USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=16 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 52 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 75 TYR OH : rot 120:sc= -0.394 USER MOD Set 2.1: A 35 THR OG1 : rot -62:sc= 0.925 USER MOD Set 2.2: A 37 GLN : amide:sc= 0.0367 X(o=1.5,f=1.4) USER MOD Set 2.3: A 38 GLN : amide:sc= 0.497 K(o=1.5,f=0.34!) USER MOD Single : A 15 ASN : amide:sc= -0.0815 K(o=-0.082,f=-2.1!) USER MOD Single : A 17 HIS : no HE2:sc= -2.33 K(o=-2.3,f=-5!) USER MOD Single : A 21 TYR OH : rot 105:sc= -0.542 USER MOD Single : A 22 GLN : amide:sc= -1.63! C(o=-1.6!,f=-4.8!) USER MOD Single : A 23 GLN : amide:sc= -0.583 K(o=-0.58,f=-2.7) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -1.46! C(o=-1.5!,f=-7.3!) USER MOD Single : A 43 SER OG : rot 158:sc= 0.315 USER MOD Single : A 44 ASN : amide:sc= -0.632 K(o=-0.63,f=-9.5!) USER MOD Single : A 47 GLN : amide:sc= -0.0842 X(o=-0.084,f=-0.084) USER MOD Single : A 56 MET CE :methyl 162:sc= -0.106 (180deg=-0.782) USER MOD Single : A 60 HIS : no HE2:sc= 1.2 K(o=1.2,f=-3.9!) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= 1.71 (180deg=0.162) USER MOD Single : A 65 ASN : amide:sc= 0.597 K(o=0.6,f=-0.75) USER MOD Single : A 67 TYR OH : rot 151:sc= -0.0271 USER MOD Single : A 70 THR OG1 : rot -130:sc= -0.0286 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.248 K(o=0.25,f=-4!) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 87 MET CE :methyl -167:sc= -0.86 (180deg=-1.76) USER MOD Single : A 89 SER OG : rot 72:sc= 1.21 USER MOD Single : A 91 SER OG : rot 39:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 2.037 -0.704 -4.910 1.00 41.34 N ATOM 2 CA ASP A 14 1.318 -0.516 -6.163 1.00 33.33 C ATOM 3 C ASP A 14 0.413 0.670 -6.006 1.00 23.54 C ATOM 4 O ASP A 14 -0.034 0.939 -4.897 1.00 34.22 O ATOM 5 CB ASP A 14 0.522 -1.778 -6.518 1.00 63.45 C ATOM 6 CG ASP A 14 -0.345 -1.601 -7.744 1.00 73.41 C ATOM 7 OD1 ASP A 14 -1.420 -2.196 -7.806 1.00 71.22 O ATOM 8 OD2 ASP A 14 0.022 -0.819 -8.637 1.00 72.25 O1- ATOM 0 HA ASP A 14 2.018 -0.337 -6.979 1.00 33.33 H new ATOM 0 HB2 ASP A 14 1.214 -2.603 -6.685 1.00 63.45 H new ATOM 0 HB3 ASP A 14 -0.106 -2.055 -5.672 1.00 63.45 H new ATOM 13 N ASN A 15 0.203 1.389 -7.085 1.00 73.51 N ATOM 14 CA ASN A 15 -0.628 2.583 -7.119 1.00 22.45 C ATOM 15 C ASN A 15 -0.830 3.032 -8.564 1.00 21.32 C ATOM 16 O ASN A 15 -1.188 4.177 -8.802 1.00 65.41 O ATOM 17 CB ASN A 15 0.001 3.754 -6.305 1.00 73.05 C ATOM 18 CG ASN A 15 1.357 4.232 -6.833 1.00 73.41 C ATOM 19 OD1 ASN A 15 2.152 3.457 -7.360 1.00 3.14 O ATOM 20 ND2 ASN A 15 1.623 5.508 -6.701 1.00 5.51 N ATOM 0 H ASN A 15 0.614 1.158 -7.990 1.00 73.51 H new ATOM 0 HA ASN A 15 -1.585 2.328 -6.664 1.00 22.45 H new ATOM 0 HB2 ASN A 15 -0.693 4.595 -6.305 1.00 73.05 H new ATOM 0 HB3 ASN A 15 0.119 3.438 -5.268 1.00 73.05 H new ATOM 0 HD21 ASN A 15 2.509 5.882 -7.040 1.00 5.51 H new ATOM 0 HD22 ASN A 15 0.944 6.128 -6.259 1.00 5.51 H new ATOM 27 N ARG A 16 -0.667 2.094 -9.528 1.00 14.40 N ATOM 28 CA ARG A 16 -0.762 2.444 -10.971 1.00 33.04 C ATOM 29 C ARG A 16 -2.018 3.222 -11.376 1.00 71.41 C ATOM 30 O ARG A 16 -1.928 4.207 -12.083 1.00 64.12 O ATOM 31 CB ARG A 16 -0.421 1.269 -11.944 1.00 32.01 C ATOM 32 CG ARG A 16 -0.741 -0.124 -11.433 1.00 24.20 C ATOM 33 CD ARG A 16 -2.220 -0.373 -11.229 1.00 10.12 C ATOM 34 NE ARG A 16 -2.438 -1.461 -10.269 1.00 50.12 N ATOM 35 CZ ARG A 16 -3.463 -2.326 -10.216 1.00 50.01 C ATOM 36 NH1 ARG A 16 -4.366 -2.396 -11.189 1.00 72.43 N1+ ATOM 37 NH2 ARG A 16 -3.549 -3.139 -9.182 1.00 53.43 N ATOM 0 H ARG A 16 -0.473 1.110 -9.342 1.00 14.40 H new ATOM 0 HA ARG A 16 0.047 3.164 -11.096 1.00 33.04 H new ATOM 0 HB2 ARG A 16 -0.961 1.426 -12.877 1.00 32.01 H new ATOM 0 HB3 ARG A 16 0.642 1.314 -12.180 1.00 32.01 H new ATOM 0 HG2 ARG A 16 -0.352 -0.858 -12.138 1.00 24.20 H new ATOM 0 HG3 ARG A 16 -0.221 -0.283 -10.488 1.00 24.20 H new ATOM 0 HD2 ARG A 16 -2.700 0.537 -10.869 1.00 10.12 H new ATOM 0 HD3 ARG A 16 -2.686 -0.624 -12.182 1.00 10.12 H new ATOM 0 HE ARG A 16 -1.721 -1.574 -9.552 1.00 50.12 H new ATOM 0 HH11 ARG A 16 -4.290 -1.783 -12.001 1.00 72.43 H new ATOM 0 HH12 ARG A 16 -5.135 -3.063 -11.124 1.00 72.43 H new ATOM 0 HH21 ARG A 16 -2.846 -3.102 -8.444 1.00 53.43 H new ATOM 0 HH22 ARG A 16 -4.319 -3.805 -9.120 1.00 53.43 H new ATOM 51 N HIS A 17 -3.169 2.796 -10.909 1.00 32.12 N ATOM 52 CA HIS A 17 -4.403 3.504 -11.215 1.00 31.24 C ATOM 53 C HIS A 17 -4.554 4.739 -10.346 1.00 50.11 C ATOM 54 O HIS A 17 -4.931 5.809 -10.802 1.00 42.34 O ATOM 55 CB HIS A 17 -5.628 2.589 -11.085 1.00 75.00 C ATOM 56 CG HIS A 17 -5.727 1.561 -12.159 1.00 71.14 C ATOM 57 ND1 HIS A 17 -5.926 1.851 -13.492 1.00 64.34 N ATOM 58 CD2 HIS A 17 -5.619 0.227 -12.083 1.00 65.42 C ATOM 59 CE1 HIS A 17 -5.929 0.703 -14.167 1.00 54.13 C ATOM 60 NE2 HIS A 17 -5.742 -0.323 -13.352 1.00 3.24 N ATOM 0 H HIS A 17 -3.283 1.971 -10.320 1.00 32.12 H new ATOM 0 HA HIS A 17 -4.343 3.826 -12.255 1.00 31.24 H new ATOM 0 HB2 HIS A 17 -5.595 2.088 -10.117 1.00 75.00 H new ATOM 0 HB3 HIS A 17 -6.530 3.201 -11.096 1.00 75.00 H new ATOM 0 HD1 HIS A 17 -6.049 2.782 -13.891 1.00 64.34 H new ATOM 0 HD2 HIS A 17 -5.461 -0.334 -11.174 1.00 65.42 H new ATOM 0 HE1 HIS A 17 -6.066 0.620 -15.235 1.00 54.13 H new ATOM 68 N ALA A 18 -4.180 4.584 -9.108 1.00 53.24 N ATOM 69 CA ALA A 18 -4.354 5.598 -8.091 1.00 64.21 C ATOM 70 C ALA A 18 -3.542 6.871 -8.346 1.00 71.04 C ATOM 71 O ALA A 18 -3.774 7.900 -7.715 1.00 33.51 O ATOM 72 CB ALA A 18 -4.137 5.025 -6.731 1.00 64.45 C ATOM 0 H ALA A 18 -3.735 3.733 -8.764 1.00 53.24 H new ATOM 0 HA ALA A 18 -5.391 5.929 -8.146 1.00 64.21 H new ATOM 0 HB1 ALA A 18 -4.273 5.805 -5.982 1.00 64.45 H new ATOM 0 HB2 ALA A 18 -4.855 4.224 -6.555 1.00 64.45 H new ATOM 0 HB3 ALA A 18 -3.125 4.627 -6.661 1.00 64.45 H new ATOM 78 N ALA A 19 -2.560 6.779 -9.231 1.00 61.44 N ATOM 79 CA ALA A 19 -1.800 7.942 -9.676 1.00 42.45 C ATOM 80 C ALA A 19 -2.743 9.014 -10.274 1.00 5.00 C ATOM 81 O ALA A 19 -2.430 10.203 -10.261 1.00 21.32 O ATOM 82 CB ALA A 19 -0.751 7.524 -10.697 1.00 73.10 C ATOM 0 H ALA A 19 -2.267 5.901 -9.660 1.00 61.44 H new ATOM 0 HA ALA A 19 -1.294 8.377 -8.814 1.00 42.45 H new ATOM 0 HB1 ALA A 19 -0.190 8.400 -11.022 1.00 73.10 H new ATOM 0 HB2 ALA A 19 -0.069 6.804 -10.244 1.00 73.10 H new ATOM 0 HB3 ALA A 19 -1.242 7.068 -11.557 1.00 73.10 H new ATOM 88 N ASP A 20 -3.893 8.573 -10.792 1.00 2.52 N ATOM 89 CA ASP A 20 -4.919 9.489 -11.306 1.00 73.21 C ATOM 90 C ASP A 20 -5.710 9.996 -10.109 1.00 72.21 C ATOM 91 O ASP A 20 -5.924 11.193 -9.963 1.00 5.34 O ATOM 92 CB ASP A 20 -5.854 8.746 -12.294 1.00 24.23 C ATOM 93 CG ASP A 20 -6.817 9.628 -13.126 1.00 51.12 C ATOM 94 OD1 ASP A 20 -7.990 9.802 -12.748 1.00 64.33 O ATOM 95 OD2 ASP A 20 -6.437 10.082 -14.219 1.00 42.51 O1- ATOM 0 H ASP A 20 -4.138 7.586 -10.867 1.00 2.52 H new ATOM 0 HA ASP A 20 -4.462 10.319 -11.844 1.00 73.21 H new ATOM 0 HB2 ASP A 20 -5.235 8.171 -12.983 1.00 24.23 H new ATOM 0 HB3 ASP A 20 -6.450 8.030 -11.728 1.00 24.23 H new ATOM 100 N TYR A 21 -6.031 9.060 -9.181 1.00 44.45 N ATOM 101 CA TYR A 21 -6.837 9.336 -7.963 1.00 61.01 C ATOM 102 C TYR A 21 -6.268 10.449 -7.153 1.00 62.43 C ATOM 103 O TYR A 21 -7.020 11.198 -6.540 1.00 24.43 O ATOM 104 CB TYR A 21 -6.938 8.121 -7.028 1.00 50.33 C ATOM 105 CG TYR A 21 -7.908 8.342 -5.870 1.00 71.11 C ATOM 106 CD1 TYR A 21 -9.242 8.086 -6.057 1.00 42.24 C ATOM 107 CD2 TYR A 21 -7.500 8.833 -4.602 1.00 72.21 C ATOM 108 CE1 TYR A 21 -10.151 8.284 -5.065 1.00 21.51 C ATOM 109 CE2 TYR A 21 -8.431 9.028 -3.599 1.00 62.04 C ATOM 110 CZ TYR A 21 -9.749 8.745 -3.842 1.00 22.54 C ATOM 111 OH TYR A 21 -10.676 8.940 -2.862 1.00 33.32 O ATOM 0 H TYR A 21 -5.737 8.086 -9.256 1.00 44.45 H new ATOM 0 HA TYR A 21 -7.823 9.599 -8.345 1.00 61.01 H new ATOM 0 HB2 TYR A 21 -7.258 7.252 -7.603 1.00 50.33 H new ATOM 0 HB3 TYR A 21 -5.950 7.893 -6.629 1.00 50.33 H new ATOM 0 HD1 TYR A 21 -9.579 7.718 -7.015 1.00 42.24 H new ATOM 0 HD2 TYR A 21 -6.459 9.055 -4.420 1.00 72.21 H new ATOM 0 HE1 TYR A 21 -11.196 8.076 -5.244 1.00 21.51 H new ATOM 0 HE2 TYR A 21 -8.122 9.400 -2.633 1.00 62.04 H new ATOM 0 HH TYR A 21 -10.611 8.218 -2.202 1.00 33.32 H new ATOM 121 N GLN A 22 -4.946 10.523 -7.117 1.00 3.13 N ATOM 122 CA GLN A 22 -4.231 11.526 -6.355 1.00 1.41 C ATOM 123 C GLN A 22 -4.875 12.901 -6.579 1.00 65.03 C ATOM 124 O GLN A 22 -5.338 13.511 -5.644 1.00 1.44 O ATOM 125 CB GLN A 22 -2.761 11.545 -6.771 1.00 42.13 C ATOM 126 CG GLN A 22 -1.878 12.444 -5.921 1.00 60.44 C ATOM 127 CD GLN A 22 -1.606 11.904 -4.520 1.00 32.44 C ATOM 128 OE1 GLN A 22 -1.575 10.689 -4.284 1.00 12.44 O ATOM 129 NE2 GLN A 22 -1.439 12.788 -3.567 1.00 21.54 N ATOM 0 H GLN A 22 -4.337 9.880 -7.623 1.00 3.13 H new ATOM 0 HA GLN A 22 -4.286 11.283 -5.294 1.00 1.41 H new ATOM 0 HB2 GLN A 22 -2.371 10.528 -6.728 1.00 42.13 H new ATOM 0 HB3 GLN A 22 -2.694 11.868 -7.810 1.00 42.13 H new ATOM 0 HG2 GLN A 22 -0.927 12.591 -6.433 1.00 60.44 H new ATOM 0 HG3 GLN A 22 -2.349 13.423 -5.836 1.00 60.44 H new ATOM 0 HE21 GLN A 22 -1.468 13.784 -3.784 1.00 21.54 H new ATOM 0 HE22 GLN A 22 -1.280 12.480 -2.608 1.00 21.54 H new ATOM 138 N GLN A 23 -5.040 13.274 -7.844 1.00 73.51 N ATOM 139 CA GLN A 23 -5.621 14.571 -8.240 1.00 1.32 C ATOM 140 C GLN A 23 -7.058 14.750 -7.697 1.00 32.24 C ATOM 141 O GLN A 23 -7.470 15.865 -7.345 1.00 24.33 O ATOM 142 CB GLN A 23 -5.611 14.748 -9.778 1.00 10.11 C ATOM 143 CG GLN A 23 -4.228 14.897 -10.448 1.00 13.24 C ATOM 144 CD GLN A 23 -3.301 13.708 -10.243 1.00 14.42 C ATOM 145 OE1 GLN A 23 -2.525 13.673 -9.309 1.00 1.12 O ATOM 146 NE2 GLN A 23 -3.405 12.726 -11.092 1.00 73.44 N ATOM 0 H GLN A 23 -4.775 12.687 -8.635 1.00 73.51 H new ATOM 0 HA GLN A 23 -4.992 15.343 -7.796 1.00 1.32 H new ATOM 0 HB2 GLN A 23 -6.114 13.890 -10.223 1.00 10.11 H new ATOM 0 HB3 GLN A 23 -6.205 15.628 -10.023 1.00 10.11 H new ATOM 0 HG2 GLN A 23 -4.370 15.052 -11.518 1.00 13.24 H new ATOM 0 HG3 GLN A 23 -3.743 15.792 -10.058 1.00 13.24 H new ATOM 0 HE21 GLN A 23 -4.067 12.788 -11.865 1.00 73.44 H new ATOM 0 HE22 GLN A 23 -2.824 11.895 -10.984 1.00 73.44 H new ATOM 155 N LEU A 24 -7.798 13.644 -7.603 1.00 55.41 N ATOM 156 CA LEU A 24 -9.164 13.644 -7.058 1.00 1.53 C ATOM 157 C LEU A 24 -9.111 13.994 -5.585 1.00 41.23 C ATOM 158 O LEU A 24 -9.949 14.726 -5.074 1.00 41.51 O ATOM 159 CB LEU A 24 -9.873 12.238 -7.312 1.00 5.24 C ATOM 160 CG LEU A 24 -11.276 11.959 -6.723 1.00 54.01 C ATOM 161 CD1 LEU A 24 -11.874 10.752 -7.407 1.00 21.24 C ATOM 162 CD2 LEU A 24 -11.233 11.681 -5.229 1.00 64.00 C ATOM 0 H LEU A 24 -7.472 12.724 -7.900 1.00 55.41 H new ATOM 0 HA LEU A 24 -9.764 14.396 -7.570 1.00 1.53 H new ATOM 0 HB2 LEU A 24 -9.942 12.100 -8.391 1.00 5.24 H new ATOM 0 HB3 LEU A 24 -9.204 11.465 -6.934 1.00 5.24 H new ATOM 0 HG LEU A 24 -11.877 12.853 -6.889 1.00 54.01 H new ATOM 0 HD11 LEU A 24 -12.863 10.553 -6.994 1.00 21.24 H new ATOM 0 HD12 LEU A 24 -11.959 10.945 -8.476 1.00 21.24 H new ATOM 0 HD13 LEU A 24 -11.232 9.886 -7.245 1.00 21.24 H new ATOM 0 HD21 LEU A 24 -12.243 11.492 -4.865 1.00 64.00 H new ATOM 0 HD22 LEU A 24 -10.609 10.808 -5.039 1.00 64.00 H new ATOM 0 HD23 LEU A 24 -10.816 12.544 -4.710 1.00 64.00 H new ATOM 174 N ARG A 25 -8.072 13.549 -4.940 1.00 53.33 N ATOM 175 CA ARG A 25 -7.962 13.664 -3.531 1.00 73.01 C ATOM 176 C ARG A 25 -7.433 15.005 -3.146 1.00 30.23 C ATOM 177 O ARG A 25 -7.854 15.587 -2.137 1.00 42.42 O ATOM 178 CB ARG A 25 -7.132 12.529 -2.971 1.00 54.03 C ATOM 179 CG ARG A 25 -6.844 12.666 -1.501 1.00 52.03 C ATOM 180 CD ARG A 25 -6.613 11.328 -0.853 1.00 41.21 C ATOM 181 NE ARG A 25 -5.390 10.522 -1.224 1.00 23.41 N ATOM 182 CZ ARG A 25 -4.294 10.827 -1.988 1.00 32.44 C ATOM 183 NH1 ARG A 25 -4.020 12.068 -2.414 1.00 42.24 N1+ ATOM 184 NH2 ARG A 25 -3.428 9.856 -2.252 1.00 44.05 N ATOM 0 H ARG A 25 -7.276 13.094 -5.388 1.00 53.33 H new ATOM 0 HA ARG A 25 -8.956 13.582 -3.091 1.00 73.01 H new ATOM 0 HB2 ARG A 25 -7.653 11.588 -3.145 1.00 54.03 H new ATOM 0 HB3 ARG A 25 -6.189 12.476 -3.515 1.00 54.03 H new ATOM 0 HG2 ARG A 25 -5.966 13.296 -1.359 1.00 52.03 H new ATOM 0 HG3 ARG A 25 -7.679 13.168 -1.012 1.00 52.03 H new ATOM 0 HD2 ARG A 25 -6.584 11.488 0.225 1.00 41.21 H new ATOM 0 HD3 ARG A 25 -7.487 10.710 -1.060 1.00 41.21 H new ATOM 0 HE ARG A 25 -5.378 9.579 -0.835 1.00 23.41 H new ATOM 0 HH11 ARG A 25 -4.642 12.839 -2.171 1.00 42.24 H new ATOM 0 HH12 ARG A 25 -3.190 12.241 -2.981 1.00 42.24 H new ATOM 0 HH21 ARG A 25 -3.589 8.916 -1.889 1.00 44.05 H new ATOM 0 HH22 ARG A 25 -2.602 10.050 -2.818 1.00 44.05 H new ATOM 198 N GLU A 26 -6.553 15.510 -3.970 1.00 72.41 N ATOM 199 CA GLU A 26 -5.981 16.806 -3.762 1.00 4.12 C ATOM 200 C GLU A 26 -7.097 17.841 -3.849 1.00 21.45 C ATOM 201 O GLU A 26 -7.136 18.812 -3.086 1.00 14.33 O ATOM 202 CB GLU A 26 -4.895 17.093 -4.795 1.00 32.30 C ATOM 203 CG GLU A 26 -3.889 15.959 -5.032 1.00 43.43 C ATOM 204 CD GLU A 26 -3.260 15.354 -3.776 1.00 12.12 C ATOM 205 OE1 GLU A 26 -2.035 15.463 -3.612 1.00 35.22 O ATOM 206 OE2 GLU A 26 -3.976 14.680 -2.991 1.00 21.33 O1- ATOM 0 H GLU A 26 -6.215 15.030 -4.804 1.00 72.41 H new ATOM 0 HA GLU A 26 -5.512 16.849 -2.779 1.00 4.12 H new ATOM 0 HB2 GLU A 26 -5.375 17.333 -5.744 1.00 32.30 H new ATOM 0 HB3 GLU A 26 -4.347 17.981 -4.482 1.00 32.30 H new ATOM 0 HG2 GLU A 26 -4.390 15.164 -5.584 1.00 43.43 H new ATOM 0 HG3 GLU A 26 -3.090 16.335 -5.671 1.00 43.43 H new ATOM 213 N ARG A 27 -8.040 17.607 -4.766 1.00 65.20 N ATOM 214 CA ARG A 27 -9.199 18.444 -4.831 1.00 63.14 C ATOM 215 C ARG A 27 -10.138 18.151 -3.666 1.00 12.44 C ATOM 216 O ARG A 27 -10.714 19.063 -3.122 1.00 14.21 O ATOM 217 CB ARG A 27 -9.973 18.346 -6.162 1.00 53.52 C ATOM 218 CG ARG A 27 -11.295 19.103 -6.063 1.00 43.42 C ATOM 219 CD ARG A 27 -12.150 19.103 -7.302 1.00 33.50 C ATOM 220 NE ARG A 27 -13.491 19.560 -6.928 1.00 23.34 N ATOM 221 CZ ARG A 27 -14.064 20.720 -7.221 1.00 73.21 C ATOM 222 NH1 ARG A 27 -13.476 21.581 -8.061 1.00 44.42 N1+ ATOM 223 NH2 ARG A 27 -15.234 21.023 -6.650 1.00 22.31 N ATOM 0 H ARG A 27 -8.009 16.854 -5.454 1.00 65.20 H new ATOM 0 HA ARG A 27 -8.825 19.466 -4.766 1.00 63.14 H new ATOM 0 HB2 ARG A 27 -9.371 18.757 -6.972 1.00 53.52 H new ATOM 0 HB3 ARG A 27 -10.162 17.300 -6.404 1.00 53.52 H new ATOM 0 HG2 ARG A 27 -11.875 18.676 -5.245 1.00 43.42 H new ATOM 0 HG3 ARG A 27 -11.079 20.137 -5.794 1.00 43.42 H new ATOM 0 HD2 ARG A 27 -11.722 19.759 -8.060 1.00 33.50 H new ATOM 0 HD3 ARG A 27 -12.195 