USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 670 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 85 GLN : amide:sc= 0 K(o=1.1,f=0.33) USER MOD Set 1.2: A 89 SER OG : rot 69:sc= 1.06 USER MOD Set 2.1: A 52 SER OG : rot 170:sc= 0.318 USER MOD Set 2.2: A 75 TYR OH : rot -169:sc= 0.205 USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= -1.45! USER MOD Set 3.2: A 38 GLN : amide:sc= -0.36 K(o=-1.8,f=-4.3!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.868 X(o=-0.87,f=-0.82) USER MOD Single : A 21 TYR OH : rot 174:sc= -2.27! USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 30 GLN : amide:sc= -0.44 K(o=-0.44,f=-4.8!) USER MOD Single : A 33 ASN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.554 K(o=-0.55,f=-4.2!) USER MOD Single : A 40 HIS : no HD1:sc= -2.02 K(o=-2,f=-8.4!) USER MOD Single : A 43 SER OG : rot 159:sc= 1.06 USER MOD Single : A 44 ASN : amide:sc= -0.381 K(o=-0.38,f=-7.1!) USER MOD Single : A 47 GLN : amide:sc= -0.0869 K(o=-0.087,f=-0.61) USER MOD Single : A 56 MET CE :methyl 162:sc= -0.066 (180deg=-0.506) USER MOD Single : A 60 HIS : no HE2:sc= -0.371 K(o=-0.37,f=-2.1) USER MOD Single : A 64 LYS NZ :NH3+ 147:sc= 0.91 (180deg=0.255!) USER MOD Single : A 65 ASN : amide:sc= -0.681 K(o=-0.68,f=-2.1!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.79) USER MOD Single : A 87 MET CE :methyl -166:sc= -1.46 (180deg=-2.21) USER MOD Single : A 91 SER OG : rot 47:sc= 0.625 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -1.291 -2.024 -4.467 1.00 23.43 N ATOM 2 CA ASP A 14 -0.326 -1.090 -5.045 1.00 43.52 C ATOM 3 C ASP A 14 -1.089 0.195 -5.309 1.00 21.01 C ATOM 4 O ASP A 14 -2.146 0.378 -4.714 1.00 14.11 O ATOM 5 CB ASP A 14 0.191 -1.668 -6.351 1.00 73.33 C ATOM 6 CG ASP A 14 -0.902 -1.731 -7.358 1.00 24.23 C ATOM 7 OD1 ASP A 14 -1.798 -2.575 -7.216 1.00 73.33 O ATOM 8 OD2 ASP A 14 -0.920 -0.893 -8.231 1.00 64.41 O1- ATOM 0 HA ASP A 14 0.523 -0.912 -4.386 1.00 43.52 H new ATOM 0 HB2 ASP A 14 1.008 -1.054 -6.730 1.00 73.33 H new ATOM 0 HB3 ASP A 14 0.595 -2.666 -6.180 1.00 73.33 H new ATOM 13 N ASN A 15 -0.594 1.061 -6.190 1.00 34.10 N ATOM 14 CA ASN A 15 -1.238 2.346 -6.449 1.00 43.44 C ATOM 15 C ASN A 15 -1.209 2.722 -7.938 1.00 42.34 C ATOM 16 O ASN A 15 -1.339 3.898 -8.245 1.00 3.50 O ATOM 17 CB ASN A 15 -0.530 3.470 -5.648 1.00 43.13 C ATOM 18 CG ASN A 15 -0.765 3.417 -4.145 1.00 54.23 C ATOM 19 OD1 ASN A 15 -0.066 2.716 -3.420 1.00 53.54 O ATOM 20 ND2 ASN A 15 -1.712 4.195 -3.662 1.00 10.00 N ATOM 0 H ASN A 15 0.251 0.896 -6.737 1.00 34.10 H new ATOM 0 HA ASN A 15 -2.277 2.244 -6.136 1.00 43.44 H new ATOM 0 HB2 ASN A 15 0.542 3.414 -5.838 1.00 43.13 H new ATOM 0 HB3 ASN A 15 -0.870 4.435 -6.023 1.00 43.13 H new ATOM 0 HD21 ASN A 15 -1.882 4.227 -2.657 1.00 10.00 H new ATOM 0 HD22 ASN A 15 -2.275 4.765 -4.293 1.00 10.00 H new ATOM 27 N ARG A 16 -1.106 1.735 -8.873 1.00 11.42 N ATOM 28 CA ARG A 16 -0.952 2.099 -10.309 1.00 50.23 C ATOM 29 C ARG A 16 -2.086 2.995 -10.854 1.00 74.02 C ATOM 30 O ARG A 16 -1.822 4.017 -11.462 1.00 11.21 O ATOM 31 CB ARG A 16 -0.619 0.921 -11.281 1.00 32.10 C ATOM 32 CG ARG A 16 -1.781 0.081 -11.753 1.00 24.31 C ATOM 33 CD ARG A 16 -2.291 -0.854 -10.694 1.00 44.22 C ATOM 34 NE ARG A 16 -3.480 -1.600 -11.129 1.00 62.02 N ATOM 35 CZ ARG A 16 -4.113 -2.563 -10.424 1.00 13.31 C ATOM 36 NH1 ARG A 16 -3.634 -2.984 -9.246 1.00 42.41 N1+ ATOM 37 NH2 ARG A 16 -5.239 -3.095 -10.918 1.00 34.33 N ATOM 0 H ARG A 16 -1.125 0.735 -8.674 1.00 11.42 H new ATOM 0 HA ARG A 16 -0.046 2.705 -10.294 1.00 50.23 H new ATOM 0 HB2 ARG A 16 -0.120 1.334 -12.158 1.00 32.10 H new ATOM 0 HB3 ARG A 16 0.097 0.264 -10.787 1.00 32.10 H new ATOM 0 HG2 ARG A 16 -2.591 0.736 -12.073 1.00 24.31 H new ATOM 0 HG3 ARG A 16 -1.475 -0.497 -12.625 1.00 24.31 H new ATOM 0 HD2 ARG A 16 -1.503 -1.557 -10.424 1.00 44.22 H new ATOM 0 HD3 ARG A 16 -2.531 -0.285 -9.796 1.00 44.22 H new ATOM 0 HE ARG A 16 -3.862 -1.370 -12.046 1.00 62.02 H new ATOM 0 HH11 ARG A 16 -2.779 -2.576 -8.868 1.00 42.41 H new ATOM 0 HH12 ARG A 16 -4.125 -3.712 -8.727 1.00 42.41 H new ATOM 0 HH21 ARG A 16 -5.606 -2.772 -11.813 1.00 34.33 H new ATOM 0 HH22 ARG A 16 -5.730 -3.823 -10.399 1.00 34.33 H new ATOM 51 N HIS A 17 -3.332 2.617 -10.617 1.00 25.24 N ATOM 52 CA HIS A 17 -4.466 3.439 -11.054 1.00 20.13 C ATOM 53 C HIS A 17 -4.662 4.613 -10.108 1.00 42.12 C ATOM 54 O HIS A 17 -4.948 5.724 -10.520 1.00 1.35 O ATOM 55 CB HIS A 17 -5.770 2.617 -11.151 1.00 72.33 C ATOM 56 CG HIS A 17 -5.754 1.534 -12.181 1.00 74.13 C ATOM 57 ND1 HIS A 17 -5.712 1.754 -13.542 1.00 13.41 N ATOM 58 CD2 HIS A 17 -5.746 0.200 -12.021 1.00 61.13 C ATOM 59 CE1 HIS A 17 -5.676 0.564 -14.150 1.00 40.42 C ATOM 60 NE2 HIS A 17 -5.690 -0.420 -13.264 1.00 62.13 N ATOM 0 H HIS A 17 -3.590 1.758 -10.131 1.00 25.24 H new ATOM 0 HA HIS A 17 -4.233 3.812 -12.051 1.00 20.13 H new ATOM 0 HB2 HIS A 17 -5.974 2.170 -10.178 1.00 72.33 H new ATOM 0 HB3 HIS A 17 -6.595 3.295 -11.370 1.00 72.33 H new ATOM 0 HD2 HIS A 17 -5.778 -0.313 -11.071 1.00 61.13 H new ATOM 0 HE1 HIS A 17 -5.640 0.424 -15.220 1.00 40.42 H new ATOM 0 HE2 HIS A 17 -5.665 -1.422 -13.454 1.00 62.13 H new ATOM 68 N ALA A 18 -4.427 4.350 -8.839 1.00 72.23 N ATOM 69 CA ALA A 18 -4.670 5.303 -7.763 1.00 11.24 C ATOM 70 C ALA A 18 -3.848 6.596 -7.864 1.00 75.42 C ATOM 71 O ALA A 18 -4.123 7.557 -7.163 1.00 2.13 O ATOM 72 CB ALA A 18 -4.596 4.645 -6.407 1.00 64.21 C ATOM 0 H ALA A 18 -4.056 3.456 -8.516 1.00 72.23 H new ATOM 0 HA ALA A 18 -5.698 5.642 -7.893 1.00 11.24 H new ATOM 0 HB1 ALA A 18 -4.783 5.388 -5.631 1.00 64.21 H new ATOM 0 HB2 ALA A 18 -5.347 3.857 -6.343 1.00 64.21 H new ATOM 0 HB3 ALA A 18 -3.605 4.214 -6.265 1.00 64.21 H new ATOM 78 N ALA A 19 -2.804 6.590 -8.681 1.00 41.14 N ATOM 79 CA ALA A 19 -2.029 7.807 -8.957 1.00 50.13 C ATOM 80 C ALA A 19 -2.940 8.930 -9.513 1.00 25.53 C ATOM 81 O ALA A 19 -2.686 10.116 -9.294 1.00 42.24 O ATOM 82 CB ALA A 19 -0.898 7.503 -9.928 1.00 53.24 C ATOM 0 H ALA A 19 -2.468 5.759 -9.168 1.00 41.14 H new ATOM 0 HA ALA A 19 -1.598 8.158 -8.020 1.00 50.13 H new ATOM 0 HB1 ALA A 19 -0.332 8.414 -10.124 1.00 53.24 H new ATOM 0 HB2 ALA A 19 -0.238 6.752 -9.494 1.00 53.24 H new ATOM 0 HB3 ALA A 19 -1.313 7.126 -10.863 1.00 53.24 H new ATOM 88 N ASP A 20 -4.011 8.541 -10.209 1.00 31.43 N ATOM 89 CA ASP A 20 -5.012 9.499 -10.710 1.00 50.01 C ATOM 90 C ASP A 20 -5.800 10.040 -9.533 1.00 21.33 C ATOM 91 O ASP A 20 -6.058 11.229 -9.436 1.00 14.21 O ATOM 92 CB ASP A 20 -5.942 8.810 -11.730 1.00 12.43 C ATOM 93 CG ASP A 20 -7.107 9.661 -12.267 1.00 32.05 C ATOM 94 OD1 ASP A 20 -8.277 9.298 -12.038 1.00 73.41 O ATOM 95 OD2 ASP A 20 -6.883 10.664 -12.965 1.00 13.50 O1- ATOM 0 H ASP A 20 -4.212 7.568 -10.441 1.00 31.43 H new ATOM 0 HA ASP A 20 -4.517 10.326 -11.219 1.00 50.01 H new ATOM 0 HB2 ASP A 20 -5.339 8.481 -12.576 1.00 12.43 H new ATOM 0 HB3 ASP A 20 -6.356 7.915 -11.266 1.00 12.43 H new ATOM 100 N TYR A 21 -6.053 9.162 -8.566 1.00 65.45 N ATOM 101 CA TYR A 21 -6.829 9.480 -7.367 1.00 30.44 C ATOM 102 C TYR A 21 -6.139 10.562 -6.525 1.00 43.40 C ATOM 103 O TYR A 21 -6.791 11.265 -5.741 1.00 41.13 O ATOM 104 CB TYR A 21 -7.061 8.219 -6.512 1.00 22.12 C ATOM 105 CG TYR A 21 -8.059 8.418 -5.407 1.00 2.43 C ATOM 106 CD1 TYR A 21 -7.668 8.783 -4.123 1.00 41.02 C ATOM 107 CD2 TYR A 21 -9.405 8.277 -5.662 1.00 34.20 C ATOM 108 CE1 TYR A 21 -8.598 9.001 -3.146 1.00 11.40 C ATOM 109 CE2 TYR A 21 -10.336 8.483 -4.686 1.00 2.11 C ATOM 110 CZ TYR A 21 -9.935 8.847 -3.432 1.00 11.40 C ATOM 111 OH TYR A 21 -10.878 9.099 -2.467 1.00 42.21 O ATOM 0 H TYR A 21 -5.722 8.198 -8.592 1.00 65.45 H new ATOM 0 HA TYR A 21 -7.794 9.865 -7.697 1.00 30.44 H new ATOM 0 HB2 TYR A 21 -7.403 7.410 -7.158 1.00 22.12 H new ATOM 0 HB3 TYR A 21 -6.111 7.903 -6.080 1.00 22.12 H new ATOM 0 HD1 TYR A 21 -6.618 8.895 -3.896 1.00 41.02 H new ATOM 0 HD2 TYR A 21 -9.730 7.998 -6.653 1.00 34.20 H new ATOM 0 HE1 TYR A 21 -8.285 9.293 -2.154 1.00 11.40 H new ATOM 0 HE2 TYR A 21 -11.386 8.359 -4.904 1.00 2.11 H new ATOM 0 HH TYR A 21 -11.773 9.041 -2.861 1.00 42.21 H new ATOM 121 N GLN A 22 -4.832 10.705 -6.693 1.00 73.21 N ATOM 122 CA GLN A 22 -4.072 11.723 -5.978 1.00 52.23 C ATOM 123 C GLN A 22 -4.627 13.118 -6.310 1.00 73.32 C ATOM 124 O GLN A 22 -4.683 14.005 -5.450 1.00 71.30 O ATOM 125 CB GLN A 22 -2.588 11.639 -6.333 1.00 24.01 C ATOM 126 CG GLN A 22 -1.714 12.612 -5.555 1.00 24.15 C ATOM 127 CD GLN A 22 -0.256 12.557 -5.965 1.00 73.30 C ATOM 128 OE1 GLN A 22 0.246 11.530 -6.381 1.00 0.52 O ATOM 129 NE2 GLN A 22 0.431 13.667 -5.848 1.00 30.34 N ATOM 0 H GLN A 22 -4.273 10.127 -7.321 1.00 73.21 H new ATOM 0 HA GLN A 22 -4.173 11.547 -4.907 1.00 52.23 H new ATOM 0 HB2 GLN A 22 -2.237 10.623 -6.150 1.00 24.01 H new ATOM 0 HB3 GLN A 22 -2.468 11.830 -7.399 1.00 24.01 H new ATOM 0 HG2 GLN A 22 -2.089 13.625 -5.701 1.00 24.15 H new ATOM 0 HG3 GLN A 22 -1.795 12.393 -4.490 1.00 24.15 H new ATOM 0 HE21 GLN A 22 -0.020 14.511 -5.496 1.00 30.34 H new ATOM 0 HE22 GLN A 22 1.417 13.687 -6.109 1.00 30.34 H new ATOM 138 N GLN A 23 -5.090 13.274 -7.541 1.00 43.50 N ATOM 139 CA GLN A 23 -5.696 14.523 -7.995 1.00 41.12 C ATOM 140 C GLN A 23 -7.040 14.698 -7.291 1.00 33.23 C ATOM 141 O GLN A 23 -7.407 15.791 -6.883 1.00 0.23 O ATOM 142 CB GLN A 23 -5.943 14.477 -9.495 1.00 54.30 C ATOM 143 CG GLN A 23 -4.737 14.142 -10.350 1.00 41.43 C ATOM 144 CD GLN A 23 -5.122 13.969 -11.808 1.00 42.44 C ATOM 145 OE1 GLN A 23 -6.052 14.605 -12.300 1.00 4.12 O ATOM 146 NE2 GLN A 23 -4.443 13.090 -12.494 1.00 34.13 N ATOM 0 H GLN A 23 -5.058 12.544 -8.253 1.00 43.50 H new ATOM 0 HA GLN A 23 -5.023 15.349 -7.765 1.00 41.12 H new ATOM 0 HB2 GLN A 23 -6.722 13.741 -9.694 1.00 54.30 H new ATOM 0 HB3 GLN A 23 -6.331 15.445 -9.811 