2.453 -14.215 -3.793 1.00 23.54 H new ATOM 0 HB3 HIS A 126 1.262 -15.101 -2.862 1.00 23.54 H new ATOM 0 HD1 HIS A 126 -0.963 -13.708 -2.148 1.00 12.42 H new ATOM 0 HD2 HIS A 126 1.524 -11.922 -5.002 1.00 5.12 H new ATOM 0 HE1 HIS A 126 -2.329 -11.869 -3.245 1.00 62.05 H new ATOM 1944 N HIS A 127 4.362 -12.326 -2.231 1.00 13.15 N ATOM 1945 CA HIS A 127 5.085 -11.096 -2.588 1.00 60.40 C ATOM 1946 C HIS A 127 6.410 -11.474 -3.257 1.00 12.51 C ATOM 1947 O HIS A 127 6.880 -12.604 -3.103 1.00 65.33 O ATOM 1948 CB HIS A 127 5.342 -10.165 -1.362 1.00 42.31 C ATOM 1949 CG HIS A 127 6.440 -10.577 -0.401 1.00 34.22 C ATOM 1950 ND1 HIS A 127 7.478 -9.740 -0.070 1.00 3.24 N ATOM 1951 CD2 HIS A 127 6.645 -11.719 0.300 1.00 30.14 C ATOM 1952 CE1 HIS A 127 8.277 -10.342 0.786 1.00 21.53 C ATOM 1953 NE2 HIS A 127 7.797 -11.547 1.034 1.00 54.50 N ATOM 0 H HIS A 127 4.920 -13.171 -2.357 1.00 13.15 H new ATOM 0 HA HIS A 127 4.458 -10.529 -3.277 1.00 60.40 H new ATOM 0 HB2 HIS A 127 5.577 -9.169 -1.737 1.00 42.31 H new ATOM 0 HB3 HIS A 127 4.412 -10.083 -0.799 1.00 42.31 H new ATOM 0 HD1 HIS A 127 7.610 -8.796 -0.432 1.00 3.24 H new ATOM 0 HD2 HIS A 127 6.021 -12.600 0.285 1.00 30.14 H new ATOM 0 HE1 HIS A 127 9.175 -9.921 1.214 1.00 21.53 H new ATOM 1962 N HIS A 128 6.989 -10.549 -4.008 1.00 61.33 N ATOM 1963 CA HIS A 128 8.356 -10.698 -4.496 1.00 33.01 C ATOM 1964 C HIS A 128 9.115 -9.401 -4.274 1.00 15.04 C ATOM 1965 O HIS A 128 8.938 -8.428 -5.012 1.00 53.43 O ATOM 1966 CB HIS A 128 8.407 -11.128 -5.974 1.00 22.34 C ATOM 1967 CG HIS A 128 8.204 -12.602 -6.177 1.00 2.13 C ATOM 1968 ND1 HIS A 128 9.230 -13.518 -6.078 1.00 31.12 N ATOM 1969 CD2 HIS A 128 7.088 -13.324 -6.441 1.00 62.11 C ATOM 1970 CE1 HIS A 128 8.755 -14.732 -6.271 1.00 3.20 C ATOM 1971 NE2 HIS A 128 7.461 -14.645 -6.491 1.00 52.31 N ATOM 0 H HIS A 128 6.533 -9.683 -4.295 1.00 61.33 H new ATOM 0 HA HIS A 128 8.834 -11.498 -3.930 1.00 33.01 H new ATOM 0 HB2 HIS A 128 7.642 -10.584 -6.529 1.00 22.34 H new ATOM 0 HB3 HIS A 128 9.371 -10.841 -6.395 1.00 22.34 H new ATOM 0 HD2 HIS A 128 6.091 -12.934 -6.585 1.00 62.11 H new ATOM 0 HE1 HIS A 128 9.331 -15.645 -6.252 1.00 3.20 H new ATOM 0 HE2 HIS A 128 6.836 -15.431 -6.670 1.00 52.31 H new ATOM 1980 N HIS A 129 9.934 -9.387 -3.223 1.00 43.32 N ATOM 1981 CA HIS A 129 10.641 -8.181 -2.822 1.00 74.25 C ATOM 1982 C HIS A 129 12.047 -8.134 -3.456 1.00 14.45 C ATOM 1983 O HIS A 129 12.175 -7.802 -4.635 1.00 51.20 O ATOM 1984 CB HIS A 129 10.676 -8.075 -1.267 1.00 54.22 C ATOM 1985 CG HIS A 129 11.160 -6.752 -0.734 1.00 74.10 C ATOM 1986 ND1 HIS A 129 10.405 -5.602 -0.787 1.00 40.12 N ATOM 1987 CD2 HIS A 129 12.327 -6.402 -0.149 1.00 70.10 C ATOM 1988 CE1 HIS A 129 11.089 -4.602 -0.281 1.00 65.11 C ATOM 1989 NE2 HIS A 129 12.260 -5.059 0.120 1.00 44.25 N ATOM 0 H HIS A 129 10.121 -10.200 -2.636 1.00 43.32 H new ATOM 0 HA HIS A 129 10.106 -7.307 -3.194 1.00 74.25 H new ATOM 0 HB2 HIS A 129 9.673 -8.261 -0.882 1.00 54.22 H new ATOM 0 HB3 HIS A 129 11.319 -8.865 -0.878 1.00 54.22 H new ATOM 0 HD2 HIS A 129 13.158 -7.058 0.066 1.00 70.10 H new ATOM 0 HE1 HIS A 129 10.751 -3.579 -0.206 1.00 65.11 H new ATOM 0 HE2 HIS A 129 12.995 -4.504 0.558 1.00 44.25 H new ATOM 1998 N HIS A 130 13.069 -8.530 -2.686 1.00 23.42 N ATOM 1999 CA HIS A 130 14.476 -8.356 -3.054 1.00 34.42 C ATOM 2000 C HIS A 130 15.348 -8.955 -1.944 1.00 50.40 C ATOM 2001 O HIS A 130 14.895 -9.097 -0.804 1.00 41.22 O ATOM 2002 CB HIS A 130 14.801 -6.851 -3.238 1.00 13.02 C ATOM 2003 CG HIS A 130 16.066 -6.559 -3.997 1.00 44.52 C ATOM 2004 ND1 HIS A 130 16.180 -6.708 -5.361 1.00 30.20 N ATOM 2005 CD2 HIS A 130 17.269 -6.124 -3.568 1.00 60.10 C ATOM 2006 CE1 HIS A 130 17.399 -6.383 -5.735 1.00 14.43 C ATOM 2007 NE2 HIS A 130 18.082 -6.020 -4.668 1.00 61.34 N ATOM 0 H HIS A 130 12.939 -8.984 -1.782 1.00 23.42 H new ATOM 0 HA HIS A 130 14.677 -8.864 -3.997 1.00 34.42 H new ATOM 0 HB2 HIS A 130 13.968 -6.376 -3.755 1.00 13.02 H new ATOM 0 HB3 HIS A 130 14.871 -6.388 -2.254 1.00 13.02 H new ATOM 0 HD2 HIS A 130 17.541 -5.899 -2.547 1.00 60.10 H new ATOM 0 HE1 HIS A 130 17.776 -6.409 -6.747 1.00 14.43 H new ATOM 0 HE2 HIS A 130 19.055 -5.713 -4.661 1.00 61.34 H new ATOM 2016 N HIS A 131 16.578 -9.327 -2.308 1.00 65.31 N ATOM 2017 CA HIS A 131 17.610 -9.779 -1.367 1.00 52.35 C ATOM 2018 C HIS A 131 17.914 -8.696 -0.313 1.00 11.14 C ATOM 2019 O HIS A 131 18.134 -7.529 -0.653 1.00 53.23 O ATOM 2020 CB HIS A 131 18.877 -10.152 -2.176 1.00 73.25 C ATOM 2021 CG HIS A 131 20.028 -10.697 -1.377 1.00 62.34 C ATOM 2022 ND1 HIS A 131 20.230 -12.040 -1.164 1.00 72.34 N ATOM 2023 CD2 HIS A 131 21.071 -10.067 -0.788 1.00 25.44 C ATOM 2024 CE1 HIS A 131 21.339 -12.212 -0.474 1.00 40.04 C ATOM 2025 NE2 HIS A 131 21.868 -11.031 -0.233 1.00 41.12 N ATOM 0 H HIS A 131 16.891 -9.323 -3.279 1.00 65.31 H new ATOM 0 HA HIS A 131 17.255 -10.654 -0.822 1.00 52.35 H new ATOM 0 HB2 HIS A 131 18.600 -10.890 -2.928 1.00 73.25 H new ATOM 0 HB3 HIS A 131 19.218 -9.265 -2.710 1.00 73.25 H new ATOM 0 HD2 HIS A 131 21.242 -9.001 -0.761 1.00 25.44 H new ATOM 0 HE1 HIS A 131 21.746 -13.162 -0.159 1.00 40.04 H new ATOM 0 HE2 HIS A 131 22.731 -10.862 0.283 1.00 41.12 H new TER 2034 HIS A 131