18.103 -7.734 1.00 33.50 H new ATOM 0 HE ARG A 27 -14.050 18.909 -6.377 1.00 23.34 H new ATOM 0 HH11 ARG A 27 -12.577 21.348 -8.484 1.00 44.42 H new ATOM 0 HH12 ARG A 27 -13.927 22.470 -8.278 1.00 44.42 H new ATOM 0 HH21 ARG A 27 -15.670 20.367 -6.002 1.00 22.31 H new ATOM 0 HH22 ARG A 27 -15.691 21.910 -6.862 1.00 22.31 H new ATOM 237 N LEU A 28 -10.260 16.878 -3.273 1.00 23.04 N ATOM 238 CA LEU A 28 -11.169 16.476 -2.214 1.00 53.02 C ATOM 239 C LEU A 28 -10.902 17.224 -0.907 1.00 3.23 C ATOM 240 O LEU A 28 -11.825 17.493 -0.149 1.00 73.52 O ATOM 241 CB LEU A 28 -11.216 14.934 -2.047 1.00 11.14 C ATOM 242 CG LEU A 28 -12.635 14.403 -1.798 1.00 51.00 C ATOM 243 CD1 LEU A 28 -12.766 12.961 -2.209 1.00 11.54 C ATOM 244 CD2 LEU A 28 -13.067 14.580 -0.349 1.00 73.15 C ATOM 0 H LEU A 28 -9.731 16.108 -3.682 1.00 23.04 H new ATOM 0 HA LEU A 28 -12.173 16.773 -2.518 1.00 53.02 H new ATOM 0 HB2 LEU A 28 -10.810 14.464 -2.943 1.00 11.14 H new ATOM 0 HB3 LEU A 28 -10.574 14.644 -1.215 1.00 11.14 H new ATOM 0 HG LEU A 28 -13.301 15.000 -2.420 1.00 51.00 H new ATOM 0 HD11 LEU A 28 -13.783 12.619 -2.018 1.00 11.54 H new ATOM 0 HD12 LEU A 28 -12.544 12.864 -3.272 1.00 11.54 H new ATOM 0 HD13 LEU A 28 -12.066 12.354 -1.635 1.00 11.54 H new ATOM 0 HD21 LEU A 28 -14.077 14.190 -0.220 1.00 73.15 H new ATOM 0 HD22 LEU A 28 -12.383 14.038 0.304 1.00 73.15 H new ATOM 0 HD23 LEU A 28 -13.051 15.639 -0.091 1.00 73.15 H new ATOM 256 N ILE A 29 -9.656 17.597 -0.684 1.00 51.51 N ATOM 257 CA ILE A 29 -9.296 18.438 0.451 1.00 73.32 C ATOM 258 C ILE A 29 -10.033 19.794 0.350 1.00 74.24 C ATOM 259 O ILE A 29 -10.737 20.205 1.263 1.00 43.30 O ATOM 260 CB ILE A 29 -7.750 18.647 0.515 1.00 32.32 C ATOM 261 CG1 ILE A 29 -7.067 17.291 0.733 1.00 74.14 C ATOM 262 CG2 ILE A 29 -7.353 19.648 1.598 1.00 2.44 C ATOM 263 CD1 ILE A 29 -5.573 17.341 0.944 1.00 44.13 C ATOM 0 H ILE A 29 -8.869 17.331 -1.276 1.00 51.51 H new ATOM 0 HA ILE A 29 -9.602 17.941 1.372 1.00 73.32 H new ATOM 0 HB ILE A 29 -7.417 19.071 -0.432 1.00 32.32 H new ATOM 0 HG12 ILE A 29 -7.522 16.810 1.598 1.00 74.14 H new ATOM 0 HG13 ILE A 29 -7.273 16.657 -0.130 1.00 74.14 H new ATOM 0 HG21 ILE A 29 -6.269 19.763 1.607 1.00 2.44 H new ATOM 0 HG22 ILE A 29 -7.818 20.612 1.391 1.00 2.44 H new ATOM 0 HG23 ILE A 29 -7.688 19.285 2.570 1.00 2.44 H new ATOM 0 HD11 ILE A 29 -5.192 16.330 1.088 1.00 44.13 H new ATOM 0 HD12 ILE A 29 -5.097 17.787 0.071 1.00 44.13 H new ATOM 0 HD13 ILE A 29 -5.350 17.942 1.826 1.00 44.13 H new ATOM 275 N GLN A 30 -9.933 20.413 -0.807 1.00 5.41 N ATOM 276 CA GLN A 30 -10.558 21.708 -1.084 1.00 42.30 C ATOM 277 C GLN A 30 -12.090 21.578 -1.189 1.00 65.53 C ATOM 278 O GLN A 30 -12.821 22.475 -0.789 1.00 25.44 O ATOM 279 CB GLN A 30 -9.992 22.264 -2.401 1.00 2.44 C ATOM 280 CG GLN A 30 -10.629 23.561 -2.880 1.00 0.04 C ATOM 281 CD GLN A 30 -10.087 24.007 -4.219 1.00 14.50 C ATOM 282 OE1 GLN A 30 -10.600 23.637 -5.271 1.00 25.31 O ATOM 283 NE2 GLN A 30 -9.052 24.805 -4.197 1.00 3.43 N ATOM 0 H GLN A 30 -9.411 20.034 -1.597 1.00 5.41 H new ATOM 0 HA GLN A 30 -10.335 22.387 -0.261 1.00 42.30 H new ATOM 0 HB2 GLN A 30 -8.921 22.427 -2.278 1.00 2.44 H new ATOM 0 HB3 GLN A 30 -10.113 21.509 -3.178 1.00 2.44 H new ATOM 0 HG2 GLN A 30 -11.708 23.427 -2.954 1.00 0.04 H new ATOM 0 HG3 GLN A 30 -10.454 24.343 -2.141 1.00 0.04 H new ATOM 0 HE21 GLN A 30 -8.649 25.094 -3.305 1.00 3.43 H new ATOM 0 HE22 GLN A 30 -8.647 25.139 -5.071 1.00 3.43 H new ATOM 292 N GLU A 31 -12.528 20.435 -1.695 1.00 41.02 N ATOM 293 CA GLU A 31 -13.929 20.113 -1.988 1.00 51.42 C ATOM 294 C GLU A 31 -14.870 20.471 -0.825 1.00 31.42 C ATOM 295 O GLU A 31 -15.871 21.181 -1.012 1.00 10.23 O ATOM 296 CB GLU A 31 -14.026 18.623 -2.313 1.00 30.42 C ATOM 297 CG GLU A 31 -15.337 18.174 -2.910 1.00 51.03 C ATOM 298 CD GLU A 31 -15.568 18.781 -4.272 1.00 55.13 C ATOM 299 OE1 GLU A 31 -15.027 18.275 -5.250 1.00 63.13 O ATOM 300 OE2 GLU A 31 -16.307 19.780 -4.374 1.00 13.11 O1- ATOM 0 H GLU A 31 -11.895 19.669 -1.925 1.00 41.02 H new ATOM 0 HA GLU A 31 -14.250 20.712 -2.840 1.00 51.42 H new ATOM 0 HB2 GLU A 31 -13.224 18.367 -3.006 1.00 30.42 H new ATOM 0 HB3 GLU A 31 -13.850 18.057 -1.398 1.00 30.42 H new ATOM 0 HG2 GLU A 31 -15.347 17.087 -2.990 1.00 51.03 H new ATOM 0 HG3 GLU A 31 -16.154 18.452 -2.244 1.00 51.03 H new ATOM 307 N LEU A 32 -14.565 19.983 0.367 1.00 45.42 N ATOM 308 CA LEU A 32 -15.373 20.338 1.531 1.00 21.13 C ATOM 309 C LEU A 32 -14.619 21.284 2.445 1.00 2.30 C ATOM 310 O LEU A 32 -15.078 21.574 3.545 1.00 73.03 O ATOM 311 CB LEU A 32 -15.774 19.101 2.318 1.00 4.35 C ATOM 312 CG LEU A 32 -16.557 18.039 1.571 1.00 61.52 C ATOM 313 CD1 LEU A 32 -16.782 16.843 2.472 1.00 4.04 C ATOM 314 CD2 LEU A 32 -17.885 18.598 1.075 1.00 55.04 C ATOM 0 H LEU A 32 -13.784 19.355 0.556 1.00 45.42 H new ATOM 0 HA LEU A 32 -16.271 20.832 1.161 1.00 21.13 H new ATOM 0 HB2 LEU A 32 -14.868 18.641 2.712 1.00 4.35 H new ATOM 0 HB3 LEU A 32 -16.367 19.421 3.175 1.00 4.35 H new ATOM 0 HG LEU A 32 -15.982 17.722 0.701 1.00 61.52 H new ATOM 0 HD11 LEU A 32 -17.345 16.082 1.932 1.00 4.04 H new ATOM 0 HD12 LEU A 32 -15.820 16.433 2.780 1.00 4.04 H new ATOM 0 HD13 LEU A 32 -17.343 17.152 3.354 1.00 4.04 H new ATOM 0 HD21 LEU A 32 -18.431 17.820 0.542 1.00 55.04 H new ATOM 0 HD22 LEU A 32 -18.476 18.939 1.925 1.00 55.04 H new ATOM 0 HD23 LEU A 32 -17.699 19.436 0.403 1.00 55.04 H new ATOM 326 N ASN A 33 -13.485 21.790 1.961 1.00 64.42 N ATOM 327 CA ASN A 33 -12.585 22.662 2.748 1.00 53.03 C ATOM 328 C ASN A 33 -12.079 21.928 3.979 1.00 75.14 C ATOM 329 O ASN A 33 -11.960 22.492 5.073 1.00 35.53 O ATOM 330 CB ASN A 33 -13.250 24.008 3.138 1.00 24.20 C ATOM 331 CG ASN A 33 -13.557 24.895 1.945 1.00 63.11 C ATOM 332 OD1 ASN A 33 -12.734 25.698 1.520 1.00 20.23 O ATOM 333 ND2 ASN A 33 -14.746 24.775 1.407 1.00 1.12 N ATOM 0 H ASN A 33 -13.156 21.612 1.012 1.00 64.42 H new ATOM 0 HA ASN A 33 -11.736 22.908 2.110 1.00 53.03 H new ATOM 0 HB2 ASN A 33 -14.175 23.805 3.678 1.00 24.20 H new ATOM 0 HB3 ASN A 33 -12.593 24.545 3.822 1.00 24.20 H new ATOM 0 HD21 ASN A 33 -15.008 25.359 0.613 1.00 1.12 H new ATOM 0 HD22 ASN A 33 -15.410 24.098 1.783 1.00 1.12 H new ATOM 340 N LEU A 34 -11.729 20.675 3.779 1.00 62.22 N ATOM 341 CA LEU A 34 -11.226 19.852 4.836 1.00 61.00 C ATOM 342 C LEU A 34 -9.772 20.195 5.044 1.00 31.02 C ATOM 343 O LEU A 34 -9.016 20.263 4.095 1.00 24.40 O ATOM 344 CB LEU A 34 -11.325 18.345 4.494 1.00 71.24 C ATOM 345 CG LEU A 34 -12.713 17.734 4.259 1.00 31.22 C ATOM 346 CD1 LEU A 34 -12.880 17.310 2.803 1.00 1.01 C ATOM 347 CD2 LEU A 34 -12.928 16.542 5.174 1.00 30.43 C ATOM 0 H LEU A 34 -11.789 20.207 2.875 1.00 62.22 H new ATOM 0 HA LEU A 34 -11.822 20.038 5.729 1.00 61.00 H new ATOM 0 HB2 LEU A 34 -10.730 18.169 3.598 1.00 71.24 H new ATOM 0 HB3 LEU A 34 -10.852 17.790 5.304 1.00 71.24 H new ATOM 0 HG LEU A 34 -13.460 18.494 4.486 1.00 31.22 H new ATOM 0 HD11 LEU A 34 -13.871 16.880 2.661 1.00 1.01 H new ATOM 0 HD12 LEU A 34 -12.765 18.179 2.155 1.00 1.01 H new ATOM 0 HD13 LEU A 34 -12.123 16.568 2.551 1.00 1.01 H new ATOM 0 HD21 LEU A 34 -13.917 16.120 4.995 1.00 30.43 H new ATOM 0 HD22 LEU A 34 -12.169 15.786 4.972 1.00 30.43 H new ATOM 0 HD23 LEU A 34 -12.853 16.863 