1.00 54.30 H new ATOM 0 HG2 GLN A 23 -3.994 14.934 -10.260 1.00 41.43 H new ATOM 0 HG3 GLN A 23 -4.273 13.226 -9.984 1.00 41.43 H new ATOM 0 HE21 GLN A 23 -3.677 12.580 -12.053 1.00 34.13 H new ATOM 0 HE22 GLN A 23 -4.678 12.913 -13.471 1.00 34.13 H new ATOM 155 N LEU A 24 -7.757 13.590 -7.122 1.00 10.54 N ATOM 156 CA LEU A 24 -9.051 13.607 -6.462 1.00 34.25 C ATOM 157 C LEU A 24 -8.886 13.951 -4.966 1.00 42.23 C ATOM 158 O LEU A 24 -9.787 14.517 -4.367 1.00 44.44 O ATOM 159 CB LEU A 24 -9.890 12.294 -6.794 1.00 61.10 C ATOM 160 CG LEU A 24 -11.298 12.086 -6.192 1.00 35.52 C ATOM 161 CD1 LEU A 24 -11.977 10.927 -6.898 1.00 64.01 C ATOM 162 CD2 LEU A 24 -11.245 11.766 -4.729 1.00 74.11 C ATOM 0 H LEU A 24 -7.458 12.667 -7.436 1.00 10.54 H new ATOM 0 HA LEU A 24 -9.668 14.411 -6.863 1.00 34.25 H new ATOM 0 HB2 LEU A 24 -9.994 12.245 -7.878 1.00 61.10 H new ATOM 0 HB3 LEU A 24 -9.283 11.440 -6.493 1.00 61.10 H new ATOM 0 HG LEU A 24 -11.849 13.017 -6.326 1.00 35.52 H new ATOM 0 HD11 LEU A 24 -12.971 10.776 -6.477 1.00 64.01 H new ATOM 0 HD12 LEU A 24 -12.064 11.149 -7.962 1.00 64.01 H new ATOM 0 HD13 LEU A 24 -11.385 10.022 -6.764 1.00 64.01 H new ATOM 0 HD21 LEU A 24 -12.258 11.628 -4.350 1.00 74.11 H new ATOM 0 HD22 LEU A 24 -10.673 10.851 -4.577 1.00 74.11 H new ATOM 0 HD23 LEU A 24 -10.766 12.586 -4.194 1.00 74.11 H new ATOM 174 N ARG A 25 -7.704 13.644 -4.381 1.00 61.14 N ATOM 175 CA ARG A 25 -7.401 14.099 -3.009 1.00 45.15 C ATOM 176 C ARG A 25 -7.455 15.588 -2.953 1.00 3.33 C ATOM 177 O ARG A 25 -8.215 16.133 -2.179 1.00 53.31 O ATOM 178 CB ARG A 25 -6.020 13.674 -2.500 1.00 65.22 C ATOM 179 CG ARG A 25 -5.909 12.266 -2.043 1.00 73.23 C ATOM 180 CD ARG A 25 -6.737 12.012 -0.824 1.00 65.30 C ATOM 181 NE ARG A 25 -6.192 12.576 0.430 1.00 24.32 N ATOM 182 CZ ARG A 25 -5.606 11.805 1.378 1.00 24.23 C ATOM 183 NH1 ARG A 25 -5.168 10.598 1.059 1.00 5.31 N1+ ATOM 184 NH2 ARG A 25 -5.417 12.251 2.615 1.00 73.53 N ATOM 0 H ARG A 25 -6.965 13.099 -4.825 1.00 61.14 H new ATOM 0 HA ARG A 25 -8.152 13.629 -2.373 1.00 45.15 H new ATOM 0 HB2 ARG A 25 -5.293 13.837 -3.296 1.00 65.22 H new ATOM 0 HB3 ARG A 25 -5.740 14.328 -1.674 1.00 65.22 H new ATOM 0 HG2 ARG A 25 -6.226 11.598 -2.844 1.00 73.23 H new ATOM 0 HG3 ARG A 25 -4.866 12.034 -1.829 1.00 73.23 H new ATOM 0 HD2 ARG A 25 -7.733 12.424 -0.987 1.00 65.30 H new ATOM 0 HD3 ARG A 25 -6.854 10.935 -0.700 1.00 65.30 H new ATOM 0 HE ARG A 25 -6.260 13.582 0.587 1.00 24.32 H new ATOM 0 HH11 ARG A 25 -5.272 10.253 0.105 1.00 5.31 H new ATOM 0 HH12 ARG A 25 -4.726 10.012 1.767 1.00 5.31 H new ATOM 0 HH21 ARG A 25 -5.715 13.193 2.869 1.00 73.53 H new ATOM 0 HH22 ARG A 25 -4.974 11.652 3.311 1.00 73.53 H new ATOM 198 N GLU A 26 -6.648 16.230 -3.810 1.00 4.21 N ATOM 199 CA GLU A 26 -6.555 17.679 -3.912 1.00 22.55 C ATOM 200 C GLU A 26 -7.954 18.245 -4.050 1.00 13.45 C ATOM 201 O GLU A 26 -8.356 19.134 -3.295 1.00 24.02 O ATOM 202 CB GLU A 26 -5.668 18.017 -5.140 1.00 1.12 C ATOM 203 CG GLU A 26 -5.297 19.493 -5.359 1.00 11.50 C ATOM 204 CD GLU A 26 -6.453 20.385 -5.803 1.00 11.45 C ATOM 205 OE1 GLU A 26 -7.076 20.086 -6.845 1.00 4.20 O ATOM 206 OE2 GLU A 26 -6.736 21.401 -5.138 1.00 35.13 O1- ATOM 0 H GLU A 26 -6.033 15.740 -4.460 1.00 4.21 H new ATOM 0 HA GLU A 26 -6.101 18.121 -3.025 1.00 22.55 H new ATOM 0 HB2 GLU A 26 -4.743 17.446 -5.055 1.00 1.12 H new ATOM 0 HB3 GLU A 26 -6.181 17.662 -6.034 1.00 1.12 H new ATOM 0 HG2 GLU A 26 -4.885 19.891 -4.432 1.00 11.50 H new ATOM 0 HG3 GLU A 26 -4.507 19.547 -6.108 1.00 11.50 H new ATOM 213 N ARG A 27 -8.715 17.647 -4.948 1.00 32.12 N ATOM 214 CA ARG A 27 -10.058 18.071 -5.184 1.00 51.45 C ATOM 215 C ARG A 27 -10.940 17.939 -3.946 1.00 30.32 C ATOM 216 O ARG A 27 -11.623 18.856 -3.616 1.00 43.42 O ATOM 217 CB ARG A 27 -10.707 17.347 -6.337 1.00 54.42 C ATOM 218 CG ARG A 27 -10.028 17.468 -7.698 1.00 65.11 C ATOM 219 CD ARG A 27 -9.676 18.901 -8.030 1.00 42.12 C ATOM 220 NE ARG A 27 -10.754 19.846 -7.704 1.00 72.51 N ATOM 221 CZ ARG A 27 -10.542 21.069 -7.213 1.00 54.31 C ATOM 222 NH1 ARG A 27 -9.319 21.448 -6.862 1.00 14.51 N1+ ATOM 223 NH2 ARG A 27 -11.566 21.881 -7.006 1.00 24.42 N ATOM 0 H ARG A 27 -8.411 16.861 -5.523 1.00 32.12 H new ATOM 0 HA ARG A 27 -9.975 19.126 -5.443 1.00 51.45 H new ATOM 0 HB2 ARG A 27 -10.769 16.289 -6.082 1.00 54.42 H new ATOM 0 HB3 ARG A 27 -11.730 17.712 -6.434 1.00 54.42 H new ATOM 0 HG2 ARG A 27 -9.123 16.861 -7.707 1.00 65.11 H new ATOM 0 HG3 ARG A 27 -10.687 17.069 -8.469 1.00 65.11 H new ATOM 0 HD2 ARG A 27 -8.775 19.184 -7.486 1.00 42.12 H new ATOM 0 HD3 ARG A 27 -9.443 18.976 -9.092 1.00 42.12 H new ATOM 0 HE ARG A 27 -11.717 19.551 -7.862 1.00 72.51 H new ATOM 0 HH11 ARG A 27 -8.535 20.803 -6.967 1.00 14.51 H new ATOM 0 HH12 ARG A 27 -9.163 22.384 -6.487 1.00 14.51 H new ATOM 0 HH21 ARG A 27 -12.514 21.572 -7.221 1.00 24.42 H new ATOM 0 HH22 ARG A 27 -11.408 22.816 -6.631 1.00 24.42 H new ATOM 237 N LEU A 28 -10.920 16.791 -3.272 1.00 42.43 N ATOM 238 CA LEU A 28 -11.722 16.597 -2.042 1.00 41.43 C ATOM 239 C LEU A 28 -11.358 17.614 -0.989 1.00 33.25 C ATOM 240 O LEU A 28 -12.235 18.250 -0.386 1.00 74.02 O ATOM 241 CB LEU A 28 -11.505 15.214 -1.433 1.00 32.22 C ATOM 242 CG LEU A 28 -12.084 14.021 -2.156 1.00 23.51 C ATOM 243 CD1 LEU A 28 -11.670 12.755 -1.442 1.00 3.21 C ATOM 244 CD2 LEU A 28 -13.587 14.109 -2.189 1.00 25.42 C ATOM 0 H LEU A 28 -10.365 15.980 -3.545 1.00 42.43 H new ATOM 0 HA LEU A 28 -12.764 16.710 -2.342 1.00 41.43 H new ATOM 0 HB2 LEU A 28 -10.431 15.057 -1.337 1.00 32.22 H new ATOM 0 HB3 LEU A 28 -11.917 15.225 -0.424 1.00 32.22 H new ATOM 0 HG LEU A 28 -11.709 14.009 -3.179 1.00 23.51 H new ATOM 0 HD11 LEU A 28 -12.086 11.892 -1.961 1.00 3.21 H new ATOM 0 HD12 LEU A 28 -10.582 12.682 -1.431 1.00 3.21 H new ATOM 0 HD13 LEU A 28 -12.042 12.777 -0.418 1.00 3.21 H new ATOM 0 HD21 LEU A 28 -13.991 13.243 -2.713 1.00 25.42 H new ATOM 0 HD22 LEU A 28 -13.973 14.129 -1.170 1.00 25.42 H new ATOM 0 HD23 LEU A 28 -13.887 15.019 -2.708 1.00 25.42 H new ATOM 256 N ILE A 29 -10.066 17.766 -0.802 1.00 74.11 N ATOM 257 CA ILE A 29 -9.498 18.642 0.197 1.00 12.44 C ATOM 258 C ILE A 29 -9.932 20.100 -0.061 1.00 74.12 C ATOM 259 O ILE A 29 -10.239 20.840 0.873 1.00 12.45 O ATOM 260 CB ILE A 29 -7.927 18.445 0.241 1.00 50.14 C ATOM 261 CG1 ILE A 29 -7.642 16.973 0.609 1.00 4.34 C ATOM 262 CG2 ILE A 29 -7.274 19.359 1.260 1.00 4.01 C ATOM 263 CD1 ILE A 29 -6.197 16.498 0.521 1.00 64.43 C ATOM 0 H ILE A 29 -9.365 17.272 -1.354 1.00 74.11 H new ATOM 0 HA ILE A 29 -9.876 18.387 1.187 1.00 12.44 H new ATOM 0 HB ILE A 29 -7.511 18.695 -0.735 1.00 50.14 H new ATOM 0 HG12 ILE A 29 -7.990 16.807 1.628 1.00 4.34 H new ATOM 0 HG13 ILE A 29 -8.245 16.340 -0.041 1.00 4.34 H new ATOM 0 HG21 ILE A 29 -6.197 19.193 1.260 1.00 4.01 H new ATOM 0 HG22 ILE A 29 -7.482 20.398 1.003 1.00 4.01 H new ATOM 0 HG23 ILE A 29 -7.674 19.144 2.251 1.00 4.01 H new ATOM 0 HD11 ILE A 29 -6.141 15.447 0.806 1.00 64.43 H new ATOM 0 HD12 ILE A 29 -5.837 16.616 -0.501 1.00 64.43 H new ATOM 0 HD13 ILE A 29 -5.578 17.090 1.195 1.00 64.43 H new ATOM 275 N GLN A 30 -10.033 20.466 -1.329 1.00 14.25 N ATOM 276 CA GLN A 30 -10.476 21.796 -1.706 1.00 51.41 C ATOM 277 C GLN A 30 -12.028 21.880 -1.739 1.00 72.44 C ATOM 278 O GLN A 30 -12.629 22.721 -1.084 1.00 53.23 O ATOM 279 CB GLN A 30 -9.923 22.157 -3.086 1.00 12.52 C ATOM 280 CG GLN A 30 -9.969 23.643 -3.398 1.00 54.01 C ATOM 281 CD GLN A 30 -9.605 23.957 -4.834 1.00 32.30 C ATOM 282 OE1 GLN A 30 -10.476 24.066 -5.699 1.00 31.14 O ATOM 283 NE2 GLN A 30 -8.336 23.985 -5.131 1.00 12.53 N ATOM 0 H GLN A 30 -9.813 19.856 -2.117 1.00 14.25 H new ATOM 0 HA GLN A 30 -10.104 22.499 -0.961 1.00 51.41 H new ATOM 0 HB2 GLN A 30 -8.891 21.813 -3.154 1.00 12.52 H new ATOM 0 HB3 GLN A 30 -10.489 21.618 -3.846 1.00 12.52 H new ATOM 0 HG2 GLN A 30 -10.970 24.021 -3.192 1.00 54.01 H new ATOM 0 HG3 GLN A 30 -9.286 24.170 -2.732 1.00 54.01 H new ATOM 0 HE21 GLN A 30 -7.637 23.892 -4.394 1.00 12.53 H new ATOM 0 HE22 GLN A 30 -8.042 24.100 -6.101 1.00 12.53 H new ATOM 292 N GLU A 31 -12.649 20.970 -2.487 1.00 41.02 N ATOM 293 CA GLU A 31 -14.091 20.969 -2.753 1.00 65.13 C ATOM 294 C GLU A 31 -14.995 20.782 -1.540 1.00 52.20 C ATOM 295 O GLU A 31 -16.104 21.329 -1.529 1.00 24.42 O ATOM 296 CB GLU A 31 -14.469 20.034 -3.913 1.00 63.31 C ATOM 297 CG GLU A 31 -14.026 20.573 -5.277 1.00 44.21 C ATOM 298 CD GLU A 31 -14.356 19.670 -6.459 1.00 21.43 C ATOM 299 OE1 GLU A 31 -13.432 19.339 -7.251 1.00 11.51 O ATOM 300 OE2 GLU A 31 -15.536 19.297 -6.637 1.00 15.20 O1- ATOM 0 H GLU A 31 -12.157 20.197 -2.935 1.00 41.02 H new ATOM 0 HA GLU A 31 -14.294 21.994 -3.065 1.00 65.13 H new ATOM 0 HB2 GLU A 31 -14.015 19.057 -3.749 1.00 63.31 H new ATOM 0 HB3 GLU A 31 -15.549 19.887 -3.919 1.00 63.31 H new ATOM 0 HG2 GLU A 31 -14.494 21.544 -5.438 1.00 44.21 H new ATOM 0 HG3 GLU A 31 -12.949 20.739 -5.254 1.00 44.21 H new ATOM 307 N LEU A 32 -14.606 19.982 -0.548 1.00 24.12 N ATOM 308 CA LEU A 32 -15.415 19.931 0.662 1.00 35.43 C ATOM 309 C LEU A 32 -14.854 20.848 1.730 1.00 21.10 C ATOM 310 O LEU A 32 -15.489 21.051 2.759 1.00 64.21 O ATOM 311 CB LEU A 32 -15.514 18.530 1.252 1.00 65.25 C ATOM 312 CG LEU A 32 -16.200 17.452 0.450 1.00 3.33 C ATOM 313 CD1 LEU A 32 -15.312 16.922 -0.669 1.00 64.10 C ATOM 314 CD2 LEU A 32 -16.653 16.348 1.374 1.00 21.41 C ATOM 0 H LEU A 32 -13.777 19.388 -0.555 1.00 24.12 H new ATOM 0 HA LEU A 32 -16.411 20.254 0.360 1.00 35.43 H new ATOM 0 HB2 LEU A 32 -14.501 18.189 1.465 1.00 65.25 H new ATOM 0 HB3 LEU A 32 -16.031 18.610 2.208 1.00 65.25 H new ATOM 0 HG LEU A 32 -17.075 17.885 -0.036 1.00 3.33 H new ATOM 0 HD11 LEU A 32 -15.845 16.148 -1.221 1.00 64.10 H new ATOM 0 HD12 LEU A 32 -15.053 17.737 -1.345 1.00 64.10 H new ATOM 0 HD13 LEU A 32 -14.401 16.502 -0.243 1.00 64.10 H new ATOM 0 HD21 LEU A 32 -17.149 15.569 0.795 1.00 21.41 H new ATOM 0 HD22 LEU A 32 -15.789 15.925 1.886 1.00 21.41 H new ATOM 0 HD23 LEU A 32 -17.349 16.752 2.109 1.00 21.41 H new ATOM 326 N ASN A 33 -13.683 21.416 1.452 1.00 63.13 N ATOM 327 CA ASN A 33 -12.922 22.211 2.424 1.00 43.24 C ATOM 328 C ASN A 33 -12.560 21.323 3.613 1.00 70.14 C ATOM 329 O ASN A 33 -13.187 21.356 4.689 1.00 51.33 O ATOM 330 CB ASN A 33 -13.658 23.506 2.866 1.00 62.35 C ATOM 331 CG ASN A 33 -12.843 24.386 3.820 1.00 44.33 C ATOM 332 OD1 ASN A 33 -12.107 25.268 3.400 1.00 32.11 O ATOM 333 ND2 ASN A 33 -12.969 24.148 5.103 1.00 74.41 N ATOM 0 H ASN A 33 -13.229 21.340 0.542 1.00 63.13 H new ATOM 0 HA ASN A 33 -12.010 22.560 1.940 1.00 43.24 H new ATOM 0 HB2 ASN A 33 -13.914 24.087 1.980 1.00 62.35 H new ATOM 0 HB3 ASN A 33 -14.595 23.233 3.350 1.00 62.35 H new ATOM 0 HD21 ASN A 33 -12.446 24.705 5.779 1.00 74.41 H new ATOM 0 HD22 ASN A 33 -13.590 23.406 5.425 1.00 74.41 H new ATOM 340 N LEU A 34 -11.612 20.462 3.378 1.00 51.11 N ATOM 341 CA LEU A 34 -11.187 19.504 4.358 1.00 22.21 C ATOM 342 C LEU A 34 -9.724 19.749 4.620 1.00 62.41 C ATOM 343 O LEU A 34 -8.959 19.878 3.693 1.00 12.24 O ATOM 344 CB LEU A 34 -11.378 18.058 3.808 1.00 3.41 C ATOM 345 CG LEU A 34 -12.780 17.699 3.262 1.00 40.50 C ATOM 346 CD1 LEU A 34 -12.809 16.309 2.602 1.00 73.31 C ATOM 347 CD2 LEU A 34 -13.829 17.774 4.348 1.00 42.31 C ATOM 0 H LEU A 34 -11.108 20.405 2.493 1.00 51.11 H new ATOM 0 HA LEU A 34 -11.773 19.607 5.272 1.00 22.21 H new ATOM 0 HB2 LEU A 34 -10.652 17.899 3.011 1.00 3.41 H new ATOM 0 HB3 LEU A 34 -11.134 17.356 4.606 1.00 3.41 H new ATOM 0 HG LEU A 34 -13.011 18.440 2.496 1.00 40.50 H new ATOM 0 HD11 LEU A 34 -13.814 16.102 2.234 1.00 73.31 H new ATOM 0 HD12 LEU A 34 -12.106 16.287 1.769 1.00 73.31 H new ATOM 0 HD13 LEU A 34 -12.528 15.552 3.335 1.00 73.31 H new ATOM 0 HD21 LEU A 34 -14.803 17.516 3.932 1.00 42.31 H new ATOM 0 HD22 LEU A 34 -13.578 17.074 5.145 1.00 42.31 H new ATOM 0 HD23 LEU A 34 -13.863 18.786 4.751 1.00 42.31 H new ATOM 359 N THR A 35 -9.334 19.847 5.854 1.00 31.24 N ATOM 360 CA THR A 35 -7.931 20.010 6.160 1.00 51.52 C ATOM 361 C THR A 35 -7.241 18.633 6.066 1.00 3.13 C ATOM 362 O THR A 35 -7.927 17.621 6.051 1.00 74.13 O ATOM 363 CB THR A 35 -7.748 20.640 7.566 1.00 33.24 C ATOM 364 OG1 THR A 35 -8.500 19.902 8.534 1.00 12.43 O ATOM 365 CG2 THR A 35 -8.205 22.093 7.572 1.00 42.40 C ATOM 0 H THR A 35 -9.954 19.818 6.664 1.00 31.24 H new ATOM 0 HA THR A 35 -7.471 20.689 5.442 1.00 51.52 H new ATOM 0 HB THR A 35 -6.688 20.604 7.819 1.00 33.24 H new ATOM 0 HG1 THR A 35 -8.378 20.305 9.419 1.00 12.43 H new ATOM 0 HG21 THR A 35 -8.067 22.514 8.568 1.00 42.40 H new ATOM 0 HG22 THR A 35 -7.616 22.663 6.853 1.00 42.40 H new ATOM 0 HG23 THR A 35 -9.259 22.144 7.299 1.00 42.40 H new ATOM 373 N PRO A 36 -5.898 18.548 5.978 1.00 55.14 N ATOM 374 CA PRO A 36 -5.197 17.241 5.909 1.00 54.31 C ATOM 375 C PRO A 36 -5.404 16.402 7.182 1.00 71.45 C ATOM 376 O PRO A 36 -5.221 15.198 7.178 1.00 52.33 O ATOM 377 CB PRO A 36 -3.720 17.630 5.756 1.00 51.32 C ATOM 378 CG PRO A 36 -3.739 19.043 5.276 1.00 13.53 C ATOM 379 CD PRO A 36 -4.954 19.674 5.890 1.00 32.54 C ATOM 0 HA PRO A 36 -5.571 16.622 5.094 1.00 54.31 H new ATOM 0 HB2 PRO A 36 -3.189 17.543 6.704 1.00 51.32 H new ATOM 0 HB3 PRO A 36 -3.212 16.979 5.045 1.00 51.32 H new ATOM 0 HG2 PRO A 36 -2.833 19.569 5.576 1.00 13.53 H new ATOM 0 HG3 PRO A 36 -3.786 19.084 4.188 1.00 13.53 H new ATOM 0 HD2 PRO A 36 -4.738 20.098 6.871 1.00 32.54 H new ATOM 0 HD3 PRO A 36 -5.345 20.483 5.273 1.00 32.54 H new ATOM 387 N GLN A 37 -5.775 17.064 8.260 1.00 73.54 N ATOM 388 CA GLN A 37 -6.063 16.399 9.518 1.00 65.51 C ATOM 389 C GLN A 37 -7.507 15.905 9.514 1.00 52.32 C ATOM 390 O GLN A 37 -7.858 14.962 10.202 1.00 71.42 O ATOM 391 CB GLN A 37 -5.847 17.352 10.719 1.00 23.33 C ATOM 392 CG GLN A 37 -4.402 17.830 10.960 1.00 1.33 C ATOM 393 CD GLN A 37 -3.838 18.732 9.863 1.00 21.30 C ATOM 394 OE1 GLN A 37 -4.565 19.468 9.196 1.00 0.30 O ATOM 395 NE2 GLN A 37 -2.544 18.680 9.673 1.00 30.31 N ATOM 0 H GLN A 37 -5.886 18.078 8.290 1.00 73.54 H new ATOM 0 HA GLN A 37 -5.380 15.556 9.623 1.00 65.51 H new ATOM 0 HB2 GLN A 37 -6.478 18.229 10.578 1.00 23.33 H new ATOM 0 HB3 GLN A 37 -6.196 16.850 11.621 1.00 23.33 H new ATOM 0 HG2 GLN A 37 -4.364 18.366 11.908 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -3.757 16.957 11.062 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -1.969 18.059 10.243 1.00 30.31 H new ATOM 0 HE22 GLN A 37 -2.110 19.260 8.955 1.00 30.31 H new ATOM 404 N GLN A 38 -8.323 16.563 8.721 1.00 30.20 N ATOM 405 CA GLN A 38 -9.719 16.261 8.595 1.00 44.34 C ATOM 406 C GLN A 38 -9.882 15.156 7.562 1.00 2.45 C ATOM 407 O GLN A 38 -10.647 14.206 7.753 1.00 61.53 O ATOM 408 CB GLN A 38 -10.408 17.525 8.129 1.00 73.52 C ATOM 409 CG GLN A 38 -11.899 17.564 8.237 1.00 75.02 C ATOM 410 CD GLN A 38 -12.420 18.915 7.790 1.00 41.55 C ATOM 411 OE1 GLN A 38 -11.717 19.924 7.897 1.00 32.04 O ATOM 412 NE2 GLN A 38 -13.630 18.963 7.314 1.00 61.41 N ATOM 0 H GLN A 38 -8.020 17.341 8.134 1.00 30.20 H new ATOM 0 HA GLN A 38 -10.150 15.926 9.538 1.00 44.34 H new ATOM 0 HB2 GLN A 38 -10.005 18.361 8.700 1.00 73.52 H new ATOM 0 HB3 GLN A 38 -10.139 17.693 7.086 1.00 73.52 H new ATOM 0 HG2 GLN A 38 -12.336 16.776 7.624 1.00 75.02 H new ATOM 0 HG3 GLN A 38 -12.202 17.372 9.266 1.00 75.02 H new ATOM 0 HE21 GLN A 38 -14.183 18.109 7.240 1.00 61.41 H new ATOM 0 HE22 GLN A 38 -14.025 19.854 7.015 1.00 61.41 H new ATOM 421 N LEU A 39 -9.153 15.279 6.468 1.00 51.35 N ATOM 422 CA LEU A 39 -9.176 14.283 5.446 1.00 63.44 C ATOM 423 C LEU A 39 -7.933 13.419 5.579 1.00 71.43 C ATOM 424 O LEU A 39 -6.940 13.603 4.851 1.00 70.03 O ATOM 425 CB LEU A 39 -9.257 14.881 4.012 1.00 30.10 C ATOM 426 CG LEU A 39 -9.898 13.981 2.913 1.00 42.04 C ATOM 427 CD1 LEU A 39 -9.718 14.579 1.550 1.00 65.32 C ATOM 428 CD2 LEU A 39 -9.378 12.564 2.925 1.00 55.23 C ATOM 0 H LEU A 39 -8.538 16.070 6.276 1.00 51.35 H new ATOM 0 HA LEU A 39 -10.080 13.689 5.583 1.00 63.44 H new ATOM 0 HB2 LEU A 39 -9.823 15.811 4.063 1.00 30.10 H new ATOM 0 HB3 LEU A 39 -8.247 15.139 3.694 1.00 30.10 H new ATOM 0 HG LEU A 39 -10.961 13.935 3.151 1.00 42.04 H new ATOM 0 HD11 LEU A 39 -10.175 13.929 0.804 1.00 65.32 H new ATOM 0 HD12 LEU A 39 -10.193 15.559 1.517 1.00 65.32 H new ATOM 0 HD13 LEU A 39 -8.654 14.684 1.336 1.00 65.32 H new ATOM 0 HD21 LEU A 39 -9.865 11.991 2.136 1.00 55.23 H new ATOM 0 HD22 LEU A 39 -8.301 12.570 2.757 1.00 55.23 H new ATOM 0 HD23 LEU A 39 -9.592 12.106 3.891 1.00 55.23 H new ATOM 440 N HIS A 40 -7.963 12.573 6.549 1.00 2.34 N ATOM 441 CA HIS A 40 -6.967 11.559 6.706 1.00 74.50 C ATOM 442 C HIS A 40 -7.509 10.284 6.023 1.00 64.23 C ATOM 443 O HIS A 40 -8.702 10.216 5.695 1.00 50.20 O ATOM 444 CB HIS A 40 -6.595 11.351 8.200 1.00 41.04 C ATOM 445 CG HIS A 40 -5.532 10.305 8.430 1.00 71.20 C ATOM 446 ND1 HIS A 40 -5.801 9.085 8.953 1.00 75.44 N ATOM 447 CD2 HIS A 40 -4.207 10.293 8.132 1.00 74.52 C ATOM 448 CE1 HIS A 40 -4.710 8.355 8.959 1.00 43.13 C ATOM 449 NE2 HIS A 40 -3.684 9.040 8.470 1.00 64.13 N ATOM 0 H HIS A 40 -8.687 12.562 7.267 1.00 2.34 H new ATOM 0 HA HIS A 40 -6.030 11.849 6.231 1.00 74.50 H new ATOM 0 HB2 HIS A 40 -6.252 12.299 8.613 1.00 41.04 H new ATOM 0 HB3 HIS A 40 -7.492 11.069 8.751 1.00 41.04 H new ATOM 0 HD2 HIS A 40 -3.650 11.114 7.705 1.00 74.52 H new ATOM 0 HE1 HIS A 40 -4.655 7.336 9.313 1.00 43.13 H new ATOM 0 HE2 HIS A 40 -2.721 8.721 8.363 1.00 64.13 H new ATOM 457 N GLU A 41 -6.651 9.331 5.788 1.00 62.21 N ATOM 458 CA GLU A 41 -6.936 8.134 5.003 1.00 13.11 C ATOM 459 C GLU A 41 -8.188 7.343 5.463 1.00 61.22 C ATOM 460 O GLU A 41 -8.921 6.792 4.621 1.00 14.24 O ATOM 461 CB GLU A 41 -5.712 7.206 4.995 1.00 13.34 C ATOM 462 CG GLU A 41 -4.374 7.921 4.761 1.00 61.03 C ATOM 463 CD GLU A 41 -4.406 8.896 3.606 1.00 24.21 C ATOM 464 OE1 GLU A 41 -4.498 10.119 3.854 1.00 14.42 O ATOM 465 OE2 GLU A 41 -4.381 8.472 2.443 1.00 72.22 O1- ATOM 0 H GLU A 41 -5.696 9.355 6.145 1.00 62.21 H new ATOM 0 HA GLU A 41 -7.160 8.491 3.998 1.00 13.11 H new ATOM 0 HB2 GLU A 41 -5.666 6.678 5.947 1.00 13.34 H new ATOM 0 HB3 GLU A 41 -5.848 6.453 4.219 1.00 13.34 H new ATOM 0 HG2 GLU A 41 -4.092 8.454 5.669 1.00 61.03 H new ATOM 0 HG3 GLU A 41 -3.600 7.176 4.576 1.00 61.03 H new ATOM 472 N GLU A 42 -8.466 7.310 6.760 1.00 64.02 N ATOM 473 CA GLU A 42 -9.564 6.485 7.257 1.00 44.13 C ATOM 474 C GLU A 42 -10.813 7.342 7.530 1.00 13.32 C ATOM 475 O GLU A 42 -11.833 6.844 8.011 1.00 62.15 O ATOM 476 CB GLU A 42 -9.140 5.690 8.534 1.00 61.54 C ATOM 477 CG GLU A 42 -9.212 6.452 9.861 1.00 54.44 C ATOM 478 CD GLU A 42 -8.232 7.564 9.948 1.00 32.12 C ATOM 479 OE1 GLU A 42 -8.413 8.585 9.260 1.00 45.12 O ATOM 480 OE2 GLU A 42 -7.248 7.427 10.658 1.00 54.12 O1- ATOM 0 H GLU A 42 -7.960 7.832 7.475 1.00 64.02 H new ATOM 0 HA GLU A 42 -9.814 5.760 6.483 1.00 44.13 H new ATOM 0 HB2 GLU A 42 -9.772 4.805 8.612 1.00 61.54 H new ATOM 0 HB3 GLU A 42 -8.117 5.340 8.395 1.00 61.54 H new ATOM 0 HG2 GLU A 42 -10.218 6.851 9.990 1.00 54.44 H new ATOM 0 HG3 GLU A 42 -9.038 5.757 10.682 1.00 54.44 H new ATOM 487 N SER A 43 -10.723 8.615 7.195 1.00 74.54 N ATOM 488 CA SER A 43 -11.796 9.550 7.427 1.00 41.23 C ATOM 489 C SER A 43 -13.017 9.206 6.563 1.00 74.21 C ATOM 490 O SER A 43 -12.892 8.861 5.358 1.00 25.53 O ATOM 491 CB SER A 43 -11.307 10.982 7.160 1.00 71.04 C ATOM 492 OG SER A 43 -12.281 11.958 7.496 1.00 45.31 O ATOM 0 H SER A 43 -9.900 9.026 6.754 1.00 74.54 H new ATOM 0 HA SER A 43 -12.106 9.481 8.470 1.00 41.23 H new ATOM 0 HB2 SER A 43 -10.399 11.166 7.734 1.00 71.04 H