6.213 1.00 30.43 H new ATOM 359 N THR A 35 -9.378 20.426 6.257 1.00 53.34 N ATOM 360 CA THR A 35 -7.997 20.680 6.516 1.00 34.34 C ATOM 361 C THR A 35 -7.264 19.329 6.542 1.00 51.14 C ATOM 362 O THR A 35 -7.898 18.301 6.782 1.00 35.40 O ATOM 363 CB THR A 35 -7.807 21.439 7.861 1.00 10.34 C ATOM 364 OG1 THR A 35 -8.356 20.681 8.957 1.00 14.54 O ATOM 365 CG2 THR A 35 -8.470 22.809 7.811 1.00 5.43 C ATOM 0 H THR A 35 -9.986 20.444 7.076 1.00 53.34 H new ATOM 0 HA THR A 35 -7.585 21.317 5.733 1.00 34.34 H new ATOM 0 HB THR A 35 -6.736 21.569 8.017 1.00 10.34 H new ATOM 0 HG1 THR A 35 -9.320 20.564 8.823 1.00 14.54 H new ATOM 0 HG21 THR A 35 -8.323 23.319 8.763 1.00 5.43 H new ATOM 0 HG22 THR A 35 -8.025 23.400 7.010 1.00 5.43 H new ATOM 0 HG23 THR A 35 -9.537 22.690 7.624 1.00 5.43 H new ATOM 373 N PRO A 36 -5.935 19.280 6.316 1.00 73.22 N ATOM 374 CA PRO A 36 -5.165 18.002 6.341 1.00 33.11 C ATOM 375 C PRO A 36 -5.171 17.326 7.732 1.00 23.30 C ATOM 376 O PRO A 36 -4.610 16.267 7.917 1.00 33.41 O ATOM 377 CB PRO A 36 -3.739 18.437 5.967 1.00 21.43 C ATOM 378 CG PRO A 36 -3.902 19.761 5.300 1.00 70.23 C ATOM 379 CD PRO A 36 -5.071 20.420 5.971 1.00 12.12 C ATOM 0 HA PRO A 36 -5.595 17.261 5.667 1.00 33.11 H new ATOM 0 HB2 PRO A 36 -3.106 18.516 6.851 1.00 21.43 H new ATOM 0 HB3 PRO A 36 -3.268 17.715 5.300 1.00 21.43 H new ATOM 0 HG2 PRO A 36 -3.000 20.365 5.405 1.00 70.23 H new ATOM 0 HG3 PRO A 36 -4.082 19.640 4.232 1.00 70.23 H new ATOM 0 HD2 PRO A 36 -4.767 20.979 6.856 1.00 12.12 H new ATOM 0 HD3 PRO A 36 -5.575 21.123 5.307 1.00 12.12 H new ATOM 387 N GLN A 37 -5.811 17.976 8.689 1.00 31.31 N ATOM 388 CA GLN A 37 -5.951 17.456 10.034 1.00 33.11 C ATOM 389 C GLN A 37 -7.150 16.512 10.067 1.00 14.32 C ATOM 390 O GLN A 37 -7.229 15.616 10.887 1.00 11.32 O ATOM 391 CB GLN A 37 -6.224 18.603 11.005 1.00 41.23 C ATOM 392 CG GLN A 37 -5.280 19.782 10.871 1.00 21.22 C ATOM 393 CD GLN A 37 -5.632 20.902 11.821 1.00 25.04 C ATOM 394 OE1 GLN A 37 -5.128 20.975 12.924 1.00 34.13 O ATOM 395 NE2 GLN A 37 -6.547 21.750 11.416 1.00 22.44 N ATOM 0 H GLN A 37 -6.251 18.886 8.551 1.00 31.31 H new ATOM 0 HA GLN A 37 -5.036 16.938 10.320 1.00 33.11 H new ATOM 0 HB2 GLN A 37 -7.245 18.953 10.855 1.00 41.23 H new ATOM 0 HB3 GLN A 37 -6.165 18.221 12.024 1.00 41.23 H new ATOM 0 HG2 GLN A 37 -4.259 19.452 11.063 1.00 21.22 H new ATOM 0 HG3 GLN A 37 -5.308 20.154 9.847 1.00 21.22 H new ATOM 0 HE21 GLN A 37 -6.949 21.659 10.483 1.00 22.44 H new ATOM 0 HE22 GLN A 37 -6.856 22.500 12.034 1.00 22.44 H new ATOM 404 N GLN A 38 -8.089 16.747 9.159 1.00 21.01 N ATOM 405 CA GLN A 38 -9.311 15.967 9.102 1.00 43.45 C ATOM 406 C GLN A 38 -9.376 15.172 7.799 1.00 30.13 C ATOM 407 O GLN A 38 -10.207 14.269 7.648 1.00 40.30 O ATOM 408 CB GLN A 38 -10.527 16.905 9.224 1.00 22.53 C ATOM 409 CG GLN A 38 -10.683 17.847 8.059 1.00 33.34 C ATOM 410 CD GLN A 38 -11.576 19.021 8.346 1.00 54.13 C ATOM 411 OE1 GLN A 38 -11.099 20.067 8.779 1.00 42.32 O ATOM 412 NE2 GLN A 38 -12.849 18.878 8.098 1.00 23.13 N ATOM 0 H GLN A 38 -8.023 17.477 8.450 1.00 21.01 H new ATOM 0 HA GLN A 38 -9.323 15.260 9.931 1.00 43.45 H new ATOM 0 HB2 GLN A 38 -11.431 16.303 9.317 1.00 22.53 H new ATOM 0 HB3 GLN A 38 -10.435 17.487 10.141 1.00 22.53 H new ATOM 0 HG2 GLN A 38 -9.699 18.213 7.765 1.00 33.34 H new ATOM 0 HG3 GLN A 38 -11.085 17.296 7.209 1.00 33.34 H new ATOM 0 HE21 GLN A 38 -13.202 17.991 7.739 1.00 23.13 H new ATOM 0 HE22 GLN A 38 -13.491 19.653 8.263 1.00 23.13 H new ATOM 421 N LEU A 39 -8.520 15.523 6.850 1.00 62.30 N ATOM 422 CA LEU A 39 -8.510 14.837 5.595 1.00 65.31 C ATOM 423 C LEU A 39 -7.287 13.972 5.479 1.00 35.22 C ATOM 424 O LEU A 39 -6.197 14.429 5.140 1.00 30.10 O ATOM 425 CB LEU A 39 -8.656 15.797 4.370 1.00 64.44 C ATOM 426 CG LEU A 39 -9.039 15.173 2.985 1.00 41.42 C ATOM 427 CD1 LEU A 39 -7.922 14.343 2.379 1.00 3.30 C ATOM 428 CD2 LEU A 39 -10.294 14.325 3.101 1.00 21.45 C ATOM 0 H LEU A 39 -7.835 16.274 6.937 1.00 62.30 H new ATOM 0 HA LEU A 39 -9.392 14.197 5.575 1.00 65.31 H new ATOM 0 HB2 LEU A 39 -9.410 16.543 4.619 1.00 64.44 H new ATOM 0 HB3 LEU A 39 -7.711 16.327 4.247 1.00 64.44 H new ATOM 0 HG LEU A 39 -9.223 16.014 2.317 1.00 41.42 H new ATOM 0 HD11 LEU A 39 -8.248 13.938 1.421 1.00 3.30 H new ATOM 0 HD12 LEU A 39 -7.044 14.970 2.228 1.00 3.30 H new ATOM 0 HD13 LEU A 39 -7.671 13.524 3.053 1.00 3.30 H new ATOM 0 HD21 LEU A 39 -10.539 13.903 2.126 1.00 21.45 H new ATOM 0 HD22 LEU A 39 -10.123 13.518 3.813 1.00 21.45 H new ATOM 0 HD23 LEU A 39 -11.121 14.945 3.446 1.00 21.45 H new ATOM 440 N HIS A 40 -7.483 12.771 5.841 1.00 21.12 N ATOM 441 CA HIS A 40 -6.590 11.697 5.598 1.00 5.15 C ATOM 442 C HIS A 40 -7.501 10.632 5.018 1.00 33.13 C ATOM 443 O HIS A 40 -8.733 10.776 5.115 1.00 4.03 O ATOM 444 CB HIS A 40 -5.844 11.246 6.874 1.00 71.44 C ATOM 445 CG HIS A 40 -4.865 10.120 6.635 1.00 65.32 C ATOM 446 ND1 HIS A 40 -4.948 8.913 7.252 1.00 51.14 N ATOM 447 CD2 HIS A 40 -3.812 10.026 5.783 1.00 43.25 C ATOM 448 CE1 HIS A 40 -4.005 8.120 6.787 1.00 2.44 C ATOM 449 NE2 HIS A 40 -3.269 8.745 5.881 1.00 24.41 N ATOM 0 H HIS A 40 -8.321 12.484 6.347 1.00 21.12 H new ATOM 0 HA HIS A 40 -5.772 11.956 4.926 1.00 5.15 H new ATOM 0 HB2 HIS A 40 -5.309 12.099 7.293 1.00 71.44 H new ATOM 0 HB3 HIS A 40 -6.574 10.930 7.619 1.00 71.44 H new ATOM 0 HD1 HIS A 40 -5.633 8.660 7.964 1.00 51.14 H new ATOM 0 HD2 HIS A 40 -3.454 10.813 5.136 1.00 43.25 H new ATOM 0 HE1 HIS A 40 -3.853 7.098 7.102 1.00 2.44 H new ATOM 457 N GLU A 41 -6.987 9.616 4.399 1.00 35.42 N ATOM 458 CA GLU A 41 -7.865 8.752 3.669 1.00 75.24 C ATOM 459 C GLU A 41 -8.706 7.725 4.449 1.00 62.14 C ATOM 460 O GLU A 41 -9.578 7.085 3.866 1.00 0.03 O ATOM 461 CB GLU A 41 -7.310 8.279 2.313 1.00 70.30 C ATOM 462 CG GLU A 41 -5.927 7.673 2.295 1.00 43.41 C ATOM 463 CD GLU A 41 -5.531 7.313 0.872 1.00 20.35 C ATOM 464 OE1 GLU A 41 -5.724 6.151 0.473 1.00 55.20 O ATOM 465 OE2 GLU A 41 -5.075 8.218 0.118 1.00 24.01 O1- ATOM 0 H GLU A 41 -5.998 9.368 4.381 1.00 35.42 H new ATOM 0 HA GLU A 41 -8.666 9.447 3.415 1.00 75.24 H new ATOM 0 HB2 GLU A 41 -8.004 7.544 1.904 1.00 70.30 H new ATOM 0 HB3 GLU A 41 -7.312 9.131 1.634 1.00 70.30 H new ATOM 0 HG2 GLU A 41 -5.208 8.377 2.713 1.00 43.41 H new ATOM 0 HG3 GLU A 41 -5.904 6.783 2.923 1.00 43.41 H new ATOM 472 N GLU A 42 -8.556 7.643 5.752 1.00 22.42 N ATOM 473 CA GLU A 42 -9.379 6.708 6.524 1.00 15.11 C ATOM 474 C GLU A 42 -10.647 7.443 7.001 1.00 14.14 C ATOM 475 O GLU A 42 -11.563 6.847 7.568 1.00 15.14 O ATOM 476 CB GLU A 42 -8.608 6.109 7.738 1.00 43.24 C ATOM 477 CG GLU A 42 -8.464 7.030 8.957 1.00 64.21 C ATOM 478 CD GLU A 42 -7.556 8.187 8.713 1.00 13.41 C ATOM 479 OE1 GLU A 42 -7.912 9.084 7.927 1.00 74.32 O ATOM 480 OE2 GLU A 42 -6.458 8.195 9.263 1.00 74.12 O1- ATOM 0 H GLU A 42 -7.893 8.192 6.298 1.00 22.42 H new ATOM 0 HA GLU A 42 -9.647 5.871 5.880 1.00 15.11 H new ATOM 0 HB2 GLU A 42 -9.116 5.197 8.053 1.00 43.24 H new ATOM 0 HB3 GLU A 42 -7.611 5.820 7.405 1.00 43.24 H new ATOM 0 HG2 GLU A 42 -9.448 7.402 9.242 1.00 64.21 H new ATOM 0 HG3 GLU A 42 -8.086 6.451 9.800 1.00 64.21 H new ATOM 487 N SER A 43 -10.658 8.741 6.764 1.00 4.10 N ATOM 488 CA SER A 43 -11.742 9.613 7.134 1.00 72.24 C ATOM 489 C SER A 43 -13.025 9.285 6.328 1.00 22.01 C ATOM 490 O SER A 43 -12.976 8.975 5.105 1.00 43.34 O ATOM 491 CB SER A 43 -11.296 11.072 6.916 1.00 74.14 C ATOM 492 OG SER A 43 -12.221 12.015 7.430 1.00 42.32 O ATOM 0 H SER A 43 -9.891 9.224 6.297 1.00 4.10 H new ATOM 0 HA SER A 43 -11.988 9.465 8.186 1.00 72.24 H new ATOM 0 HB2 SER A 43 -10.327 11.225 7.391 1.00 74.14 H new ATOM 0 HB3 SER A 43 -11.159 11.249 5.849 1.00 74.14 H new ATOM 0 HG SER A 43 -11.765 12.868 7.588 1.00 42.32 H new ATOM 498 N ASN A 44 -14.158 9.340 7.020 1.00 52.13 N ATOM 499 CA ASN A 44 -15.460 9.064 6.435 1.00 12.12 C ATOM 500 C ASN A 44 -16.005 10.341 5.821 1.00 12.52 C ATOM 501 O ASN A 44 -16.369 11.284 6.522 1.00 43.33 O ATOM 502 CB ASN A 44 -16.435 8.502 7.497 1.00 61.44 C ATOM 503 CG ASN A 44 -17.819 8.102 6.947 1.00 74.03 C ATOM 504 OD1 ASN A 44 -18.338 8.679 5.992 1.00 5.13 O ATOM 505 ND2 ASN A 44 -18.423 7.109 7.555 1.00 2.32 N ATOM 0 H ASN A 44 -14.196 9.580 8.011 1.00 52.13 H new ATOM 0 HA ASN A 44 -15.354 8.306 5.659 1.00 12.12 H new ATOM 0 HB2 ASN A 44 -15.979 7.630 7.966 1.00 61.44 H new ATOM 0 HB3 ASN A 44 -16.571 9.249 8.279 1.00 61.44 H new ATOM 0 HD21 ASN A 44 -19.342 6.800 7.238 1.00 2.32 H new ATOM 0 HD22 ASN A 44 -17.974 6.645 8.345 1.00 2.32 H new ATOM 512 N LEU A 45 -16.088 10.344 4.520 1.00 4.25 N ATOM 513 CA LEU A 45 -16.467 11.522 3.760 1.00 61.14 C ATOM 514 C LEU A 45 -17.955 11.847 3.846 1.00 24.13 C ATOM 515 O LEU A 45 -18.347 12.990 3.636 1.00 50.32 O ATOM 516 CB LEU A 45 -16.030 11.358 2.319 1.00 24.25 C ATOM 517 CG LEU A 45 -14.535 11.117 2.122 1.00 1.22 C ATOM 518 CD1 LEU A 45 -14.233 10.865 0.677 1.00 20.33 C ATOM 519 CD2 LEU A 45 -13.717 12.295 2.637 1.00 2.54 C ATOM 0 H LEU A 45 -15.894 9.525 3.943 1.00 4.25 H new ATOM 0 HA LEU A 45 -15.954 12.373 4.208 1.00 61.14 H new ATOM 0 HB2 LEU A 45 -16.578 10.524 1.881 1.00 24.25 H new ATOM 0 HB3 LEU A 45 -16.315 12.252 1.765 1.00 24.25 H new ATOM 0 HG LEU A 45 -14.257 10.235 2.698 1.00 1.22 H new ATOM 0 HD11 LEU A 45 -13.163 10.695 0.553 1.00 20.33 H new ATOM 0 HD12 LEU A 45 -14.782 9.986 0.339 1.00 20.33 H new ATOM 0 HD13 LEU A 45 -14.534 11.730 0.086 1.00 20.33 H new ATOM 0 HD21 LEU A 45 -12.656 12.096 2.484 1.00 2.54 H new ATOM 0 HD22 LEU A 45 -13.999 13.198 2.095 1.00 2.54 H new ATOM 0 HD23 LEU A 45 -13.910 12.435 3.701 1.00 2.54 H new ATOM 531 N ILE A 46 -18.774 10.870 4.187 1.00 31.22 N ATOM 532 CA ILE A 46 -20.215 11.104 4.301 1.00 5.42 C ATOM 533 C ILE A 46 -20.470 11.943 5.549 1.00 20.21 C ATOM 534 O ILE A 46 -21.269 12.869 5.542 1.00 33.43 O ATOM 535 CB ILE A 46 -21.017 9.766 4.378 1.00 24.31 C ATOM 536 CG1 ILE A 46 -20.786 8.903 3.121 1.00 44.43 C ATOM 537 CG2 ILE A 46 -22.513 10.013 4.594 1.00 54.11 C ATOM 538 CD1 ILE A 46 -21.240 9.527 1.821 1.00 3.04 C ATOM 0 H ILE A 46 -18.478 9.915 4.389 1.00 31.22 H new ATOM 0 HA ILE A 46 -20.557 11.630 3.410 1.00 5.42 H new ATOM 0 HB ILE A 46 -20.642 9.218 5.243 1.00 24.31 H new ATOM 0 HG12 ILE A 46 -19.722 8.677 3.045 1.00 44.43 H new ATOM 0 HG13 ILE A 46 -21.305 7.954 3.251 1.00 44.43 H new ATOM 0 HG21 ILE A 46 -23.036 9.058 4.642 1.00 54.11 H new ATOM 0 HG22 ILE A 46 -22.661 10.555 5.528 1.00 54.11 H new ATOM 0 HG23 ILE A 46 -22.908 10.602 3.766 1.00 54.11 H new ATOM 0 HD11 ILE A 46 -21.034 8.843 0.998 1.00 3.04 H new ATOM 0 HD12 ILE A 46 -22.310 9.727 1.868 1.00 3.04 H new ATOM 0 HD13 ILE A 46 -20.703 10.462 1.659 1.00 3.04 H new ATOM 550 N GLN A 47 -19.690 11.667 6.578 1.00 11.30 N ATOM 551 CA GLN A 47 -19.800 12.367 7.850 1.00 71.50 C ATOM 552 C GLN A 47 -19.113 13.718 7.755 1.00 64.31 C ATOM 553 O GLN A 47 -19.324 14.597 8.580 1.00 3.15 O ATOM 554 CB GLN A 47 -19.176 11.548 8.987 1.00 42.11 C ATOM 555 CG GLN A 47 -19.773 10.158 9.176 1.00 75.25 C ATOM 556 CD GLN A 47 -21.272 10.177 9.393 1.00 0.34 C ATOM 557 OE1 GLN A 47 -22.043 10.091 8.457 1.00 3.51 O ATOM 558 NE2 GLN A 47 -21.690 10.298 10.626 1.00 33.14 N ATOM 0 H GLN A 47 -18.962 10.953 6.558 1.00 11.30 H new ATOM 0 HA GLN A 47 -20.858 12.509 8.071 1.00 71.50 H new ATOM 0 HB2 GLN A 47 -18.107 11.446 8.799 1.00 42.11 H new ATOM 0 HB3 GLN A 47 -19.284 12.104 9.918 1.00 42.11 H new ATOM 0 HG2 GLN A 47 -19.547 9.550 8.300 1.00 75.25 H new ATOM 0 HG3 GLN A 47 -19.295 9.677 10.029 1.00 75.25 H new ATOM 0 HE21 GLN A 47 -21.016 10.368 11.388 1.00 33.14 H new ATOM 0 HE22 GLN A 47 -22.690 10.323 10.825 1.00 33.14 H new ATOM 567 N ALA A 48 -18.273 13.857 6.745 1.00 44.11 N ATOM 568 CA ALA A 48 -17.580 15.097 6.485 1.00 34.13 C ATOM 569 C ALA A 48 -18.477 16.032 5.689 1.00 52.10 C ATOM 570 O ALA A 48 -18.223 17.228 5.599 1.00 34.41 O ATOM 571 CB ALA A 48 -16.282 14.837 5.743 1.00 34.01 C ATOM 0 H ALA A 48 -18.055 13.111 6.084 1.00 44.11 H new ATOM 0 HA ALA A 48 -17.335 15.571 7.435 1.00 34.13 H new ATOM 0 HB1 ALA A 48 -15.774 15.783 5.556 1.00 34.01 H new ATOM 0 HB2 ALA A 48 -15.641 14.194 6.346 1.00 34.01 H new ATOM 0 HB3 ALA A 48 -16.498 14.347 4.793 1.00 34.01 H new ATOM 577 N GLY A 49 -19.513 15.463 5.100 1.00 25.42 N ATOM 578 CA GLY A 49 -20.486 16.246 4.394 1.00 74.23 C ATOM 579 C GLY A 49 -20.338 16.228 2.883 1.00 1.42 C ATOM 580 O GLY A 49 -20.725 17.186 2.211 1.00 33.44 O ATOM 0 H GLY A 49 -19.694 14.459 5.102 1.00 25.42 H new ATOM 0 HA2 GLY A 49 -21.481 15.884 4.653 1.00 74.23 H new ATOM 0 HA3 GLY A 49 -20.423 17.278 4.740 1.00 74.23 H new ATOM 584 N LEU A 50 -19.764 15.165 2.340 1.00 45.21 N ATOM 585 CA LEU A 50 -19.677 15.004 0.914 1.00 12.42 C ATOM 586 C LEU A 50 -21.050 14.632 0.454 1.00 73.31 C ATOM 587 O LEU A 50 -21.574 13.586 0.854 1.00 33.35 O ATOM 588 CB LEU A 50 -18.711 13.886 0.582 1.00 54.14 C ATOM 589 CG LEU A 50 -17.958 14.071 -0.710 1.00 71.34 C ATOM 590 CD1 LEU A 50 -16.890 15.163 -0.608 1.00 73.03 C ATOM 591 CD2 LEU A 50 -17.370 12.798 -1.164 1.00 30.11 C ATOM 0 H LEU A 50 -19.352 14.402 2.877 1.00 45.21 H new ATOM 0 HA LEU A 50 -19.322 15.914 0.430 1.00 12.42 H new ATOM 0 HB2 LEU A 50 -17.992 13.791 1.396 1.00 54.14 H new ATOM 0 HB3 LEU A 50 -19.264 12.948 0.534 1.00 54.14 H new ATOM 0 HG LEU A 50 -18.681 14.402 -1.456 1.00 71.34 H new ATOM 0 HD11 LEU A 50 -16.375 15.259 -1.564 1.00 73.03 H new ATOM 0 HD12 LEU A 50 -17.363 16.112 -0.354 1.00 73.03 H new ATOM 0 HD13 LEU A 50 -16.171 14.897 0.167 1.00 73.03 H new ATOM 0 HD21 LEU A 50 -16.832 12.958 -2.098 1.00 30.11 H new ATOM 0 HD22 LEU A 50 -16.680 12.426 -0.407 1.00 30.11 H new ATOM 0 HD23 LEU A 50 -18.163 12.067 -1.323 1.00 30.11 H new ATOM 603 N ASP A 51 -21.652 15.472 -0.355 1.00 13.43 N ATOM 604 CA ASP A 51 -23.032 15.236 -0.734 1.00 72.41 C ATOM 605 C ASP A 51 -23.092 14.166 -1.792 1.00 25.31 C ATOM 606 O ASP A 51 -22.076 13.832 -2.405 1.00 70.23 O ATOM 607 CB ASP A 51 -23.728 16.524 -1.193 1.00 40.32 C ATOM 608 CG ASP A 51 -23.086 17.122 -2.404 1.00 25.31 C ATOM 609 OD1 ASP A 51 -22.153 17.946 -2.248 1.00 64.30 O ATOM 610 OD2 ASP A 51 -23.461 16.740 -3.516 1.00 2.54 O1- ATOM 0 H ASP A 51 -21.224 16.306 -0.757 1.00 13.43 H new ATOM 0 HA ASP A 51 -23.576 14.890 0.145 1.00 72.41 H new ATOM 0 HB2 ASP A 51 -24.775 16.310 -1.409 1.00 40.32 H new ATOM 0 HB3 ASP A 51 -23.712 17.251 -0.381 1.00 40.32 H new ATOM 615 N SER A 52 -24.253 13.620 -2.020 1.00 51.41 N ATOM 616 CA SER A 52 -24.377 12.540 -2.952 1.00 75.52 C ATOM 617 C SER A 52 -24.186 12.987 -4.403 1.00 74.40 C ATOM 618 O SER A 52 -23.864 12.163 -5.273 1.00 43.34 O ATOM 619 CB SER A 52 -25.687 11.839 -2.772 1.00 13.22 C ATOM 620 OG SER A 52 -25.916 11.565 -1.397 1.00 44.15 O ATOM 0 H SER A 52 -25.124 13.906 -1.573 1.00 51.41 H new ATOM 0 HA SER A 52 -23.571 11.838 -2.737 1.00 75.52 H new ATOM 0 HB2 SER A 52 -26.494 12.456 -3.166 1.00 13.22 H new ATOM 0 HB3 SER A 52 -25.690 10.909 -3.340 1.00 13.22 H new ATOM 0 HG SER A 52 -26.777 11.108 -1.293 1.00 44.15 H new ATOM 626 N ILE A 53 -24.339 14.282 -4.683 1.00 63.51 N ATOM 627 CA ILE A 53 -24.081 14.734 -6.017 1.00 34.34 C ATOM 628 C ILE A 53 -22.600 14.793 -6.177 1.00 72.35 C ATOM 629 O ILE A 53 -22.083 14.354 -7.181 1.00 13.04 O ATOM 630 CB ILE A 53 -24.681 16.114 -6.382 1.00 35.03 C ATOM 631 CG1 ILE A 53 -26.210 16.128 -6.148 1.00 1.14 C ATOM 632 CG2 ILE A 53 -24.352 16.440 -7.862 1.00 71.15 C ATOM 633 CD1 ILE A 53 -26.988 15.095 -6.955 1.00 74.14 C ATOM 0 H ILE A 53 -24.630 15.000 -4.020 1.00 63.51 H new ATOM 0 HA ILE A 53 -24.569 14.030 -6.691 1.00 34.34 H new ATOM 0 HB ILE A 53 -24.240 16.876 -5.739 1.00 35.03 H new ATOM 0 HG12 ILE A 53 -26.403 15.961 -5.088 1.00 1.14 H new ATOM 0 HG13 ILE A 53 -26.592 17.120 -6.389 1.00 1.14 H new ATOM 0 HG21 ILE A 53 -24.773 17.411 -8.123 1.00 71.15 H new ATOM 0 HG22 ILE A 53 -23.271 16.465 -7.997 1.00 71.15 H new ATOM 0 HG23 ILE A 53 -24.781 15.673 -8.507 1.00 71.15 H new ATOM 0 HD11 ILE A 53 -28.050 15.179 -6.726 1.00 74.14 H new ATOM 0 HD12 ILE A 53 -26.831 15.271 -8.019 1.00 74.14 H new ATOM 0 HD13 ILE A 53 -26.640 14.095 -6.698 1.00 74.14 H new ATOM 645 N ARG A 54 -21.924 15.294 -5.143 1.00 35.54 N ATOM 646 CA ARG A 54 -20.478 15.374 -5.071 1.00 63.51 C ATOM 647 C ARG A 54 -19.922 13.985 -5.305 1.00 65.42 C ATOM 648 O ARG A 54 -19.040 13.770 -6.133 1.00 4.44 O ATOM 649 CB ARG A 54 -20.096 15.768 -3.655 1.00 62.00 C ATOM 650 CG ARG A 54 -18.759 16.403 -3.514 1.00 14.52 C ATOM 651 CD ARG A 54 -18.844 17.844 -3.906 1.00 33.14 C ATOM 652 NE ARG A 54 -19.723 18.587 -3.015 1.00 44.14 N ATOM 653 CZ ARG A 54 -19.394 19.673 -2.341 1.00 45.44 C ATOM 654 NH1 ARG A 54 -18.212 20.284 -2.548 1.00 32.43 N1+ ATOM 655 NH2 ARG A 54 -20.279 20.176 -1.490 1.00 53.21 N ATOM 0 H ARG A 54 -22.387 15.664 -4.313 1.00 35.54 H new ATOM 0 HA ARG A 54 -20.098 16.089 -5.801 1.00 63.51 H new ATOM 0 HB2 ARG A 54 -20.849 16.455 -3.270 1.00 62.00 H new ATOM 0 HB3 ARG A 54 -20.126 14.878 -3.027 1.00 62.00 H new ATOM 0 HG2 ARG A 54 -18.410 16.316 -2.485 1.00 14.52 H new ATOM 0 HG3 ARG A 54 -18.032 15.887 -4.142 1.00 14.52 H new ATOM 0 HD2 ARG A 54 -17.848 18.286 -3.889 1.00 33.14 H new ATOM 0 HD3 ARG A 54 -19.210 17.923 -4.930 1.00 33.14 H new ATOM 0 HE ARG A 54 -20.675 18.238 -2.902 1.00 44.14 H new ATOM 0 HH11 ARG A 54 -17.557 19.908 -3.233 1.00 32.43 H new ATOM 0 HH12 ARG A 54 -17.972 21.123 -2.019 1.00 32.43 H new ATOM 0 HH21 ARG A 54 -21.186 19.724 -1.371 1.00 53.21 H new ATOM 0 HH22 ARG A 54 -20.053 21.015 -0.955 1.00 53.21 H new ATOM 669 N LEU A 55 -20.515 13.059 -4.586 1.00 11.13 N ATOM 670 CA LEU A 55 -20.170 11.666 -4.590 1.00 72.11 C ATOM 671 C LEU A 55 -20.252 11.099 -6.013 1.00 1.01 C ATOM 672 O LEU A 55 -19.320 10.463 -6.494 1.00 31.02 O ATOM 673 CB LEU A 55 -21.134 10.938 -3.632 1.00 73.32 C ATOM 674 CG LEU A 55 -20.704 9.576 -3.082 1.00 74.51 C ATOM 675 CD1 LEU A 55 -19.245 9.589 -2.690 1.00 34.22 C ATOM 676 CD2 LEU A 55 -21.505 9.287 -1.842 1.00 44.15 C ATOM 0 H LEU A 55 -21.287 13.273 -3.954 1.00 11.13 H new ATOM 0 HA LEU A 55 -19.144 11.522 -4.251 1.00 72.11 H new ATOM 0 HB2 LEU A 55 -21.323 11.596 -2.784 1.00 73.32 H new ATOM 0 HB3 LEU A 55 -22.083 10.805 -4.150 1.00 73.32 H new ATOM 0 HG LEU A 55 -20.866 8.824 -3.854 1.00 74.51 H new ATOM 0 HD11 LEU A 55 -18.964 8.610 -2.302 1.00 34.22 H new ATOM 0 HD12 LEU A 55 -18.636 9.822 -3.563 1.00 34.22 H new ATOM 0 HD13 LEU A 55 -19.081 10.344 -1.921 1.00 34.22 H new ATOM 0 HD21 LEU A 55 -21.211 8.319 -1.436 1.00 44.15 H new ATOM 0 HD22 LEU A 55 -21.319 10.063 -1.100 1.00 44.15 H new ATOM 0 HD23 LEU A 55 -22.566 9.269 -2.090 1.00 44.15 H new ATOM 688 N MET A 56 -21.338 11.390 -6.710 1.00 2.10 N ATOM 689 CA MET A 56 -21.493 10.886 -8.065 1.00 50.43 C ATOM 690 C MET A 56 -20.749 11.737 -9.074 1.00 50.32 C ATOM 691 O MET A 56 -20.509 11.290 -10.197 1.00 70.33 O ATOM 692 CB MET A 56 -22.947 10.730 -8.488 1.00 22.24 C ATOM 693 CG MET A 56 -23.727 12.016 -8.515 1.00 11.01 C ATOM 694 SD MET A 56 -25.368 11.815 -9.202 1.00 41.10 S ATOM 695 CE MET A 56 -26.029 10.576 -8.075 1.00 62.00 C ATOM 0 H MET A 56 -22.111 11.961 -6.369 1.00 2.10 H new ATOM 0 HA MET A 56 -21.051 9.890 -8.050 1.00 50.43 H new ATOM 0 HB2 MET A 56 -22.978 10.279 -9.480 1.00 22.24 H new ATOM 0 HB3 MET A 56 -23.438 10.035 -7.807 1.00 22.24 H new ATOM 0 HG2 MET A 56 -23.808 12.409 -7.501 1.00 11.01 H new ATOM 0 HG3 MET A 56 -23.181 12.755 -9.101 1.00 11.01 H new ATOM 0 HE1 MET A 56 -27.117 10.563 -8.146 1.00 62.00 H new ATOM 0 HE2 MET A 56 -25.636 9.595 -8.342 1.00 62.00 H new ATOM 0 HE3 MET A 56 -25.735 10.819 -7.054 1.00 62.00 H new ATOM 705 N ARG A 57 -20.402 12.975 -8.706 1.00 45.32 N ATOM 706 CA ARG A 57 -19.620 13.806 -9.591 1.00 23.44 C ATOM 707 C ARG A 57 -18.280 13.144 -9.774 1.00 21.34 C ATOM 708 O ARG A 57 -17.754 13.057 -10.877 1.00 22.34 O ATOM 709 CB ARG A 57 -19.396 15.242 -9.072 1.00 43.04 C ATOM 710 CG ARG A 57 -20.628 16.147 -9.013 1.00 31.33 C ATOM 711 CD ARG A 57 -21.418 16.181 -10.330 1.00 15.24 C ATOM 712 NE ARG A 57 -22.344 15.025 -10.469 1.00 74.15 N ATOM 713 CZ ARG A 57 -22.776 14.492 -11.636 1.00 71.12 C ATOM 714 NH1 ARG A 57 -22.233 14.879 -12.799 1.00 40.22 N1+ ATOM 715 NH2 ARG A 57 -23.738 13.553 -11.632 1.00 25.52 N ATOM 0 H ARG A 57 -20.651 13.406 -7.816 1.00 45.32 H new ATOM 0 HA ARG A 57 -20.176 13.901 -10.524 1.00 23.44 H new ATOM 0 HB2 ARG A 57 -18.970 15.180 -8.071 1.00 43.04 H new ATOM 0 HB3 ARG A 57 -18.651 15.722 -9.706 1.00 43.04 H new ATOM 0 HG2 ARG A 57 -21.284 15.805 -8.212 1.00 31.33 H new ATOM 0 HG3 ARG A 57 -20.315 17.160 -8.758 1.00 31.33 H new ATOM 0 HD2 ARG A 57 -21.989 17.108 -10.384 1.00 15.24 H new ATOM 0 HD3 ARG A 57 -20.721 16.187 -11.168 1.00 15.24 H new ATOM 0 HE ARG A 57 -22.684 14.596 -9.608 1.00 74.15 H new ATOM 0 HH11 ARG A 57 -21.491 15.578 -12.808 1.00 40.22 H new ATOM 0 HH12 ARG A 57 -22.562 14.474 -13.675 1.00 40.22 H new ATOM 0 HH21 ARG A 57 -24.143 13.242 -10.749 1.00 25.52 H new ATOM 0 HH22 ARG A 57 -24.063 13.152 -12.512 1.00 25.52 H new ATOM 729 N TRP A 58 -17.780 12.616 -8.662 1.00 14.23 N ATOM 730 CA TRP A 58 -16.533 11.901 -8.619 1.00 32.33 C ATOM 731 C TRP A 58 -16.526 10.663 -9.497 1.00 12.24 C ATOM 732 O TRP A 58 -15.509 10.347 -10.091 1.00 70.42 O ATOM 733 CB TRP A 58 -16.147 11.535 -7.201 1.00 61.11 C ATOM 734 CG TRP A 58 -15.603 12.665 -6.381 1.00 42.52 C ATOM 735 CD1 TRP A 58 -15.994 13.039 -5.128 1.00 4.13 C ATOM 736 CD2 TRP A 58 -14.556 13.565 -6.761 1.00 20.14 C ATOM 737 NE1 TRP A 58 -15.213 14.054 -4.675 1.00 41.11 N ATOM 738 CE2 TRP A 58 -14.322 14.412 -5.674 1.00 2.12 C ATOM 739 CE3 TRP A 58 -13.779 13.721 -7.914 1.00 25.13 C ATOM 740 CZ2 TRP A 58 -13.330 15.395 -5.713 1.00 22.45 C ATOM 741 CZ3 TRP A 58 -12.818 14.698 -7.944 1.00 1.04 C ATOM 742 CH2 TRP A 58 -12.598 15.514 -6.851 1.00 22.42 C ATOM 0 