new ATOM 0 HB3 SER A 43 -11.044 11.083 6.107 1.00 71.04 H new ATOM 0 HG SER A 43 -11.842 12.823 7.639 1.00 45.31 H new ATOM 498 N ASN A 44 -14.185 9.273 7.180 1.00 20.41 N ATOM 499 CA ASN A 44 -15.428 8.984 6.509 1.00 12.05 C ATOM 500 C ASN A 44 -15.887 10.216 5.764 1.00 3.04 C ATOM 501 O ASN A 44 -16.431 11.154 6.345 1.00 23.23 O ATOM 502 CB ASN A 44 -16.505 8.483 7.501 1.00 5.54 C ATOM 503 CG ASN A 44 -17.833 8.056 6.840 1.00 3.33 C ATOM 504 OD1 ASN A 44 -18.275 8.607 5.829 1.00 2.23 O ATOM 505 ND2 ASN A 44 -18.470 7.059 7.410 1.00 63.23 N ATOM 0 H ASN A 44 -14.291 9.530 8.161 1.00 20.41 H new ATOM 0 HA ASN A 44 -15.268 8.177 5.794 1.00 12.05 H new ATOM 0 HB2 ASN A 44 -16.102 7.637 8.058 1.00 5.54 H new ATOM 0 HB3 ASN A 44 -16.711 9.272 8.224 1.00 5.54 H new ATOM 0 HD21 ASN A 44 -19.350 6.725 7.017 1.00 63.23 H new ATOM 0 HD22 ASN A 44 -18.085 6.619 8.246 1.00 63.23 H new ATOM 512 N LEU A 45 -15.647 10.195 4.484 1.00 74.24 N ATOM 513 CA LEU A 45 -15.942 11.292 3.583 1.00 54.12 C ATOM 514 C LEU A 45 -17.412 11.713 3.545 1.00 10.34 C ATOM 515 O LEU A 45 -17.700 12.878 3.326 1.00 44.21 O ATOM 516 CB LEU A 45 -15.418 10.962 2.202 1.00 12.00 C ATOM 517 CG LEU A 45 -13.901 11.053 2.050 1.00 72.35 C ATOM 518 CD1 LEU A 45 -13.454 10.259 0.851 1.00 62.21 C ATOM 519 CD2 LEU A 45 -13.478 12.521 1.903 1.00 1.23 C ATOM 0 H LEU A 45 -15.227 9.392 4.016 1.00 74.24 H new ATOM 0 HA LEU A 45 -15.427 12.168 3.978 1.00 54.12 H new ATOM 0 HB2 LEU A 45 -15.735 9.952 1.941 1.00 12.00 H new ATOM 0 HB3 LEU A 45 -15.882 11.637 1.483 1.00 12.00 H new ATOM 0 HG LEU A 45 -13.428 10.638 2.940 1.00 72.35 H new ATOM 0 HD11 LEU A 45 -12.371 10.330 0.751 1.00 62.21 H new ATOM 0 HD12 LEU A 45 -13.739 9.215 0.979 1.00 62.21 H new ATOM 0 HD13 LEU A 45 -13.928 10.657 -0.046 1.00 62.21 H new ATOM 0 HD21 LEU A 45 -12.395 12.578 1.795 1.00 1.23 H new ATOM 0 HD22 LEU A 45 -13.954 12.950 1.021 1.00 1.23 H new ATOM 0 HD23 LEU A 45 -13.784 13.078 2.788 1.00 1.23 H new ATOM 531 N ILE A 46 -18.333 10.798 3.808 1.00 44.55 N ATOM 532 CA ILE A 46 -19.759 11.151 3.798 1.00 52.13 C ATOM 533 C ILE A 46 -20.057 12.080 4.984 1.00 22.13 C ATOM 534 O ILE A 46 -20.802 13.047 4.866 1.00 22.40 O ATOM 535 CB ILE A 46 -20.679 9.885 3.857 1.00 23.01 C ATOM 536 CG1 ILE A 46 -20.456 8.976 2.632 1.00 53.40 C ATOM 537 CG2 ILE A 46 -22.159 10.259 3.987 1.00 11.25 C ATOM 538 CD1 ILE A 46 -20.804 9.599 1.297 1.00 60.11 C ATOM 0 H ILE A 46 -18.133 9.822 4.028 1.00 44.55 H new ATOM 0 HA ILE A 46 -19.976 11.661 2.859 1.00 52.13 H new ATOM 0 HB ILE A 46 -20.399 9.330 4.753 1.00 23.01 H new ATOM 0 HG12 ILE A 46 -19.410 8.671 2.611 1.00 53.40 H new ATOM 0 HG13 ILE A 46 -21.049 8.070 2.758 1.00 53.40 H new ATOM 0 HG21 ILE A 46 -22.762 9.352 4.024 1.00 11.25 H new ATOM 0 HG22 ILE A 46 -22.310 10.833 4.901 1.00 11.25 H new ATOM 0 HG23 ILE A 46 -22.460 10.859 3.128 1.00 11.25 H new ATOM 0 HD11 ILE A 46 -20.613 8.881 0.499 1.00 60.11 H new ATOM 0 HD12 ILE A 46 -21.858 9.878 1.289 1.00 60.11 H new ATOM 0 HD13 ILE A 46 -20.193 10.488 1.140 1.00 60.11 H new ATOM 550 N GLN A 47 -19.361 11.834 6.079 1.00 14.14 N ATOM 551 CA GLN A 47 -19.529 12.587 7.317 1.00 2.14 C ATOM 552 C GLN A 47 -18.720 13.873 7.253 1.00 72.23 C ATOM 553 O GLN A 47 -18.856 14.757 8.085 1.00 21.03 O ATOM 554 CB GLN A 47 -19.107 11.744 8.524 1.00 73.13 C ATOM 555 CG GLN A 47 -19.920 10.463 8.692 1.00 73.21 C ATOM 556 CD GLN A 47 -21.405 10.723 8.892 1.00 14.11 C ATOM 557 OE1 GLN A 47 -21.804 11.728 9.442 1.00 30.13 O ATOM 558 NE2 GLN A 47 -22.230 9.813 8.435 1.00 62.24 N ATOM 0 H GLN A 47 -18.656 11.100 6.139 1.00 14.14 H new ATOM 0 HA GLN A 47 -20.583 12.839 7.434 1.00 2.14 H new ATOM 0 HB2 GLN A 47 -18.053 11.484 8.424 1.00 73.13 H new ATOM 0 HB3 GLN A 47 -19.203 12.346 9.428 1.00 73.13 H new ATOM 0 HG2 GLN A 47 -19.782 9.834 7.813 1.00 73.21 H new ATOM 0 HG3 GLN A 47 -19.536 9.905 9.546 1.00 73.21 H new ATOM 0 HE21 GLN A 47 -21.865 8.978 7.977 1.00 62.24 H new ATOM 0 HE22 GLN A 47 -23.237 9.940 8.537 1.00 62.24 H new ATOM 567 N ALA A 48 -17.874 13.957 6.240 1.00 0.30 N ATOM 568 CA ALA A 48 -17.102 15.149 5.971 1.00 30.43 C ATOM 569 C ALA A 48 -17.959 16.116 5.159 1.00 14.12 C ATOM 570 O ALA A 48 -17.555 17.235 4.863 1.00 15.22 O ATOM 571 CB ALA A 48 -15.823 14.793 5.223 1.00 44.30 C ATOM 0 H ALA A 48 -17.706 13.196 5.582 1.00 0.30 H new ATOM 0 HA ALA A 48 -16.815 15.625 6.909 1.00 30.43 H new ATOM 0 HB1 ALA A 48 -15.252 15.700 5.027 1.00 44.30 H new ATOM 0 HB2 ALA A 48 -15.225 14.111 5.828 1.00 44.30 H new ATOM 0 HB3 ALA A 48 -16.076 14.312 4.278 1.00 44.30 H new ATOM 577 N GLY A 49 -19.147 15.647 4.807 1.00 14.42 N ATOM 578 CA GLY A 49 -20.103 16.441 4.100 1.00 72.41 C ATOM 579 C GLY A 49 -20.077 16.200 2.613 1.00 51.21 C ATOM 580 O GLY A 49 -20.120 17.138 1.812 1.00 11.33 O ATOM 0 H GLY A 49 -19.463 14.699 5.011 1.00 14.42 H new ATOM 0 HA2 GLY A 49 -21.101 16.225 4.481 1.00 72.41 H new ATOM 0 HA3 GLY A 49 -19.909 17.495 4.296 1.00 72.41 H new ATOM 584 N LEU A 50 -20.011 14.954 2.233 1.00 5.44 N ATOM 585 CA LEU A 50 -19.983 14.607 0.844 1.00 72.42 C ATOM 586 C LEU A 50 -21.356 14.156 0.425 1.00 22.13 C ATOM 587 O LEU A 50 -21.769 13.023 0.685 1.00 42.24 O ATOM 588 CB LEU A 50 -18.910 13.542 0.578 1.00 13.23 C ATOM 589 CG LEU A 50 -18.045 13.767 -0.658 1.00 2.41 C ATOM 590 CD1 LEU A 50 -16.636 13.234 -0.427 1.00 33.11 C ATOM 591 CD2 LEU A 50 -18.660 13.087 -1.855 1.00 32.13 C ATOM 0 H LEU A 50 -19.976 14.160 2.872 1.00 5.44 H new ATOM 0 HA LEU A 50 -19.713 15.476 0.244 1.00 72.42 H new ATOM 0 HB2 LEU A 50 -18.258 13.485 1.449 1.00 13.23 H new ATOM 0 HB3 LEU A 50 -19.401 12.574 0.483 1.00 13.23 H new ATOM 0 HG LEU A 50 -17.988 14.839 -0.848 1.00 2.41 H new ATOM 0 HD11 LEU A 50 -16.032 13.403 -1.319 1.00 33.11 H new ATOM 0 HD12 LEU A 50 -16.185 13.752 0.420 1.00 33.11 H new ATOM 0 HD13 LEU A 50 -16.681 12.166 -0.216 1.00 33.11 H new ATOM 0 HD21 LEU A 50 -18.033 13.255 -2.731 1.00 32.13 H new ATOM 0 HD22 LEU A 50 -18.738 12.017 -1.665 1.00 32.13 H new ATOM 0 HD23 LEU A 50 -19.654 13.497 -2.036 1.00 32.13 H new ATOM 603 N ASP A 51 -22.087 15.085 -0.149 1.00 13.20 N ATOM 604 CA ASP A 51 -23.431 14.850 -0.646 1.00 33.02 C ATOM 605 C ASP A 51 -23.373 13.936 -1.854 1.00 53.13 C ATOM 606 O ASP A 51 -22.304 13.684 -2.404 1.00 55.25 O ATOM 607 CB ASP A 51 -24.095 16.166 -1.048 1.00 34.31 C ATOM 608 CG ASP A 51 -23.377 16.815 -2.201 1.00 63.52 C ATOM 609 OD1 ASP A 51 -22.382 17.528 -1.952 1.00 1.43 O ATOM 610 OD2 ASP A 51 -23.761 16.569 -3.362 1.00 3.54 O1- ATOM 0 H ASP A 51 -21.762 16.042 -0.288 1.00 13.20 H new ATOM 0 HA ASP A 51 -24.016 14.385 0.148 1.00 33.02 H new ATOM 0 HB2 ASP A 51 -25.134 15.982 -1.322 1.00 34.31 H new ATOM 0 HB3 ASP A 51 -24.105 16.845 -0.195 1.00 34.31 H new ATOM 615 N SER A 52 -24.509 13.482 -2.301 1.00 20.13 N ATOM 616 CA SER A 52 -24.534 12.535 -3.367 1.00 2.23 C ATOM 617 C SER A 52 -24.316 13.122 -4.769 1.00 42.01 C ATOM 618 O SER A 52 -24.027 12.374 -5.695 1.00 31.20 O ATOM 619 CB SER A 52 -25.740 11.655 -3.285 1.00 0.43 C ATOM 620 OG SER A 52 -25.786 11.043 -2.001 1.00 63.33 O ATOM 0 H SER A 52 -25.424 13.754 -1.942 1.00 20.13 H new ATOM 0 HA SER A 52 -23.653 11.912 -3.216 1.00 2.23 H new ATOM 0 HB2 SER A 52 -26.644 12.240 -3.455 1.00 0.43 H new ATOM 0 HB3 SER A 52 -25.702 10.893 -4.063 1.00 0.43 H new ATOM 0 HG SER A 52 -26.650 10.596 -1.882 1.00 63.33 H new ATOM 626 N ILE A 53 -24.415 14.437 -4.947 1.00 31.54 N ATOM 627 CA ILE A 53 -24.092 14.972 -6.259 1.00 13.12 C ATOM 628 C ILE A 53 -22.614 15.067 -6.322 1.00 20.05 C ATOM 629 O ILE A 53 -22.013 14.672 -7.293 1.00 73.41 O ATOM 630 CB ILE A 53 -24.683 16.361 -6.589 1.00 43.34 C ATOM 631 CG1 ILE A 53 -26.225 16.339 -6.504 1.00 14.04 C ATOM 632 CG2 ILE A 53 -24.207 16.796 -8.006 1.00 43.42 C ATOM 633 CD1 ILE A 53 -26.900 15.347 -7.443 1.00 23.40 C ATOM 0 H ILE A 53 -24.700 15.116 -4.241 1.00 31.54 H new ATOM 0 HA ILE A 53 -24.536 14.298 -6.992 1.00 13.12 H new ATOM 0 HB ILE A 53 -24.329 17.085 -5.856 1.00 43.34 H new ATOM 0 HG12 ILE A 53 -26.516 16.105 -5.480 1.00 14.04 H new ATOM 0 HG13 ILE A 53 -26.602 17.338 -6.721 1.00 14.04 H new ATOM 0 HG21 ILE A 53 -24.621 17.776 -8.244 1.00 43.42 H new ATOM 0 HG22 ILE A 53 -23.118 16.848 -8.024 1.00 43.42 H new ATOM 0 HG23 ILE A 53 -24.548 16.069 -8.743 1.00 43.42 H new ATOM 0 HD11 ILE A 53 -27.981 15.401 -7.314 1.00 23.40 H new ATOM 0 HD12 ILE A 53 -26.645 15.591 -8.474 1.00 23.40 H new ATOM 0 HD13 ILE A 53 -26.558 14.338 -7.213 1.00 23.40 H new ATOM 645 N ARG A 54 -22.029 15.535 -5.237 1.00 1.22 N ATOM 646 CA ARG A 54 -20.597 15.610 -5.097 1.00 34.42 C ATOM 647 C ARG A 54 -20.003 14.192 -5.123 1.00 72.52 C ATOM 648 O ARG A 54 -18.868 13.994 -5.493 1.00 42.41 O ATOM 649 CB ARG A 54 -20.256 16.356 -3.812 1.00 14.44 C ATOM 650 CG ARG A 54 -18.795 16.429 -3.453 1.00 34.22 C ATOM 651 CD ARG A 54 -18.612 17.166 -2.139 1.00 11.41 C ATOM 652 NE ARG A 54 -18.459 18.631 -2.280 1.00 53.31 N ATOM 653 CZ ARG A 54 -19.251 19.547 -1.693 1.00 41.02 C ATOM 654 NH1 ARG A 54 -20.526 19.272 -1.419 1.00 3.34 N1+ ATOM 655 NH2 ARG A 54 -18.791 20.783 -1.482 1.00 73.32 N ATOM 0 H ARG A 54 -22.543 15.875 -4.424 1.00 1.22 H new ATOM 0 HA ARG A 54 -20.159 16.163 -5.928 1.00 34.42 H new ATOM 0 HB2 ARG A 54 -20.640 17.373 -3.894 1.00 14.44 H new ATOM 0 HB3 ARG A 54 -20.788 15.880 -2.988 1.00 14.44 H new ATOM 0 HG2 ARG A 54 -18.382 15.423 -3.374 1.00 34.22 H new ATOM 0 HG3 ARG A 54 -18.244 16.939 -4.244 1.00 34.22 H new ATOM 0 HD2 ARG A 54 -19.470 16.962 -1.499 1.00 11.41 H new ATOM 0 HD3 ARG A 54 -17.733 16.768 -1.631 1.00 11.41 H new ATOM 0 HE ARG A 54 -17.697 18.972 -2.866 1.00 53.31 H new ATOM 0 HH11 ARG A 54 -20.913 18.358 -1.654 1.00 3.34 H new ATOM 0 HH12 ARG A 54 -21.115 19.976 -0.974 1.00 3.34 H new ATOM 0 HH21 ARG A 54 -17.843 21.030 -1.766 1.00 73.32 H new ATOM 0 HH22 ARG A 54 -19.388 21.480 -1.037 1.00 73.32 H new ATOM 669 N LEU A 55 -20.811 13.224 -4.762 1.00 34.12 N ATOM 670 CA LEU A 55 -20.422 11.833 -4.807 1.00 22.31 C ATOM 671 C LEU A 55 -20.506 11.321 -6.258 1.00 20.12 C ATOM 672 O LEU A 55 -19.631 10.595 -6.725 1.00 75.50 O ATOM 673 CB LEU A 55 -21.338 11.024 -3.872 1.00 54.13 C ATOM 674 CG LEU A 55 -20.903 9.604 -3.477 1.00 14.42 C ATOM 675 CD1 LEU A 55 -19.428 9.547 -3.159 1.00 22.22 C ATOM 676 CD2 LEU A 55 -21.652 9.205 -2.240 1.00 1.14 C ATOM 0 H LEU A 55 -21.762 13.379 -4.427 1.00 34.12 H new ATOM 0 HA LEU A 55 -19.393 11.716 -4.468 1.00 22.31 H new ATOM 0 HB2 LEU A 55 -21.469 11.599 -2.955 1.00 54.13 H new ATOM 0 HB3 LEU A 55 -22.317 10.952 -4.346 1.00 54.13 H new ATOM 0 HG LEU A 55 -21.112 8.937 -4.314 1.00 14.42 H new ATOM 0 HD11 LEU A 55 -19.154 8.529 -2.884 1.00 22.22 H new ATOM 0 HD12 LEU A 55 -18.855 9.853 -4.034 1.00 22.22 H new ATOM 0 HD13 LEU A 55 -19.209 10.219 -2.329 1.00 22.22 H new ATOM 0 HD21 LEU A 55 -21.356 8.199 -1.944 1.00 1.14 H new ATOM 0 HD22 LEU A 55 -21.422 9.902 -1.435 1.00 1.14 H new ATOM 0 HD23 LEU A 55 -22.723 9.224 -2.441 1.00 1.14 H new ATOM 688 N MET A 56 -21.525 11.782 -6.992 1.00 63.03 N ATOM 689 CA MET A 56 -21.732 11.374 -8.391 1.00 0.34 C ATOM 690 C MET A 56 -20.694 12.069 -9.240 1.00 34.53 C ATOM 691 O MET A 56 -20.239 11.559 -10.273 1.00 42.50 O ATOM 692 CB MET A 56 -23.144 11.753 -8.862 1.00 32.53 C ATOM 693 CG MET A 56 -23.489 11.264 -10.268 1.00 74.33 C ATOM 694 SD MET A 56 -23.479 9.460 -10.412 1.00 20.15 S ATOM 695 CE MET A 56 -24.800 9.009 -9.280 1.00 1.21 C ATOM 0 H MET A 56 -22.222 12.439 -6.642 1.00 63.03 H new ATOM 0 HA MET A 56 -21.632 10.292 -8.481 1.00 0.34 H new ATOM 0 HB2 MET A 56 -23.871 11.345 -8.159 1.00 32.53 H new ATOM 0 HB3 MET A 56 -23.246 12.838 -8.832 1.00 32.53 H new ATOM 0 HG2 MET A 56 -24.474 11.640 -10.546 1.00 74.33 H new ATOM 0 HG3 MET A 56 -22.776 11.684 -10.978 1.00 74.33 H new ATOM 0 HE1 MET A 56 -25.128 7.991 -9.491 1.00 1.21 H new ATOM 0 HE2 MET A 56 -24.436 9.068 -8.254 1.00 1.21 H new ATOM 0 HE3 MET A 56 -25.638 9.694 -9.407 1.00 1.21 H new ATOM 705 N ARG A 57 -20.305 13.234 -8.747 1.00 23.11 N ATOM 706 CA ARG A 57 -19.251 14.052 -9.277 1.00 63.30 C ATOM 707 C ARG A 57 -17.968 13.247 -9.412 1.00 40.33 C ATOM 708 O ARG A 57 -17.157 13.472 -10.312 1.00 2.33 O ATOM 709 CB ARG A 57 -18.993 15.197 -8.314 1.00 4.22 C ATOM 710 CG ARG A 57 -19.780 16.447 -8.601 1.00 5.25 C ATOM 711 CD ARG A 57 -19.037 17.289 -9.621 1.00 20.52 C ATOM 712 NE ARG A 57 -17.741 17.742 -9.059 1.00 3.13 N ATOM 713 CZ ARG A 57 -16.518 17.322 -9.441 1.00 14.41 C ATOM 714 NH1 ARG A 57 -16.386 16.404 -10.413 1.00 3.33 N1+ ATOM 715 NH2 ARG A 57 -15.440 17.787 -8.815 1.00 32.15 N ATOM 0 H ARG A 57 -20.745 13.646 -7.924 1.00 23.11 H new ATOM 0 HA ARG A 57 -19.551 14.422 -10.258 1.00 63.30 H new ATOM 0 HB2 ARG A 57 -19.224 14.863 -7.303 1.00 4.22 H new ATOM 0 HB3 ARG A 57 -17.931 15.440 -8.335 1.00 4.22 H new ATOM 0 HG2 ARG A 57 -20.769 16.188 -8.979 1.00 5.25 H new ATOM 0 HG3 ARG A 57 -19.928 17.015 -7.683 1.00 5.25 H new ATOM 0 HD2 ARG A 57 -18.866 16.709 -10.528 1.00 20.52 H new ATOM 0 HD3 ARG A 57 -19.642 18.151 -9.903 1.00 20.52 H new ATOM 0 HE ARG A 57 -17.779 18.437 -8.313 1.00 3.13 H new ATOM 0 HH11 ARG A 57 -17.214 16.020 -10.868 1.00 3.33 H new ATOM 0 HH12 ARG A 57 -15.457 16.091 -10.696 1.00 3.33 H new ATOM 0 HH21 ARG A 57 -15.542 18.456 -8.052 1.00 32.15 H new ATOM 0 HH22 ARG A 57 -14.511 17.474 -9.098 1.00 32.15 H new ATOM 729 N TRP A 58 -17.788 12.318 -8.503 1.00 23.44 N ATOM 730 CA TRP A 58 -16.620 11.511 -8.497 1.00 24.42 C ATOM 731 C TRP A 58 -16.702 10.338 -9.423 1.00 61.22 C ATOM 732 O TRP A 58 -15.706 9.974 -10.029 1.00 0.52 O ATOM 733 CB TRP A 58 -16.189 11.129 -7.089 1.00 72.33 C ATOM 734 CG TRP A 58 -15.755 12.326 -6.313 1.00 43.30 C ATOM 735 CD1 TRP A 58 -16.177 12.721 -5.084 1.00 15.04 C ATOM 736 CD2 TRP A 58 -14.838 13.321 -6.759 1.00 11.43 C ATOM 737 NE1 TRP A 58 -15.552 13.893 -4.734 1.00 10.20 N ATOM 738 CE2 TRP A 58 -14.723 14.270 -5.753 1.00 34.11 C ATOM 739 CE3 TRP A 58 -14.089 13.488 -7.919 1.00 32.21 C ATOM 740 CZ2 TRP A 58 -13.891 15.362 -5.881 1.00 74.13 C ATOM 741 CZ3 TRP A 58 -13.284 14.565 -8.033 1.00 53.32 C ATOM 742 CH2 TRP A 58 -13.190 15.480 -7.029 1.00 22.03 C ATOM 0 H TRP A 58 -18.451 12.111 -7.756 1.00 23.44 H new ATOM 0 HA TRP A 58 -15.824 12.136 -8.902 1.00 24.42 H new ATOM 0 HB2 TRP A 58 -17.015 10.639 -6.574 1.00 72.33 H new ATOM 0 HB3 TRP A 58 -15.372 10.409 -7.139 1.00 72.33 H new ATOM 0 HD1 TRP A 58 -16.895 12.193 -4.474 1.00 15.04 H new ATOM 0 HE1 TRP A 58 -15.685 14.399 -3.858 1.00 10.20 H new ATOM 0 HE3 TRP A 58 -14.151 12.765 -8.719 1.00 32.21 H new ATOM 0 HZ2 TRP A 58 -13.803 16.095 -5.093 1.00 74.13 H new ATOM 0 HZ3 TRP A 58 -12.705 14.703 -8.934 1.00 53.32 H new ATOM 0 HH2 TRP A 58 -12.533 16.328 -7.155 1.00 22.03 H new ATOM 753 N LEU A 59 -17.886 9.790 -9.599 1.00 14.11 N ATOM 754 CA LEU A 59 -18.058 8.624 -10.450 1.00 13.11 C ATOM 755 C LEU A 59 -17.601 8.917 -11.884 1.00 24.50 C ATOM 756 O LEU A 59 -16.869 8.116 -12.496 1.00 71.11 O ATOM 757 CB LEU A 59 -19.508 8.137 -10.441 1.00 61.42 C ATOM 758 CG LEU A 59 -19.773 6.868 -11.250 1.00 33.34 C ATOM 759 CD1 LEU A 59 -19.017 5.686 -10.673 1.00 53.33 C ATOM 760 CD2 LEU A 59 -21.252 6.568 -11.333 1.00 23.11 C ATOM 0 H LEU A 59 -18.745 10.130 -9.166 1.00 14.11 H new ATOM 0 HA LEU A 59 -17.432 7.829 -10.045 1.00 13.11 H new ATOM 0 HB2 LEU A 59 -19.809 7.960 -9.408 1.00 61.42 H new ATOM 0 HB3 LEU A 59 -20.144 8.934 -10.826 1.00 61.42 H new ATOM 0 HG LEU A 59 -19.410 7.042 -12.263 1.00 33.34 H new ATOM 0 HD11 LEU A 59 -19.224 4.796 -11.268 1.00 53.33 H new ATOM 0 HD12 LEU A 59 -17.947 5.894 -10.691 1.00 53.33 H new ATOM 0 HD13 LEU A 59 -19.336 5.517 -9.645 1.00 53.33 H new ATOM 0 HD21 LEU A 59 -21.407 5.659 -11.915 1.00 23.11 H new ATOM 0 HD22 LEU A 59 -21.652 6.428 -10.329 1.00 23.11 H new ATOM 0 HD23 LEU A 59 -21.765 7.400 -11.815 1.00 23.11 H new ATOM 772 N HIS A 60 -17.975 10.085 -12.398 1.00 75.20 N ATOM 773 CA HIS A 60 -17.580 10.455 -13.752 1.00 13.53 C ATOM 774 C HIS A 60 -16.107 10.890 -13.784 1.00 12.03 C ATOM 775 O HIS A 60 -15.473 10.903 -14.833 1.00 11.23 O ATOM 776 CB HIS A 60 -18.503 11.549 -14.375 1.00 60.54 C ATOM 777 CG HIS A 60 -18.391 12.941 -13.786 1.00 43.10 C ATOM 778 ND1 HIS A 60 -17.516 13.897 -14.256 1.00 33.41 N ATOM 779 CD2 HIS A 60 -19.077 13.533 -12.781 1.00 64.01 C ATOM 780 CE1 HIS A 60 -17.687 15.009 -13.546 1.00 20.14 C ATOM 781 NE2 HIS A 60 -18.623 14.852 -12.631 1.00 3.33 N ATOM 0 H HIS A 60 -18.540 10.779 -11.909 1.00 75.20 H new ATOM 0 HA HIS A 60 -17.698 9.566 -14.371 1.00 13.53 H new ATOM 0 HB2 HIS A 60 -18.287 11.611 -15.442 1.00 60.54 H new ATOM 0 HB3 HIS A 60 -19.537 11.219 -14.278 1.00 60.54 H new ATOM 0 HD1 HIS A 60 -16.850 13.773 -15.019 1.00 33.41 H new ATOM 0 HD2 HIS A 60 -19.850 13.065 -12.189 1.00 64.01 H new ATOM 0 HE1 HIS A 60 -17.131 15.922 -13.699 1.00 20.14 H new ATOM 789 N TRP A 61 -15.571 11.220 -12.621 1.00 14.03 N ATOM 790 CA TRP A 61 -14.196 11.646 -12.508 1.00 61.33 C ATOM 791 C TRP A 61 -13.281 10.420 -12.578 1.00 42.42 C ATOM 792 O TRP A 61 -12.195 10.478 -13.134 1.00 14.51 O ATOM 793 CB TRP A 61 -13.980 12.419 -11.206 1.00 3.52 C ATOM 794 CG TRP A 61 -12.652 13.122 -11.108 1.00 44.13 C ATOM 795 CD1 TRP A 61 -12.402 14.436 -11.370 1.00 51.32 C ATOM 796 CD2 TRP A 61 -11.406 12.555 -10.715 1.00 35.41 C ATOM 797 NE1 TRP A 61 -11.078 14.716 -11.172 1.00 65.45 N ATOM 798 CE2 TRP A 61 -10.447 13.578 -10.775 1.00 71.30 C ATOM 799 CE3 TRP A 61 -11.006 11.280 -10.322 1.00 60.12 C ATOM 800 CZ2 TRP A 61 -9.130 13.366 -10.464 1.00 4.34 C ATOM 801 CZ3 TRP A 61 -9.695 11.074 -10.013 1.00 63.34 C ATOM 802 CH2 TRP A 61 -8.772 12.111 -10.087 1.00 35.02 C ATOM 0 H TRP A 61 -16.078 11.199 -11.736 1.00 14.03 H new ATOM 0 HA TRP A 61 -13.954 12.316 -13.333 1.00 61.33 H new ATOM 0 HB2 TRP A 61 -14.776 13.157 -11.100 1.00 3.52 H new ATOM 0 HB3 TRP A 61 -14.073 11.728 -10.368 1.00 3.52 H new ATOM 0 HD1 TRP A 61 -13.144 15.154 -11.688 1.00 51.32 H new ATOM 0 HE1 TRP A 61 -10.637 15.627 -11.301 1.00 65.45 H new ATOM 0 HE3 TRP A 61 -11.720 10.472 -10.263 1.00 60.12 H new ATOM 0 HZ2 TRP A 61 -8.405 14.165 -10.516 1.00 4.34 H new ATOM 0 HZ3 TRP A 61 -9.368 10.091 -9.706 1.00 63.34 H new ATOM 0 HH2 TRP A 61 -7.740 11.913 -9.837 1.00 35.02 H new ATOM 813 N PHE A 62 -13.699 9.319 -11.994 1.00 43.04 N ATOM 814 CA PHE A 62 -12.945 8.085 -12.163 1.00 12.22 C ATOM 815 C PHE A 62 -13.008 7.698 -13.626 1.00 20.33 C ATOM 816 O PHE A 62 -12.003 7.583 -14.314 1.00 64.24 O ATOM 817 CB PHE A 62 -13.519 6.934 -11.303 1.00 75.13 C ATOM 818 CG PHE A 62 -13.324 7.080 -9.818 1.00 10.14 C ATOM 819 CD1 PHE A 62 -12.171 6.624 -9.218 1.00 0.33 C ATOM 820 CD2 PHE A 62 -14.292 7.658 -9.027 1.00 55.52 C ATOM 821 CE1 PHE A 62 -11.991 6.749 -7.849 1.00 44.42 C ATOM 822 CE2 PHE A 62 -14.122 7.787 -7.664 1.00 73.32 C ATOM 823 CZ PHE A 62 -12.970 7.332 -7.076 1.00 2.23 C ATOM 0 H PHE A 62 -14.533 9.246 -11.412 1.00 43.04 H new ATOM 0 HA PHE A 62 -11.918 8.253 -11.838 1.00 12.22 H new ATOM 0 HB2 PHE A 62 -14.587 6.849 -11.506 1.00 75.13 H new ATOM 0 HB3 PHE A 62 -13.058 5.999 -11.623 1.00 75.13 H new ATOM 0 HD1 PHE A 62 -11.400 6.165 -9.819 1.00 0.33 H new ATOM 0 HD2 PHE A 62 -15.203 8.018 -9.483 1.00 55.52 H new ATOM 0 HE1 PHE A 62 -11.083 6.389 -7.389 1.00 44.42 H new ATOM 0 HE2 PHE A 62 -14.893 8.245 -7.062 1.00 73.32 H new ATOM 0 HZ PHE A 62 -12.831 7.431 -6.010 1.00 2.23 H new ATOM 833 N ARG A 63 -14.201 7.618 -14.106 1.00 65.43 N ATOM 834 CA ARG A 63 -14.498 7.185 -15.451 1.00 62.13 C ATOM 835 C ARG A 63 -13.827 8.022 -16.605 1.00 0.21 C ATOM 836 O ARG A 63 -13.823 7.553 -17.729 1.00 52.11 O ATOM 837 CB ARG A 63 -16.014 6.976 -15.638 1.00 1.12 C ATOM 838 CG ARG A 63 -16.578 5.601 -15.241 1.00 25.24 C ATOM 839 CD ARG A 63 -16.305 5.216 -13.780 1.00 72.44 C ATOM 840 NE ARG A 63 -17.078 4.026 -13.356 1.00 74.05 N ATOM 841 CZ ARG A 63 -17.072 2.802 -13.939 1.00 11.14 C ATOM 842 NH1 ARG A 63 -16.120 2.450 -14.795 1.00 11.15 N1+ ATOM 843 NH2 ARG A 63 -17.959 1.909 -13.569 1.00 72.51 N ATOM 0 H ARG A 63 -15.032 7.857 -13.565 1.00 65.43 H new ATOM 0 HA ARG A 63 -14.009 6.217 -15.559 1.00 62.13 H new ATOM 0 HB2 ARG A 63 -16.536 7.738 -15.059 1.00 1.12 H new ATOM 0 HB3 ARG A 63 -16.255 7.152 -16.686 1.00 1.12 H new ATOM 0 HG2 ARG A 63 -17.654 5.597 -15.413 1.00 25.24 H new ATOM 0 HG3 ARG A 63 -16.149 4.841 -15.893 1.00 25.24 H new ATOM 0 HD2 ARG A 63 -15.241 5.019 -13.652 1.00 72.44 H new ATOM 0 HD3 ARG A 63 -16.554 6.057 -13.133 1.00 72.44 H new ATOM 0 HE ARG A 63 -17.678 4.139 -12.539 1.00 74.05 H new ATOM 0 HH11 ARG A 63 -15.374 3.106 -15.026 1.00 11.15 H new ATOM 0 HH12 ARG A 63 -16.135 1.524 -15.222 1.00 11.15 H new ATOM 0 HH21 ARG A 63 -18.644 2.139 -12.849 1.00 72.51 H new ATOM 0 HH22 ARG A 63 -17.963 0.985 -14.001 1.00 72.51 H new ATOM 857 N LYS A 64 -13.242 9.240 -16.294 1.00 11.41 N ATOM 858 CA LYS A 64 -12.573 10.152 -17.321 1.00 61.20 C ATOM 859 C LYS A 64 -11.719 9.369 -18.314 1.00 20.33 C ATOM 860 O LYS A 64 -11.835 9.521 -19.517 1.00 21.11 O ATOM 861 CB LYS A 64 -11.533 11.112 -16.679 1.00 61.35 C ATOM 862 CG LYS A 64 -11.962 12.017 -15.552 1.00 71.05 C ATOM 863 CD LYS A 64 -10.785 12.928 -15.089 1.00 1.54 C ATOM 864 CE LYS A 64 -9.459 12.161 -14.742 1.00 33.03 C ATOM 865 NZ LYS A 64 -9.542 11.279 -13.539 1.00 3.54 N1+ ATOM 0 H LYS A 64 -13.218 9.615 -15.346 1.00 11.41 H new ATOM 0 HA LYS A 64 -13.412 10.674 -17.782 1.00 61.20 H new ATOM 0 HB2 LYS A 64 -10.707 10.503 -16.313 1.00 61.35 H new ATOM 0 HB3 LYS A 64 -11.136 11.744 -17.474 1.00 61.35 H new ATOM 0 HG2 LYS A 64 -12.799 12.635 -15.876 1.00 71.05 H new ATOM 0 HG3 LYS A 64 -12.314 11.417 -14.713 1.00 71.05 H new ATOM 0 HD2 LYS A 64 -10.574 13.653 -15.875 1.00 1.54 H new ATOM 0 HD3 LYS A 64 -11.103 13.492 -14.212 1.00 1.54 H new ATOM 0 HE2 LYS A 64 -9.171 11.554 -15.601 1.00 33.03 H new ATOM 0 HE3 LYS A 64 -8.664 12.890 -14.586 1.00 33.03 H new ATOM 0 HZ1 LYS A 64 -8.930 10.449 -13.674 1.00 3.54 H new ATOM 0 HZ2 LYS A 64 -9.229 11.807 -12.699 1.00 3.54 H new ATOM 0 HZ3 LYS A 64 -10.525 10.966 -13.405 1.00 3.54 H new ATOM 879 N ASN A 65 -10.852 8.542 -17.771 1.00 13.54 N ATOM 880 CA ASN A 65 -9.883 7.804 -18.563 1.00 4.44 C ATOM 881 C ASN A 65 -10.180 6.343 -18.487 1.00 20.33 C ATOM 882 O ASN A 65 -9.338 5.502 -18.782 1.00 55.43 O ATOM 883 CB ASN A 65 -8.456 8.076 -18.061 1.00 13.55 C ATOM 884 CG ASN A 65 -8.028 9.526 -18.204 1.00 2.13 C ATOM 885 OD1 ASN A 65 -8.239 10.340 -17.308 1.00 3.15 O ATOM 886 ND2 ASN A 65 -7.419 9.861 -19.317 1.00 54.23 N ATOM 0 H ASN A 65 -10.796 8.360 -16.769 1.00 13.54 H new ATOM 0 HA ASN A 65 -9.953 8.134 -19.599 1.00 4.44 H new ATOM 0 HB2 ASN A 65 -8.387 7.787 -17.012 1.00 13.55 H new ATOM 0 HB3 ASN A 65 -7.759 7.444 -18.612 1.00 13.55 H new ATOM 0 HD21 ASN A 65 -7.105 10.821 -19.458 1.00 54.23 H new ATOM 0 HD22 ASN A 65 -7.259 9.161 -20.041 1.00 54.23 H new ATOM 893 N GLY A 66 -11.391 6.044 -18.114 1.00 53.30 N ATOM 894 CA GLY A 66 -11.795 4.690 -17.997 1.00 33.43 C ATOM 895 C GLY A 66 -11.401 4.066 -16.682 1.00 51.24 C ATOM 896 O GLY A 66 -11.014 2.896 -16.649 1.00 44.53 O ATOM 0 H GLY A 66 -12.112 6.729 -17.887 1.00 53.30 H new ATOM 0 HA2 GLY A 66 -12.877 4.629 -18.111 1.00 33.43 H new ATOM 0 HA3 GLY A 66 -11.355 4.114 -18.812 1.00 33.43 H new ATOM 900 N TYR A 67 -11.466 4.830 -15.590 1.00 43.41 N ATOM 901 CA TYR A 67 -11.247 4.236 -14.281 1.00 44.04 C ATOM 902 C TYR A 67 -12.442 3.462 -13.890 1.00 22.10 C ATOM 903 O TYR A 67 -13.532 3.640 -14.471 1.00 45.31 O ATOM 904 CB TYR A 67 -10.795 5.214 -13.206 1.00 74.51 C ATOM 905 CG TYR A 67 -9.365 5.591 -13.370 1.00 21.53 C ATOM 906 CD1 TYR A 67 -8.929 6.335 -14.458 1.00 22.22 C ATOM 907 CD2 TYR A 67 -8.443 5.152 -12.470 1.00 22.54 C ATOM 908 CE1 TYR A 67 -7.595 6.615 -14.634 1.00 62.12 C ATOM 909 CE2 TYR A 67 -7.117 5.437 -12.625 1.00 31.52 C ATOM 910 CZ TYR A 67 -6.691 6.162 -13.711 1.00 62.12 C ATOM 911 OH TYR A 67 -5.352 6.413 -13.885 1.00 15.23 O ATOM 0 H TYR A 67 -11.663 5.831 -15.588 1.00 43.41 H new ATOM 0 HA TYR A 67 -10.397 3.560 -14.372 1.00 44.04 H new ATOM 0 HB2 TYR A 67 -11.414 6.110 -13.246 1.00 74.51 H new ATOM 0 HB3 TYR A 67 -10.943 4.768 -12.223 1.00 74.51 H new ATOM 0 HD1 TYR A 67 -9.648 6.699 -15.176 1.00 22.22 H new ATOM 0 HD2 TYR A 67 -8.766 4.569 -11.620 1.00 22.54 H new ATOM 0 HE1 TYR A 67 -7.264 7.185 -15.489 1.00 62.12 H new ATOM 0 HE2 TYR A 67 -6.402 5.092 -11.893 1.00 31.52 H new ATOM 0 HH TYR A 67 -4.847 6.024 -13.141 1.00 15.23 H new ATOM 921 N ARG A 68 -12.299 2.638 -12.918 1.00 0.34 N ATOM 922 CA ARG A 68 -13.291 1.605 -12.743 1.00 74.44 C ATOM 923 C ARG A 68 -13.761 1.483 -11.341 1.00 4.30 C ATOM 924 O ARG A 68 -12.985 1.092 -10.473 1.00 61.30 O ATOM 925 CB ARG A 68 -12.716 0.248 -13.201 1.00 11.21 C ATOM 926 CG ARG A 68 -12.148 0.229 -14.609 1.00 51.10 C ATOM 927 CD ARG A 68 -13.217 0.470 -15.624 1.00 33.22 C ATOM 928 NE ARG A 68 -12.670 0.666 -16.972 1.00 72.11 N ATOM 929 CZ ARG A 68 -13.365 0.583 -18.113 1.00 64.25 C ATOM 930 NH1 ARG A 68 -14.666 0.286 -18.094 1.00 51.22 N1+ ATOM 931 NH2 ARG A 68 -12.752 0.826 -19.279 1.00 33.41 N ATOM 0 H ARG A 68 -11.535 2.643 -12.242 1.00 0.34 H new ATOM 0 HA ARG A 68 -14.150 1.889 -13.352 1.00 74.44 H new ATOM 0 HB2 ARG A 68 -11.931 -0.049 -12.506 1.00 11.21 H new ATOM 0 HB3 ARG A 68 -13.503 -0.503 -13.134 1.00 11.21 H new ATOM 0 HG2 ARG A 68 -11.375 0.992 -14.703 1.00 51.10 H new ATOM 0 HG3 ARG A 68 -11.672 -0.733 -14.799 1.00 51.10 H new ATOM 0 HD2 ARG A 68 -13.904 -0.376 -15.633 1.00 33.22 H new ATOM 0 HD3 ARG A 68 -13.796 1.348 -15.338 1.00 33.22 H new ATOM 0 HE ARG A 68 -11.676 0.884 -17.045 1.00 72.11 H new ATOM 0 HH11 ARG A 68 -15.138 0.120 -17.205 1.00 51.22 H new ATOM 0 HH12 ARG A 68 -15.188 0.225 -18.968 1.00 51.22 H new ATOM 0 HH21 ARG A 68 -11.762 1.072 -19.293 1.00 33.41 H new ATOM 0 HH22 ARG A 68 -13.275 0.765 -20.153 1.00 33.41 H new ATOM 945 N LEU A 69 -14.984 1.929 -11.105 1.00 25.25 N ATOM 946 CA LEU A 69 -15.683 1.604 -9.873 1.00 15.23 C ATOM 947 C LEU A 69 -17.135 1.963 -9.946 1.00 4.45 C ATOM 948 O LEU A 69 -17.538 2.841 -10.722 1.00 62.22 O ATOM 949 CB LEU A 69 -14.999 2.132 -8.571 1.00 74.21 C ATOM 950 CG LEU A 69 -14.673 3.627 -8.440 1.00 34.24 C ATOM 951 CD1 LEU A 69 -15.922 4.487 -8.278 1.00 31.25 C ATOM 952 CD2 LEU A 69 -13.727 3.831 -7.276 1.00 12.22 C ATOM 0 H LEU A 69 -15.513 2.517 -11.750 1.00 25.25 H new ATOM 0 HA LEU A 69 -15.614 0.520 -9.787 1.00 15.23 H new ATOM 0 HB2 LEU A 69 -15.642 1.863 -7.733 1.00 74.21 H new ATOM 0 HB3 LEU A 69 -14.066 1.582 -8.446 1.00 74.21 H new ATOM 0 HG LEU A 69 -14.197 3.949 -9.366 1.00 34.24 H new ATOM 0 HD11 LEU A 69 -15.634 5.534 -8.190 1.00 31.25 H new ATOM 0 HD12 LEU A 69 -16.566 4.360 -9.148 1.00 31.25 H new ATOM 0 HD13 LEU A 69 -16.460 4.182 -7.380 1.00 31.25 H new ATOM 0 HD21 LEU A 69 -13.493 4.891 -7.179 1.00 12.22 H new ATOM 0 HD22 LEU A 69 -14.198 3.478 -6.358 1.00 12.22 H new ATOM 0 HD23 LEU A 69 -12.808 3.271 -7.451 1.00 12.22 H new ATOM 964 N THR A 70 -17.920 1.281 -9.193 1.00 61.12 N ATOM 965 CA THR A 70 -19.282 1.611 -9.060 1.00 55.33 C ATOM 966 C THR A 70 -19.432 2.464 -7.802 1.00 3.01 C ATOM 967 O THR A 70 -18.733 2.256 -6.821 1.00 42.44 O ATOM 968 CB THR A 70 -20.161 0.342 -9.056 1.00 40.41 C ATOM 969 OG1 THR A 70 -19.497 -0.704 -8.348 1.00 12.32 O ATOM 970 CG2 THR A 70 -20.453 -0.116 -10.478 1.00 3.11 C ATOM 0 H THR A 70 -17.626 0.470 -8.648 1.00 61.12 H new ATOM 0 HA THR A 70 -19.632 2.192 -9.913 1.00 55.33 H new ATOM 0 HB THR A 70 -21.104 0.579 -8.563 1.00 40.41 H new ATOM 0 HG1 THR A 70 -20.059 -1.507 -8.347 1.00 12.32 H new ATOM 0 HG21 THR A 70 -21.074 -1.012 -10.452 1.00 3.11 H new ATOM 0 HG22 THR A 70 -20.979 0.674 -11.014 1.00 3.11 H new ATOM 0 HG23 THR A 70 -19.516 -0.339 -10.988 1.00 3.11 H new ATOM 978 N LEU A 71 -20.300 3.441 -7.841 1.00 65.11 N ATOM 979 CA LEU A 71 -20.386 4.419 -6.757 1.00 65.31 C ATOM 980 C LEU A 71 -20.981 3.839 -5.488 1.00 35.15 C ATOM 981 O LEU A 71 -20.730 4.348 -4.403 1.00 61.43 O ATOM 982 CB LEU A 71 -21.183 5.605 -7.179 1.00 1.21 C ATOM 983 CG LEU A 71 -21.055 6.849 -6.325 1.00 4.14 C ATOM 984 CD1 LEU A 71 -19.626 7.280 -6.309 1.00 51.11 C ATOM 985 CD2 LEU A 71 -21.946 7.949 -6.860 1.00 42.41 C ATOM 0 H LEU A 71 -20.961 3.591 -8.603 1.00 65.11 H new ATOM 0 HA LEU A 71 -19.362 4.720 -6.536 1.00 65.31 H new ATOM 0 HB2 LEU A 71 -20.897 5.862 -8.199 1.00 1.21 H new ATOM 0 HB3 LEU A 71 -22.234 5.317 -7.205 1.00 1.21 H new ATOM 0 HG LEU A 71 -21.374 6.631 -5.306 1.00 4.14 H new ATOM 0 HD11 LEU A 71 -19.523 8.176 -5.696 1.00 51.11 H new ATOM 0 HD12 LEU A 71 -19.010 6.483 -5.893 1.00 51.11 H new ATOM 0 HD13 LEU A 71 -19.300 7.497 -7.326 1.00 51.11 H new ATOM 0 HD21 LEU A 71 -21.843 8.837 -6.236 1.00 42.41 H new ATOM 0 HD22 LEU A 71 -21.654 8.189 -7.882 1.00 42.41 H new ATOM 0 HD23 LEU A 71 -22.984 7.615 -6.848 1.00 42.41 H new ATOM 997 N ARG A 72 -21.772 2.763 -5.631 1.00 2.02 N ATOM 998 CA ARG A 72 -22.445 2.102 -4.480 1.00 13.34 C ATOM 999 C ARG A 72 -21.401 1.744 -3.444 1.00 50.01 C ATOM 1000 O ARG A 72 -21.644 1.779 -2.242 1.00 24.22 O ATOM 1001 CB ARG A 72 -23.036 0.747 -4.870 1.00 2.11 C ATOM 1002 CG ARG A 72 -23.647 0.601 -6.243 1.00 34.43 C ATOM 1003 CD ARG A 72 -24.034 -0.866 -6.468 1.00 62.20 C ATOM 1004 NE ARG A 72 -22.908 -1.784 -6.153 1.00 31.50 N ATOM 1005 CZ ARG A 72 -22.817 -3.085 -6.437 1.00 14.33 C ATOM 1006 NH1 ARG A 72 -23.789 -3.706 -7.122 1.00 30.15 N1+ ATOM 1007 NH2 ARG A 72 -21.742 -3.761 -6.023 1.00 15.23 N ATOM 0 H ARG A 72 -21.967 2.325 -6.531 1.00 2.02 H new ATOM 0 HA ARG A 72 -23.213 2.792 -4.130 1.00 13.34 H new ATOM 0 HB2 ARG A 72 -22.247 0.001 -4.776 1.00 2.11 H new ATOM 0 HB3 ARG A 72 -23.802 0.495 -4.137 1.00 2.11 H new ATOM 0 HG2 ARG A 72 -24.526 1.240 -6.333 1.00 34.43 H new ATOM 0 HG3 ARG A 72 -22.939 0.924 -7.006 1.00 34.43 H new ATOM 0 HD2 ARG A 72 -24.893 -1.116 -5.845 1.00 62.20 H new ATOM 0 HD3 ARG A 72 -24.340 -1.007 -7.505 1.00 62.20 H new ATOM 0 HE ARG A 72 -22.113 -1.372 -5.663 1.00 31.50 H new ATOM 0 HH11 ARG A 72 -24.608 -3.184 -7.432 1.00 30.15 H new ATOM 0 HH12 ARG A 72 -23.709 -4.701 -7.333 1.00 30.15 H new ATOM 0 HH21 ARG A 72 -21.009 -3.282 -5.500 1.00 15.23 H new ATOM 0 HH22 ARG A 72 -21.654 -4.756 -6.230 1.00 15.23 H new ATOM 1021 N GLU A 73 -20.216 1.480 -3.947 1.00 41.44 N ATOM 1022 CA GLU A 73 -19.161 0.908 -3.154 1.00 54.03 C ATOM 1023 C GLU A 73 -18.557 1.973 -2.245 1.00 13.10 C ATOM 1024 O GLU A 73 -18.035 1.680 -1.168 1.00 45.20 O ATOM 1025 CB GLU A 73 -18.098 0.300 -4.055 1.00 72.45 C ATOM 1026 CG GLU A 73 -18.692 -0.436 -5.239 1.00 24.10 C ATOM 1027 CD GLU A 73 -19.573 -1.639 -4.955 1.00 73.13 C ATOM 1028 OE1 GLU A 73 -20.751 -1.444 -4.638 1.00 3.02 O ATOM 1029 OE2 GLU A 73 -19.144 -2.791 -5.184 1.00 55.21 O1- ATOM 0 H GLU A 73 -19.960 1.657 -4.918 1.00 41.44 H new ATOM 0 HA GLU A 73 -19.573 0.115 -2.530 1.00 54.03 H new ATOM 0 HB2 GLU A 73 -17.438 1.089 -4.416 1.00 72.45 H new ATOM 0 HB3 GLU A 73 -17.484 -0.389 -3.474 1.00 72.45 H new ATOM 0 HG2 GLU A 73 -19.277 0.278 -5.818 1.00 24.10 H new ATOM 0 HG3 GLU A 73 -17.870 -0.765 -5.875 1.00 24.10 H new ATOM 1036 N LEU A 74 -18.696 3.229 -2.674 1.00 22.42 N ATOM 1037 CA LEU A 74 -18.179 4.367 -1.933 1.00 20.31 C ATOM 1038 C LEU A 74 -19.153 4.733 -0.828 1.00 0.25 C ATOM 1039 O LEU A 74 -18.815 5.462 0.091 1.00 51.34 O ATOM 1040 CB LEU A 74 -17.912 5.575 -2.859 1.00 4.21 C ATOM 1041 CG LEU A 74 -17.009 5.313 -4.085 1.00 40.20 C ATOM 1042 CD1 LEU A 74 -16.625 6.610 -4.773 1.00 40.33 C ATOM 1043 CD2 LEU A 74 -15.767 4.540 -3.701 1.00 5.05 C ATOM 0 H LEU A 74 -19.169 3.479 -3.542 1.00 22.42 H new ATOM 0 HA LEU A 74 -17.222 4.089 -1.491 1.00 20.31 H new ATOM 0 HB2 LEU A 74 -18.871 5.951 -3.215 1.00 4.21 H new ATOM 0 HB3 LEU A 74 -17.459 6.368 -2.264 1.00 4.21 H new ATOM 0 HG LEU A 74 -17.586 4.708 -4.785 1.00 40.20 H new ATOM 0 HD11 LEU A 74 -15.990 6.392 -5.632 1.00 40.33 H new ATOM 0 HD12 LEU A 74 -17.526 7.124 -5.109 1.00 40.33 H new ATOM 0 HD13 LEU A 74 -16.084 7.247 -4.073 1.00 40.33 H new ATOM 0 HD21 LEU A 74 -15.154 4.373 -4.587 1.00 5.05 H new ATOM 0 HD22 LEU A 74 -15.197 5.109 -2.967 1.00 5.05 H new ATOM 0 HD23 LEU A 74 -16.054 3.580 -3.272 1.00 5.05 H new ATOM 1055 N TYR A 75 -20.384 4.244 -0.959 1.00 44.41 N ATOM 1056 CA TYR A 75 -21.376 4.372 0.098 1.00 73.13 C ATOM 1057 C TYR A 75 -21.153 3.267 1.116 1.00 74.24 C ATOM 1058 O TYR A 75 -21.277 3.481 2.314 1.00 11.31 O ATOM 1059 CB TYR A 75 -22.806 4.234 -0.430 1.00 34.32 C ATOM 1060 CG TYR A 75 -23.361 5.380 -1.237 1.00 33.44 C ATOM 1061 CD1 TYR A 75 -23.270 5.405 -2.620 1.00 2.15 C ATOM 1062 CD2 TYR A 75 -24.034 6.414 -0.603 1.00 21.34 C ATOM 1063 CE1 TYR A 75 -23.836 6.430 -3.352 1.00 61.53 C ATOM 1064 CE2 TYR A 75 -24.593 7.447 -1.319 1.00 31.54 C ATOM 1065 CZ TYR A 75 -24.495 7.451 -2.695 1.00 73.32 C ATOM 1066 OH TYR A 75 -25.078 8.462 -3.415 1.00 32.22 O ATOM 0 H TYR A 75 -20.716 3.755 -1.790 1.00 44.41 H new ATOM 0 HA TYR A 75 -21.260 5.363 0.537 1.00 73.13 H new ATOM 0 HB2 TYR A 75 -22.853 3.335 -1.045 1.00 34.32 H new ATOM 0 HB3 TYR A 75 -23.466 4.072 0.422 1.00 34.32 H new ATOM 0 HD1 TYR A 75 -22.748 4.611 -3.133 1.00 2.15 H new ATOM 0 HD2 TYR A 75 -24.121 6.408 0.473 1.00 21.34 H new ATOM 0 HE1 TYR A 75 -23.764 6.433 -4.430 1.00 61.53 H new ATOM 0 HE2 TYR A 75 -25.105 8.249 -0.808 1.00 31.54 H new ATOM 0 HH TYR A 75 -25.350 9.182 -2.808 1.00 32.22 H new ATOM 1076 N ALA A 76 -20.846 2.073 0.602 1.00 43.12 N ATOM 1077 CA ALA A 76 -20.613 0.891 1.423 1.00 21.14 C ATOM 1078 C ALA A 76 -19.409 1.091 2.326 1.00 44.14 C ATOM 1079 O ALA A 76 -19.467 0.826 3.525 1.00 1.33 O ATOM 1080 CB ALA A 76 -20.430 -0.339 0.544 1.00 34.43 C ATOM 0 H ALA A 76 -20.753 1.903 -0.399 1.00 43.12 H new ATOM 0 HA ALA A 76 -21.487 0.735 2.056 1.00 21.14 H new ATOM 0 HB1 ALA A 76 -20.257 -1.213 1.172 1.00 34.43 H new ATOM 0 HB2 ALA A 76 -21.327 -0.495 -0.055 1.00 34.43 H new ATOM 0 HB3 ALA A 76 -19.575 -0.191 -0.115 1.00 34.43 H new ATOM 1086 N ALA A 77 -18.324 1.549 1.753 1.00 30.04 N ATOM 1087 CA ALA A 77 -17.155 1.858 2.526 1.00 51.54 C ATOM 1088 C ALA A 77 -16.727 3.285 2.244 1.00 73.11 C ATOM 1089 O ALA A 77 -15.889 3.538 1.368 1.00 11.43 O ATOM 1090 CB ALA A 77 -16.021 0.876 2.255 1.00 34.40 C ATOM 0 H ALA A 77 -18.229 1.715 0.751 1.00 30.04 H new ATOM 0 HA ALA A 77 -17.403 1.762 3.583 1.00 51.54 H new ATOM 0 HB1 ALA A 77 -15.155 1.145 2.859 1.00 34.40 H new ATOM 0 HB2 ALA A 77 -16.344 -0.133 2.512 1.00 34.40 H new ATOM 0 HB3 ALA A 77 -15.752 0.913 1.199 1.00 34.40 H new ATOM 1096 N PRO A 78 -17.314 4.260 2.937 1.00 71.24 N ATOM 1097 CA PRO A 78 -17.002 5.623 2.691 1.00 44.23 C ATOM 1098 C PRO A 78 -15.812 6.083 3.497 1.00 43.33 C ATOM 1099 O PRO A 78 -15.949 6.618 4.590 1.00 61.24 O ATOM 1100 CB PRO A 78 -18.267 6.372 3.113 1.00 53.31 C ATOM 1101 CG PRO A 78 -19.047 5.426 3.989 1.00 23.41 C ATOM 1102 CD PRO A 78 -18.316 4.105 3.997 1.00 71.41 C ATOM 0 HA PRO A 78 -16.729 5.798 1.650 1.00 44.23 H new ATOM 0 HB2 PRO A 78 -18.016 7.285 3.653 1.00 53.31 H new ATOM 0 HB3 PRO A 78 -18.852 6.668 2.242 1.00 53.31 H new ATOM 0 HG2 PRO A 78 -19.132 5.823 5.001 1.00 23.41 H new ATOM 0 HG3 PRO A 78 -20.061 5.300 3.609 1.00 23.41 H new ATOM 0 HD2 PRO A 78 -17.851 3.910 4.963 1.00 71.41 H new ATOM 0 HD3 PRO A 78 -18.990 3.273 3.794 1.00 71.41 H new ATOM 1110 N THR A 79 -14.655 5.861 2.944 1.00 73.24 N ATOM 1111 CA THR A 79 -13.395 6.263 3.512 1.00 32.33 C ATOM 1112 C THR A 79 -12.449 6.463 2.382 1.00 72.20 C ATOM 1113 O THR A 79 -12.524 5.728 1.402 1.00 71.14 O ATOM 1114 CB THR A 79 -12.817 5.194 4.469 1.00 33.43 C ATOM 1115 OG1 THR A 79 -12.943 3.896 3.880 1.00 63.45 O ATOM 1116 CG2 THR A 79 -13.505 5.226 5.808 1.00 34.25 C ATOM 0 H THR A 79 -14.556 5.377 2.052 1.00 73.24 H new ATOM 0 HA THR A 79 -13.541 7.172 4.095 1.00 32.33 H new ATOM 0 HB THR A 79 -11.763 5.418 4.631 1.00 33.43 H new ATOM 0 HG1 THR A 79 -12.574 3.223 4.489 1.00 63.45 H new ATOM 0 HG21 THR A 79 -13.075 4.463 6.456 1.00 34.25 H new ATOM 0 HG22 THR A 79 -13.370 6.207 6.263 1.00 34.25 H new ATOM 0 HG23 THR A 79 -14.569 5.032 5.675 1.00 34.25 H new ATOM 1124 N LEU A 80 -11.586 7.434 2.501 1.00 2.14 N ATOM 1125 CA LEU A 80 -10.641 7.786 1.451 1.00 5.43 C ATOM 1126 C LEU A 80 -9.870 6.549 0.986 1.00 63.10 C ATOM 1127 O LEU A 80 -9.818 6.259 -0.220 1.00 40.54 O ATOM 1128 CB LEU A 80 -9.694 8.850 2.004 1.00 53.54 C ATOM 1129 CG LEU A 80 -8.722 9.585 1.038 1.00 33.14 C ATOM 1130 CD1 LEU A 80 -7.671 8.668 0.409 1.00 1.41 C ATOM 1131 CD2 LEU A 80 -9.496 10.325 -0.025 1.00 15.04 C ATOM 0 H LEU A 80 -11.510 8.016 3.335 1.00 2.14 H new ATOM 0 HA LEU A 80 -11.170 8.180 0.583 1.00 5.43 H new ATOM 0 HB2 LEU A 80 -10.305 9.609 2.493 1.00 53.54 H new ATOM 0 HB3 LEU A 80 -9.090 8.379 2.779 1.00 53.54 H new ATOM 0 HG LEU A 80 -8.167 10.300 1.646 1.00 33.14 H new ATOM 0 HD11 LEU A 80 -7.029 9.250 -0.252 1.00 1.41 H new ATOM 0 HD12 LEU A 80 -7.067 8.215 1.195 1.00 1.41 H new ATOM 0 HD13 LEU A 80 -8.167 7.885 -0.164 1.00 1.41 H new ATOM 0 HD21 LEU A 80 -8.801 10.834 -0.693 1.00 15.04 H new ATOM 0 HD22 LEU A 80 -10.097 9.617 -0.597 1.00 15.04 H new ATOM 0 HD23 LEU A 80 -10.150 11.059 0.446 1.00 15.04 H new ATOM 1143 N ALA A 81 -9.307 5.824 1.954 1.00 51.53 N ATOM 1144 CA ALA A 81 -8.522 4.624 1.699 1.00 45.10 C ATOM 1145 C ALA A 81 -9.270 3.639 0.816 1.00 32.44 C ATOM 1146 O ALA A 81 -8.686 3.066 -0.105 1.00 62.52 O ATOM 1147 CB ALA A 81 -8.123 3.961 3.009 1.00 11.34 C ATOM 0 H ALA A 81 -9.386 6.058 2.944 1.00 51.53 H new ATOM 0 HA ALA A 81 -7.621 4.929 1.166 1.00 45.10 H new ATOM 0 HB1 ALA A 81 -7.537 3.066 2.800 1.00 11.34 H new ATOM 0 HB2 ALA A 81 -7.527 4.655 3.601 1.00 11.34 H new ATOM 0 HB3 ALA A 81 -9.019 3.686 3.565 1.00 11.34 H new ATOM 1153 N ALA A 82 -10.568 3.498 1.055 1.00 23.04 N ATOM 1154 CA ALA A 82 -11.379 2.576 0.297 1.00 3.50 C ATOM 1155 C ALA A 82 -11.547 3.040 -1.138 1.00 1.15 C ATOM 1156 O ALA A 82 -11.298 2.277 -2.042 1.00 24.32 O ATOM 1157 CB ALA A 82 -12.727 2.344 0.946 1.00 20.12 C ATOM 0 H ALA A 82 -11.076 4.016 1.772 1.00 23.04 H new ATOM 0 HA ALA A 82 -10.850 1.623 0.287 1.00 3.50 H new ATOM 0 HB1 ALA A 82 -13.305 1.644 0.343 1.00 20.12 H new ATOM 0 HB2 ALA A 82 -12.584 1.931 1.944 1.00 20.12 H new ATOM 0 HB3 ALA A 82 -13.264 3.290 1.018 1.00 20.12 H new ATOM 1163 N TRP A 83 -11.925 4.313 -1.347 1.00 5.12 N ATOM 1164 CA TRP A 83 -12.132 4.838 -2.723 1.00 73.24 C ATOM 1165 C TRP A 83 -10.829 4.671 -3.514 1.00 72.14 C ATOM 1166 O TRP A 83 -10.824 4.256 -4.678 1.00 44.32 O ATOM 1167 CB TRP A 83 -12.477 6.344 -2.751 1.00 61.45 C ATOM 1168 CG TRP A 83 -13.656 6.844 -1.960 1.00 61.35 C ATOM 1169 CD1 TRP A 83 -14.194 6.344 -0.822 1.00 53.34 C ATOM 1170 CD2 TRP A 83 -14.392 8.023 -2.261 1.00 64.00 C ATOM 1171 NE1 TRP A 83 -15.265 7.104 -0.431 1.00 63.23 N ATOM 1172 CE2 TRP A 83 -15.400 8.147 -1.296 1.00 65.43 C ATOM 1173 CE3 TRP A 83 -14.303 8.978 -3.273 1.00 72.05 C ATOM 1174 CZ2 TRP A 83 -16.313 9.191 -1.308 1.00 14.34 C ATOM 1175 CZ3 TRP A 83 -15.202 10.011 -3.283 1.00 3.33 C ATOM 1176 CH2 TRP A 83 -16.194 10.112 -2.309 1.00 64.11 C ATOM 0 H TRP A 83 -12.092 4.991 -0.603 1.00 5.12 H new ATOM 0 HA TRP A 83 -12.966 4.280 -3.149 1.00 73.24 H new ATOM 0 HB2 TRP A 83 -11.597 6.888 -2.407 