H TRP A 58 -18.246 12.680 -7.757 1.00 14.23 H new ATOM 0 HA TRP A 58 -15.788 12.588 -9.021 1.00 32.33 H new ATOM 0 HB2 TRP A 58 -17.023 11.128 -6.696 1.00 61.11 H new ATOM 0 HB3 TRP A 58 -15.402 10.740 -7.237 1.00 61.11 H new ATOM 0 HD1 TRP A 58 -16.808 12.592 -4.576 1.00 4.13 H new ATOM 0 HE1 TRP A 58 -15.273 14.482 -3.751 1.00 41.11 H new ATOM 0 HE3 TRP A 58 -13.934 13.080 -8.769 1.00 25.13 H new ATOM 0 HZ2 TRP A 58 -13.151 16.040 -4.865 1.00 22.45 H new ATOM 0 HZ3 TRP A 58 -12.224 14.832 -8.836 1.00 1.04 H new ATOM 0 HH2 TRP A 58 -11.824 16.266 -6.903 1.00 22.42 H new ATOM 753 N LEU A 59 -17.664 9.974 -9.595 1.00 31.51 N ATOM 754 CA LEU A 59 -17.776 8.779 -10.451 1.00 12.21 C ATOM 755 C LEU A 59 -17.379 9.127 -11.888 1.00 64.43 C ATOM 756 O LEU A 59 -16.666 8.370 -12.565 1.00 65.03 O ATOM 757 CB LEU A 59 -19.211 8.228 -10.445 1.00 71.32 C ATOM 758 CG LEU A 59 -19.439 6.973 -11.290 1.00 72.41 C ATOM 759 CD1 LEU A 59 -18.681 5.787 -10.729 1.00 72.22 C ATOM 760 CD2 LEU A 59 -20.913 6.655 -11.432 1.00 60.32 C ATOM 0 H LEU A 59 -18.521 10.217 -9.097 1.00 31.51 H new ATOM 0 HA LEU A 59 -17.105 8.017 -10.054 1.00 12.21 H new ATOM 0 HB2 LEU A 59 -19.492 8.007 -9.415 1.00 71.32 H new ATOM 0 HB3 LEU A 59 -19.883 9.010 -10.799 1.00 71.32 H new ATOM 0 HG LEU A 59 -19.049 7.180 -12.287 1.00 72.41 H new ATOM 0 HD11 LEU A 59 -18.864 4.911 -11.351 1.00 72.22 H new ATOM 0 HD12 LEU A 59 -17.614 6.009 -10.719 1.00 72.22 H new ATOM 0 HD13 LEU A 59 -19.020 5.587 -9.712 1.00 72.22 H new ATOM 0 HD21 LEU A 59 -21.035 5.757 -12.038 1.00 60.32 H new ATOM 0 HD22 LEU A 59 -21.346 6.488 -10.446 1.00 60.32 H new ATOM 0 HD23 LEU A 59 -21.421 7.490 -11.914 1.00 60.32 H new ATOM 772 N HIS A 60 -17.790 10.308 -12.306 1.00 1.33 N ATOM 773 CA HIS A 60 -17.517 10.814 -13.639 1.00 44.32 C ATOM 774 C HIS A 60 -16.041 11.153 -13.766 1.00 22.53 C ATOM 775 O HIS A 60 -15.449 11.012 -14.826 1.00 4.34 O ATOM 776 CB HIS A 60 -18.378 12.061 -13.927 1.00 21.14 C ATOM 777 CG HIS A 60 -19.865 11.806 -14.008 1.00 22.33 C ATOM 778 ND1 HIS A 60 -20.667 11.476 -12.927 1.00 4.22 N ATOM 779 CD2 HIS A 60 -20.695 11.842 -15.076 1.00 30.52 C ATOM 780 CE1 HIS A 60 -21.912 11.324 -13.368 1.00 40.32 C ATOM 781 NE2 HIS A 60 -21.990 11.539 -14.659 1.00 55.43 N ATOM 0 H HIS A 60 -18.328 10.951 -11.725 1.00 1.33 H new ATOM 0 HA HIS A 60 -17.770 10.045 -14.369 1.00 44.32 H new ATOM 0 HB2 HIS A 60 -18.193 12.799 -13.147 1.00 21.14 H new ATOM 0 HB3 HIS A 60 -18.049 12.502 -14.868 1.00 21.14 H new ATOM 0 HD1 HIS A 60 -20.356 11.368 -11.961 1.00 4.22 H new ATOM 0 HD2 HIS A 60 -20.401 12.069 -16.090 1.00 30.52 H new ATOM 0 HE1 HIS A 60 -22.751 11.058 -12.743 1.00 40.32 H new ATOM 789 N TRP A 61 -15.445 11.549 -12.654 1.00 72.31 N ATOM 790 CA TRP A 61 -14.051 11.925 -12.618 1.00 71.32 C ATOM 791 C TRP A 61 -13.166 10.676 -12.786 1.00 52.21 C ATOM 792 O TRP A 61 -12.089 10.749 -13.365 1.00 11.33 O ATOM 793 CB TRP A 61 -13.724 12.663 -11.312 1.00 53.10 C ATOM 794 CG TRP A 61 -12.410 13.384 -11.339 1.00 51.22 C ATOM 795 CD1 TRP A 61 -12.216 14.699 -11.613 1.00 61.40 C ATOM 796 CD2 TRP A 61 -11.117 12.836 -11.089 1.00 41.00 C ATOM 797 NE1 TRP A 61 -10.885 15.001 -11.570 1.00 72.33 N ATOM 798 CE2 TRP A 61 -10.189 13.876 -11.248 1.00 70.35 C ATOM 799 CE3 TRP A 61 -10.656 11.567 -10.754 1.00 25.44 C ATOM 800 CZ2 TRP A 61 -8.835 13.685 -11.085 1.00 62.03 C ATOM 801 CZ3 TRP A 61 -9.317 11.383 -10.593 1.00 2.45 C ATOM 802 CH2 TRP A 61 -8.421 12.434 -10.759 1.00 11.12 C ATOM 0 H TRP A 61 -15.918 11.617 -11.753 1.00 72.31 H new ATOM 0 HA TRP A 61 -13.846 12.606 -13.444 1.00 71.32 H new ATOM 0 HB2 TRP A 61 -14.517 13.380 -11.102 1.00 53.10 H new ATOM 0 HB3 TRP A 61 -13.718 11.945 -10.492 1.00 53.10 H new ATOM 0 HD1 TRP A 61 -13.002 15.406 -11.834 1.00 61.40 H new ATOM 0 HE1 TRP A 61 -10.479 15.919 -11.750 1.00 72.33 H new ATOM 0 HE3 TRP A 61 -11.345 10.746 -10.625 1.00 25.44 H new ATOM 0 HZ2 TRP A 61 -8.133 14.496 -11.211 1.00 62.03 H new ATOM 0 HZ3 TRP A 61 -8.944 10.404 -10.332 1.00 2.45 H new ATOM 0 HH2 TRP A 61 -7.365 12.249 -10.625 1.00 11.12 H new ATOM 813 N PHE A 62 -13.607 9.544 -12.268 1.00 4.51 N ATOM 814 CA PHE A 62 -12.891 8.288 -12.504 1.00 41.11 C ATOM 815 C PHE A 62 -13.030 7.920 -13.964 1.00 63.32 C ATOM 816 O PHE A 62 -12.038 7.860 -14.715 1.00 43.43 O ATOM 817 CB PHE A 62 -13.460 7.134 -11.666 1.00 73.21 C ATOM 818 CG PHE A 62 -13.213 7.190 -10.188 1.00 64.24 C ATOM 819 CD1 PHE A 62 -12.157 6.498 -9.627 1.00 20.21 C ATOM 820 CD2 PHE A 62 -14.060 7.891 -9.354 1.00 2.33 C ATOM 821 CE1 PHE A 62 -11.954 6.512 -8.260 1.00 13.52 C ATOM 822 CE2 PHE A 62 -13.861 7.914 -7.994 1.00 33.45 C ATOM 823 CZ PHE A 62 -12.807 7.223 -7.446 1.00 5.13 C ATOM 0 H PHE A 62 -14.443 9.460 -11.689 1.00 4.51 H new ATOM 0 HA PHE A 62 -11.849 8.439 -12.221 1.00 41.11 H new ATOM 0 HB2 PHE A 62 -14.537 7.093 -11.830 1.00 73.21 H new ATOM 0 HB3 PHE A 62 -13.044 6.201 -12.045 1.00 73.21 H new ATOM 0 HD1 PHE A 62 -11.484 5.941 -10.262 1.00 20.21 H new ATOM 0 HD2 PHE A 62 -14.894 8.431 -9.777 1.00 2.33 H new ATOM 0 HE1 PHE A 62 -11.127 5.966 -7.831 1.00 13.52 H new ATOM 0 HE2 PHE A 62 -14.531 8.473 -7.358 1.00 33.45 H new ATOM 0 HZ PHE A 62 -12.648 7.238 -6.378 1.00 5.13 H new ATOM 833 N ARG A 63 -14.282 7.763 -14.372 1.00 62.45 N ATOM 834 CA ARG A 63 -14.670 7.341 -15.719 1.00 33.14 C ATOM 835 C ARG A 63 -14.036 8.235 -16.820 1.00 73.21 C ATOM 836 O ARG A 63 -13.819 7.782 -17.938 1.00 42.32 O ATOM 837 CB ARG A 63 -16.208 7.286 -15.795 1.00 33.12 C ATOM 838 CG ARG A 63 -16.857 6.177 -14.961 1.00 71.03 C ATOM 839 CD ARG A 63 -17.053 4.892 -15.762 1.00 62.12 C ATOM 840 NE ARG A 63 -15.797 4.360 -16.327 1.00 14.32 N ATOM 841 CZ ARG A 63 -15.669 3.768 -17.526 1.00 34.04 C ATOM 842 NH1 ARG A 63 -16.733 3.632 -18.332 1.00 4.30 N1+ ATOM 843 NH2 ARG A 63 -14.474 3.317 -17.921 1.00 73.23 N ATOM 0 H ARG A 63 -15.081 7.929 -13.761 1.00 62.45 H new ATOM 0 HA ARG A 63 -14.278 6.343 -15.914 1.00 33.14 H new ATOM 0 HB2 ARG A 63 -16.608 8.246 -15.469 1.00 33.12 H new ATOM 0 HB3 ARG A 63 -16.501 7.156 -16.837 1.00 33.12 H new ATOM 0 HG2 ARG A 63 -16.235 5.969 -14.090 1.00 71.03 H new ATOM 0 HG3 ARG A 63 -17.822 6.522 -14.589 1.00 71.03 H new ATOM 0 HD2 ARG A 63 -17.503 4.136 -15.119 1.00 62.12 H new ATOM 0 HD3 ARG A 63 -17.757 5.081 -16.573 1.00 62.12 H new ATOM 0 HE ARG A 63 -14.955 4.450 -15.759 1.00 14.32 H new ATOM 0 HH11 ARG A 63 -17.645 3.979 -18.035 1.00 4.30 H new ATOM 0 HH12 ARG A 63 -16.630 3.182 -19.241 1.00 4.30 H new ATOM 0 HH21 ARG A 63 -13.662 3.423 -17.312 1.00 73.23 H new ATOM 0 HH22 ARG A 63 -14.374 2.867 -18.831 1.00 73.23 H new ATOM 857 N LYS A 64 -13.701 9.473 -16.428 1.00 24.21 N ATOM 858 CA LYS A 64 -12.963 10.490 -17.215 1.00 30.01 C ATOM 859 C LYS A 64 -11.793 9.899 -17.993 1.00 22.44 C ATOM 860 O LYS A 64 -11.646 10.125 -19.178 1.00 64.50 O ATOM 861 CB LYS A 64 -12.357 11.481 -16.197 1.00 1.12 C ATOM 862 CG LYS A 64 -11.350 12.504 -16.733 1.00 25.51 C ATOM 863 CD LYS A 64 -10.581 13.227 -15.590 1.00 41.15 C ATOM 864 CE LYS A 64 -9.339 12.443 -15.019 1.00 41.42 C ATOM 865 NZ LYS A 64 -9.642 11.124 -14.379 1.00 23.41 N1+ ATOM 0 H LYS A 64 -13.949 9.818 -15.501 1.00 24.21 H new ATOM 0 HA LYS A 64 -13.655 10.942 -17.925 1.00 30.01 H new ATOM 0 HB2 LYS A 64 -13.176 