1.00 61.45 H new ATOM 0 HB3 TRP A 83 -12.638 6.624 -3.792 1.00 61.45 H new ATOM 0 HD1 TRP A 83 -13.831 5.472 -0.298 1.00 53.34 H new ATOM 0 HE1 TRP A 83 -15.862 6.919 0.375 1.00 63.23 H new ATOM 0 HE3 TRP A 83 -13.540 8.905 -4.034 1.00 72.05 H new ATOM 0 HZ2 TRP A 83 -17.085 9.272 -0.557 1.00 14.34 H new ATOM 0 HZ3 TRP A 83 -15.141 10.760 -4.059 1.00 3.33 H new ATOM 0 HH2 TRP A 83 -16.886 10.940 -2.347 1.00 64.11 H new ATOM 1187 N ASN A 84 -9.731 4.982 -2.836 1.00 1.21 N ATOM 1188 CA ASN A 84 -8.387 4.894 -3.389 1.00 74.45 C ATOM 1189 C ASN A 84 -8.031 3.453 -3.750 1.00 54.41 C ATOM 1190 O ASN A 84 -7.603 3.170 -4.873 1.00 24.13 O ATOM 1191 CB ASN A 84 -7.373 5.460 -2.373 1.00 73.52 C ATOM 1192 CG ASN A 84 -5.922 5.346 -2.819 1.00 70.03 C ATOM 1193 OD1 ASN A 84 -5.396 6.221 -3.489 1.00 63.43 O ATOM 1194 ND2 ASN A 84 -5.256 4.287 -2.412 1.00 53.32 N ATOM 0 H ASN A 84 -9.751 5.308 -1.870 1.00 1.21 H new ATOM 0 HA ASN A 84 -8.349 5.483 -4.305 1.00 74.45 H new ATOM 0 HB2 ASN A 84 -7.605 6.509 -2.190 1.00 73.52 H new ATOM 0 HB3 ASN A 84 -7.493 4.936 -1.425 1.00 73.52 H new ATOM 0 HD21 ASN A 84 -4.271 4.179 -2.655 1.00 53.32 H new ATOM 0 HD22 ASN A 84 -5.724 3.574 -1.853 1.00 53.32 H new ATOM 1201 N GLN A 85 -8.241 2.534 -2.809 1.00 62.41 N ATOM 1202 CA GLN A 85 -7.905 1.131 -3.023 1.00 41.43 C ATOM 1203 C GLN A 85 -8.827 0.528 -4.047 1.00 12.11 C ATOM 1204 O GLN A 85 -8.437 -0.393 -4.722 1.00 12.30 O ATOM 1205 CB GLN A 85 -7.972 0.307 -1.715 1.00 33.24 C ATOM 1206 CG GLN A 85 -9.374 -0.096 -1.287 1.00 10.21 C ATOM 1207 CD GLN A 85 -9.389 -0.920 -0.028 1.00 52.12 C ATOM 1208 OE1 GLN A 85 -9.470 -0.397 1.068 1.00 43.24 O ATOM 1209 NE2 GLN A 85 -9.315 -2.220 -0.181 1.00 63.34 N ATOM 0 H GLN A 85 -8.642 2.737 -1.893 1.00 62.41 H new ATOM 0 HA GLN A 85 -6.877 1.098 -3.384 1.00 41.43 H new ATOM 0 HB2 GLN A 85 -7.372 -0.594 -1.839 1.00 33.24 H new ATOM 0 HB3 GLN A 85 -7.515 0.887 -0.913 1.00 33.24 H new ATOM 0 HG2 GLN A 85 -9.974 0.801 -1.135 1.00 10.21 H new ATOM 0 HG3 GLN A 85 -9.845 -0.662 -2.091 1.00 10.21 H new ATOM 0 HE21 GLN A 85 -9.248 -2.620 -1.117 1.00 63.34 H new ATOM 0 HE22 GLN A 85 -9.324 -2.831 0.636 1.00 63.34 H new ATOM 1218 N LEU A 86 -10.050 1.054 -4.166 1.00 70.32 N ATOM 1219 CA LEU A 86 -11.008 0.540 -5.115 1.00 72.25 C ATOM 1220 C LEU A 86 -10.534 0.648 -6.531 1.00 54.31 C ATOM 1221 O LEU A 86 -10.765 -0.253 -7.297 1.00 41.43 O ATOM 1222 CB LEU A 86 -12.406 1.103 -4.917 1.00 23.12 C ATOM 1223 CG LEU A 86 -13.113 0.626 -3.639 1.00 52.11 C ATOM 1224 CD1 LEU A 86 -14.458 1.261 -3.513 1.00 61.41 C ATOM 1225 CD2 LEU A 86 -13.243 -0.893 -3.604 1.00 31.21 C ATOM 0 H LEU A 86 -10.389 1.838 -3.609 1.00 70.32 H new ATOM 0 HA LEU A 86 -11.089 -0.526 -4.904 1.00 72.25 H new ATOM 0 HB2 LEU A 86 -12.346 2.191 -4.899 1.00 23.12 H new ATOM 0 HB3 LEU A 86 -13.018 0.832 -5.778 1.00 23.12 H new ATOM 0 HG LEU A 86 -12.498 0.930 -2.792 1.00 52.11 H new ATOM 0 HD11 LEU A 86 -14.942 0.910 -2.602 1.00 61.41 H new ATOM 0 HD12 LEU A 86 -14.346 2.344 -3.470 1.00 61.41 H new ATOM 0 HD13 LEU A 86 -15.069 0.993 -4.375 1.00 61.41 H new ATOM 0 HD21 LEU A 86 -13.748 -1.194 -2.686 1.00 31.21 H new ATOM 0 HD22 LEU A 86 -13.823 -1.228 -4.464 1.00 31.21 H new ATOM 0 HD23 LEU A 86 -12.251 -1.344 -3.637 1.00 31.21 H new ATOM 1237 N MET A 87 -9.794 1.711 -6.859 1.00 32.02 N ATOM 1238 CA MET A 87 -9.181 1.826 -8.200 1.00 62.45 C ATOM 1239 C MET A 87 -8.357 0.582 -8.519 1.00 64.01 C ATOM 1240 O MET A 87 -8.324 0.110 -9.651 1.00 21.13 O ATOM 1241 CB MET A 87 -8.279 3.055 -8.314 1.00 53.45 C ATOM 1242 CG MET A 87 -8.996 4.367 -8.547 1.00 74.30 C ATOM 1243 SD MET A 87 -7.821 5.708 -8.802 1.00 43.04 S ATOM 1244 CE MET A 87 -8.881 7.018 -9.389 1.00 71.21 C ATOM 0 H MET A 87 -9.603 2.494 -6.234 1.00 32.02 H new ATOM 0 HA MET A 87 -9.999 1.928 -8.913 1.00 62.45 H new ATOM 0 HB2 MET A 87 -7.691 3.139 -7.400 1.00 53.45 H new ATOM 0 HB3 MET A 87 -7.576 2.894 -9.132 1.00 53.45 H new ATOM 0 HG2 MET A 87 -9.648 4.280 -9.416 1.00 74.30 H new ATOM 0 HG3 MET A 87 -9.633 4.594 -7.692 1.00 74.30 H new ATOM 0 HE1 MET A 87 -8.272 7.814 -9.818 1.00 71.21 H new ATOM 0 HE2 MET A 87 -9.556 6.627 -10.150 1.00 71.21 H new ATOM 0 HE3 MET A 87 -9.463 7.415 -8.558 1.00 71.21 H new ATOM 1254 N LEU A 88 -7.695 0.065 -7.508 1.00 22.13 N ATOM 1255 CA LEU A 88 -6.898 -1.143 -7.656 1.00 63.14 C ATOM 1256 C LEU A 88 -7.711 -2.423 -7.410 1.00 35.10 C ATOM 1257 O LEU A 88 -7.576 -3.399 -8.146 1.00 32.21 O ATOM 1258 CB LEU A 88 -5.664 -1.120 -6.721 1.00 21.10 C ATOM 1259 CG LEU A 88 -4.671 0.041 -6.874 1.00 22.24 C ATOM 1260 CD1 LEU A 88 -4.507 0.455 -8.310 1.00 44.34 C ATOM 1261 CD2 LEU A 88 -5.047 1.205 -5.984 1.00 74.52 C ATOM 0 H LEU A 88 -7.690 0.461 -6.568 1.00 22.13 H new ATOM 0 HA LEU A 88 -6.562 -1.157 -8.693 1.00 63.14 H new ATOM 0 HB2 LEU A 88 -6.024 -1.120 -5.692 1.00 21.10 H new ATOM 0 HB3 LEU A 88 -5.116 -2.051 -6.867 1.00 21.10 H new ATOM 0 HG LEU A 88 -3.696 -0.317 -6.543 1.00 22.24 H new ATOM 0 HD11 LEU A 88 -3.796 1.279 -8.372 1.00 44.34 H new ATOM 0 HD12 LEU A 88 -4.136 -0.389 -8.892 1.00 44.34 H new ATOM 0 HD13 LEU A 88 -5.470 0.776 -8.708 1.00 44.34 H new ATOM 0 HD21 LEU A 88 -4.325 2.011 -6.115 1.00 74.52 H new ATOM 0 HD22 LEU A 88 -6.042 1.561 -6.252 1.00 74.52 H new ATOM 0 HD23 LEU A 88 -5.046 0.882 -4.943 1.00 74.52 H new ATOM 1273 N SER A 89 -8.550 -2.397 -6.395 1.00 50.32 N ATOM 1274 CA SER A 89 -9.306 -3.568 -5.958 1.00 41.43 C ATOM 1275 C SER A 89 -10.382 -3.965 -6.962 1.00 73.55 C ATOM 1276 O SER A 89 -10.822 -5.102 -6.972 1.00 73.15 O ATOM 1277 CB SER A 89 -9.937 -3.316 -4.581 1.00 3.22 C ATOM 1278 OG SER A 89 -8.957 -2.891 -3.633 1.00 44.10 O ATOM 0 H SER A 89 -8.733 -1.560 -5.842 1.00 50.32 H new ATOM 0 HA SER A 89 -8.602 -4.397 -5.886 1.00 41.43 H new ATOM 0 HB2 SER A 89 -10.715 -2.558 -4.668 1.00 3.22 H new ATOM 0 HB3 SER A 89 -10.418 -4.227 -4.226 1.00 3.22 H new ATOM 0 HG SER A 89 -8.644 -1.992 -3.867 1.00 44.10 H new ATOM 1284 N ARG A 90 -10.821 -3.021 -7.775 1.00 33.35 N ATOM 1285 CA ARG A 90 -11.797 -3.334 -8.788 1.00 35.34 C ATOM 1286 C ARG A 90 -11.112 -3.946 -9.966 1.00 33.04 C ATOM 1287 O ARG A 90 -11.329 -5.096 -10.268 1.00 4.33 O ATOM 1288 CB ARG A 90 -12.585 -2.096 -9.248 1.00 71.43 C ATOM 1289 CG ARG A 90 -13.349 -1.368 -8.154 1.00 23.32 C ATOM 1290 CD ARG A 90 -14.399 -2.224 -7.498 1.00 12.25 C ATOM 1291 NE ARG A 90 -15.502 -2.551 -8.394 1.00 73.10 N ATOM 1292 CZ ARG A 90 -16.708 -2.927 -7.990 1.00 22.03 C ATOM 1293 NH1 ARG A 90 -16.997 -2.921 -6.688 1.00 74.44 N1+ ATOM 1294 NH2 ARG A 90 -17.618 -3.284 -8.880 1.00 31.43 N ATOM 0 H ARG A 90 -10.519 -2.047 -7.751 1.00 33.35 H new ATOM 0 HA ARG A 90 -12.509 -4.033 -8.349 1.00 35.34 H new ATOM 0 HB2 ARG A 90 -11.890 -1.395 -9.711 1.00 71.43 H new ATOM 0 HB3 ARG A 90 -13.291 -2.402 -10.020 1.00 71.43 H new ATOM 0 HG2 ARG A 90 -12.646 -1.022 -7.397 1.00 23.32 H new ATOM 0 HG3 ARG A 90 -13.823 -0.483 -8.578 1.00 23.32 H new ATOM 0 HD2 ARG A 90 -13.940 -3.146 -7.143 1.00 12.25 H new ATOM 0 HD3 ARG A 90 -14.790 -1.705 -6.623 1.00 12.25 H new ATOM 0 HE ARG A 90 -15.335 -2.486 -9.398 1.00 73.10 H new ATOM 0 HH11 ARG A 90 -16.293 -2.629 -6.011 1.00 74.44 H new ATOM 0 HH12 ARG A 90 -17.922 -3.209 -6.370 1.00 74.44 H new ATOM 0 HH21 ARG A 90 -17.392 -3.270 -9.874 1.00 31.43 H new ATOM 0 HH22 ARG A 90 -18.546 -3.574 -8.572 1.00 31.43 H new ATOM 1308 N SER A 91 -10.184 -3.188 -10.527 1.00 64.20 N ATOM 1309 CA SER A 91 -9.557 -3.490 -11.801 1.00 41.12 C ATOM 1310 C SER A 91 -10.588 -3.357 -13.003 1.00 5.52 C ATOM 1311 O SER A 91 -10.588 -2.306 -13.640 1.00 43.31 O ATOM 1312 CB SER A 91 -8.684 -4.769 -11.750 1.00 14.13 C ATOM 1313 OG SER A 91 -7.645 -4.622 -10.772 1.00 14.35 O ATOM 0 H SER A 91 -9.839 -2.328 -10.100 1.00 64.20 H new ATOM 0 HA SER A 91 -8.814 -2.724 -12.022 1.00 41.12 H new ATOM 0 HB2 SER A 91 -9.304 -5.632 -11.505 1.00 14.13 H new ATOM 0 HB3 SER A 91 -8.246 -4.959 -12.730 1.00 14.13 H new ATOM 0 HG SER A 91 -8.027 -4.275 -9.939 1.00 14.35 H new ATOM 1319 N PRO A 92 -11.463 -4.364 -13.379 1.00 11.15 N ATOM 1320 CA PRO A 92 -12.540 -4.088 -14.311 1.00 74.32 C ATOM 1321 C PRO A 92 -13.898 -3.832 -13.592 1.00 4.33 C ATOM 1322 O PRO A 92 -14.426 -4.710 -12.917 1.00 55.01 O ATOM 1323 CB PRO A 92 -12.606 -5.368 -15.153 1.00 21.33 C ATOM 1324 CG PRO A 92 -12.035 -6.461 -14.289 1.00 42.12 C ATOM 1325 CD PRO A 92 -11.422 -5.807 -13.068 1.00 50.12 C ATOM 0 HA PRO A 92 -12.359 -3.185 -14.893 1.00 74.32 H new ATOM 0 HB2 PRO A 92 -13.633 -5.594 -15.440 1.00 21.33 H new ATOM 0 HB3 PRO A 92 -12.034 -5.259 -16.074 1.00 21.33 H new ATOM 0 HG2 PRO A 92 -12.815 -7.164 -13.996 1.00 42.12 H new ATOM 0 HG3 PRO A 92 -11.283 -7.029 -14.837 1.00 42.12 H new ATOM 0 HD2 PRO A 92 -11.988 -6.037 -12.165 1.00 50.12 H new ATOM 0 HD3 PRO A 92 -10.401 -6.151 -12.901 1.00 50.12 H new ATOM 1333 N GLU A 93 -14.420 -2.619 -13.782 1.00 70.32 N ATOM 1334 CA GLU A 93 -15.721 -2.153 -13.249 1.00 31.23 C ATOM 1335 C GLU A 93 -15.907 -2.374 -11.738 1.00 44.34 C ATOM 1336 O GLU A 93 -15.249 -1.674 -10.951 1.00 40.24 O ATOM 1337 CB GLU A 93 -16.897 -2.720 -14.057 1.00 54.43 C ATOM 1338 CG GLU A 93 -16.971 -2.194 -15.486 1.00 52.32 C ATOM 1339 CD GLU A 93 -17.102 -0.688 -15.527 1.00 42.33 C ATOM 1340 OE1 GLU A 93 -16.139 0.009 -15.955 1.00 12.13 O ATOM 1341 OE2 GLU A 93 -18.131 -0.162 -15.106 1.00 31.11 O1- ATOM 1342 OXT GLU A 93 -16.766 -3.183 -11.330 1.00 37.96 O1- ATOM 0 H GLU A 93 -13.940 -1.903 -14.328 1.00 70.32 H new ATOM 0 HA GLU A 93 -15.710 -1.070 -13.375 1.00 31.23 H new ATOM 0 HB2 GLU A 93 -16.817 -3.807 -14.083 1.00 54.43 H new ATOM 0 HB3 GLU A 93 -17.828 -2.481 -13.543 1.00 54.43 H new ATOM 0 HG2 GLU A 93 -16.076 -2.495 -16.030 1.00 52.32 H new ATOM 0 HG3 GLU A 93 -17.822 -2.646 -15.996 1.00 52.32 H new TER 1349 GLU A 93