12.026 -15.727 1.00 1.12 H new ATOM 0 HB3 LYS A 64 -11.868 10.903 -15.413 1.00 1.12 H new ATOM 0 HG2 LYS A 64 -10.637 12.001 -17.387 1.00 25.51 H new ATOM 0 HG3 LYS A 64 -11.873 13.243 -17.340 1.00 25.51 H new ATOM 0 HD2 LYS A 64 -10.242 14.196 -15.957 1.00 41.15 H new ATOM 0 HD3 LYS A 64 -11.275 13.421 -14.773 1.00 41.15 H new ATOM 0 HE2 LYS A 64 -8.632 12.278 -15.832 1.00 41.42 H new ATOM 0 HE3 LYS A 64 -8.839 13.076 -14.286 1.00 41.42 H new ATOM 0 HZ1 LYS A 64 -8.828 10.821 -13.807 1.00 23.41 H new ATOM 0 HZ2 LYS A 64 -10.478 11.218 -13.768 1.00 23.41 H new ATOM 0 HZ3 LYS A 64 -9.830 10.415 -15.117 1.00 23.41 H new ATOM 879 N ASN A 65 -10.971 9.149 -17.304 1.00 41.32 N ATOM 880 CA ASN A 65 -9.726 8.671 -17.887 1.00 42.32 C ATOM 881 C ASN A 65 -9.776 7.152 -18.005 1.00 42.55 C ATOM 882 O ASN A 65 -8.780 6.453 -17.943 1.00 71.12 O ATOM 883 CB ASN A 65 -8.542 9.196 -17.026 1.00 42.20 C ATOM 884 CG ASN A 65 -7.152 8.946 -17.613 1.00 74.23 C ATOM 885 OD1 ASN A 65 -6.988 8.808 -18.816 1.00 10.24 O ATOM 886 ND2 ASN A 65 -6.141 9.001 -16.775 1.00 0.24 N ATOM 0 H ASN A 65 -11.133 8.853 -16.342 1.00 41.32 H new ATOM 0 HA ASN A 65 -9.580 9.052 -18.898 1.00 42.32 H new ATOM 0 HB2 ASN A 65 -8.669 10.268 -16.877 1.00 42.20 H new ATOM 0 HB3 ASN A 65 -8.593 8.729 -16.042 1.00 42.20 H new ATOM 0 HD21 ASN A 65 -5.185 8.928 -17.123 1.00 0.24 H new ATOM 0 HD22 ASN A 65 -6.312 9.117 -15.776 1.00 0.24 H new ATOM 893 N GLY A 66 -10.985 6.647 -18.165 1.00 31.35 N ATOM 894 CA GLY A 66 -11.175 5.229 -18.352 1.00 64.52 C ATOM 895 C GLY A 66 -11.359 4.478 -17.054 1.00 61.34 C ATOM 896 O GLY A 66 -11.784 3.305 -17.063 1.00 55.43 O ATOM 0 H GLY A 66 -11.843 7.198 -18.169 1.00 31.35 H new ATOM 0 HA2 GLY A 66 -12.047 5.066 -18.986 1.00 64.52 H new ATOM 0 HA3 GLY A 66 -10.315 4.820 -18.882 1.00 64.52 H new ATOM 900 N TYR A 67 -11.098 5.154 -15.943 1.00 24.11 N ATOM 901 CA TYR A 67 -11.188 4.562 -14.608 1.00 34.33 C ATOM 902 C TYR A 67 -12.569 4.095 -14.319 1.00 1.21 C ATOM 903 O TYR A 67 -13.532 4.555 -14.933 1.00 71.11 O ATOM 904 CB TYR A 67 -10.651 5.493 -13.528 1.00 73.32 C ATOM 905 CG TYR A 67 -9.185 5.665 -13.643 1.00 5.41 C ATOM 906 CD1 TYR A 67 -8.630 6.410 -14.661 1.00 61.42 C ATOM 907 CD2 TYR A 67 -8.355 5.029 -12.780 1.00 22.30 C ATOM 908 CE1 TYR A 67 -7.270 6.500 -14.815 1.00 2.20 C ATOM 909 CE2 TYR A 67 -7.004 5.130 -12.911 1.00 11.22 C ATOM 910 CZ TYR A 67 -6.462 5.855 -13.929 1.00 52.33 C ATOM 911 OH TYR A 67 -5.100 5.908 -14.070 1.00 41.33 O ATOM 0 H TYR A 67 -10.816 6.134 -15.939 1.00 24.11 H new ATOM 0 HA TYR A 67 -10.543 3.684 -14.597 1.00 34.33 H new ATOM 0 HB2 TYR A 67 -11.140 6.464 -13.606 1.00 73.32 H new ATOM 0 HB3 TYR A 67 -10.896 5.091 -12.545 1.00 73.32 H new ATOM 0 HD1 TYR A 67 -9.277 6.932 -15.350 1.00 61.42 H new ATOM 0 HD2 TYR A 67 -8.771 4.435 -11.979 1.00 22.30 H new ATOM 0 HE1 TYR A 67 -6.847 7.074 -15.626 1.00 2.20 H new ATOM 0 HE2 TYR A 67 -6.358 4.632 -12.203 1.00 11.22 H new ATOM 0 HH TYR A 67 -4.676 5.822 -13.190 1.00 41.33 H new ATOM 921 N ARG A 68 -12.695 3.223 -13.393 1.00 63.30 N ATOM 922 CA ARG A 68 -13.937 2.525 -13.262 1.00 11.20 C ATOM 923 C ARG A 68 -14.187 2.060 -11.868 1.00 55.45 C ATOM 924 O ARG A 68 -13.270 1.597 -11.186 1.00 50.43 O ATOM 925 CB ARG A 68 -13.936 1.310 -14.201 1.00 54.34 C ATOM 926 CG ARG A 68 -12.778 0.354 -13.930 1.00 61.44 C ATOM 927 CD ARG A 68 -12.869 -0.900 -14.743 1.00 52.40 C ATOM 928 NE ARG A 68 -12.695 -0.693 -16.192 1.00 34.44 N ATOM 929 CZ ARG A 68 -13.030 -1.637 -17.079 1.00 4.25 C ATOM 930 NH1 ARG A 68 -13.808 -2.615 -16.718 1.00 41.53 N1+ ATOM 931 NH2 ARG A 68 -12.607 -1.593 -18.339 1.00 1.21 N ATOM 0 H ARG A 68 -11.973 2.970 -12.719 1.00 63.30 H new ATOM 0 HA ARG A 68 -14.732 3.223 -13.525 1.00 11.20 H new ATOM 0 HB2 ARG A 68 -14.878 0.772 -14.093 1.00 54.34 H new ATOM 0 HB3 ARG A 68 -13.882 1.655 -15.234 1.00 54.34 H new ATOM 0 HG2 ARG A 68 -11.836 0.858 -14.149 1.00 61.44 H new ATOM 0 HG3 ARG A 68 -12.764 0.097 -12.871 1.00 61.44 H new ATOM 0 HD2 ARG A 68 -12.112 -1.602 -14.394 1.00 52.40 H new ATOM 0 HD3 ARG A 68 -13.839 -1.364 -14.567 1.00 52.40 H new ATOM 0 HE ARG A 68 -12.310 0.191 -16.526 1.00 34.44 H new ATOM 0 HH11 ARG A 68 -14.160 -2.660 -15.762 1.00 41.53 H new ATOM 0 HH12 ARG A 68 -14.066 -3.337 -17.391 1.00 41.53 H new ATOM 0 HH21 ARG A 68 -12.011 -0.826 -18.651 1.00 1.21 H new ATOM 0 HH22 ARG A 68 -12.878 -2.327 -18.994 1.00 1.21 H new ATOM 945 N LEU A 69 -15.392 2.272 -11.434 1.00 74.05 N ATOM 946 CA LEU A 69 -15.900 1.682 -10.204 1.00 33.22 C ATOM 947 C LEU A 69 -17.382 1.915 -10.184 1.00 52.45 C ATOM 948 O LEU A 69 -17.909 2.564 -11.100 1.00 4.03 O ATOM 949 CB LEU A 69 -15.224 2.248 -8.918 1.00 23.43 C ATOM 950 CG LEU A 69 -15.604 3.659 -8.439 1.00 62.21 C ATOM 951 CD1 LEU A 69 -14.783 4.021 -7.227 1.00 32.54 C ATOM 952 CD2 LEU A 69 -15.418 4.702 -9.515 1.00 32.33 C ATOM 0 H LEU A 69 -16.067 2.863 -11.919 1.00 74.05 H new ATOM 0 HA LEU A 69 -15.664 0.618 -10.196 1.00 33.22 H new ATOM 0 HB2 LEU A 69 -15.434 1.555 -8.103 1.00 23.43 H new ATOM 0 HB3 LEU A 69 -14.146 2.234 -9.079 1.00 23.43 H new ATOM 0 HG LEU A 69 -16.664 3.644 -8.184 1.00 62.21 H new ATOM 0 HD11 LEU A 69 -15.054 5.021 -6.889 1.00 32.54 H new ATOM 0 HD12 LEU A 69 -14.976 3.304 -6.429 1.00 32.54 H new ATOM 0 HD13 LEU A 69 -13.724 4.000 -7.485 1.00 32.54 H new ATOM 0 HD21 LEU A 69 -15.700 5.680 -9.126 1.00 32.33 H new ATOM 0 HD22 LEU A 69 -14.373 4.722 -9.825 1.00 32.33 H new ATOM 0 HD23 LEU A 69 -16.046 4.457 -10.371 1.00 32.33 H new ATOM 964 N THR A 70 -18.055 1.410 -9.208 1.00 54.53 N ATOM 965 CA THR A 70 -19.434 1.692 -9.067 1.00 20.35 C ATOM 966 C THR A 70 -19.621 2.517 -7.806 1.00 72.14 C ATOM 967 O THR A 70 -18.960 2.283 -6.800 1.00 41.35 O ATOM 968 CB THR A 70 -20.310 0.404 -9.058 1.00 31.51 C ATOM 969 OG1 THR A 70 -19.835 -0.537 -8.087 1.00 71.31 O ATOM 970 CG2 THR A 70 -20.327 -0.255 -10.431 1.00 31.12 C ATOM 0 H THR A 70 -17.665 0.796 -8.493 1.00 54.53 H new ATOM 0 HA THR A 70 -19.774 2.260 -9.933 1.00 20.35 H new ATOM 0 HB THR A 70 -21.324 0.705 -8.794 1.00 31.51 H new ATOM 0 HG1 THR A 70 -19.740 -1.418 -8.505 1.00 71.31 H new ATOM 0 HG21 THR A 70 -20.946 -1.152 -10.397 1.00 31.12 H new ATOM 0 HG22 THR A 70 -20.737 0.441 -11.163 1.00 31.12 H new ATOM 0 HG23 THR A 70 -19.311 -0.526 -10.717 1.00 31.12 H new ATOM 978 N LEU A 71 -20.517 3.469 -7.849 1.00 74.45 N ATOM 979 CA LEU A 71 -20.698 4.393 -6.735 1.00 15.03 C ATOM 980 C LEU A 71 -21.230 3.680 -5.500 1.00 34.03 C ATOM 981 O LEU A 71 -21.017 4.116 -4.378 1.00 30.21 O ATOM 982 CB LEU A 71 -21.635 5.487 -7.121 1.00 52.10 C ATOM 983 CG LEU A 71 -21.641 6.704 -6.233 1.00 50.33 C ATOM 984 CD1 LEU A 71 -20.321 7.375 -6.349 1.00 40.24 C ATOM 985 CD2 LEU A 71 -22.757 7.646 -6.626 1.00 24.33 C ATOM 0 H LEU A 71 -21.139 3.633 -8.641 1.00 74.45 H new ATOM 0 HA LEU A 71 -19.722 4.814 -6.494 1.00 15.03 H new ATOM 0 HB2 LEU A 71 -21.391 5.804 -8.135 1.00 52.10 H new ATOM 0 HB3 LEU A 71 -22.645 5.079 -7.149 1.00 52.10 H new ATOM 0 HG LEU A 71 -21.814 6.406 -5.199 1.00 50.33 H new ATOM 0 HD11 LEU A 71 -20.305 8.260 -5.713 1.00 40.24 H new ATOM 0 HD12 LEU A 71 -19.535 6.688 -6.035 1.00 40.24 H new ATOM 0 HD13 LEU A 71 -20.153 7.670 -7.385 1.00 40.24 H new ATOM 0 HD21 LEU A 71 -22.744 8.518 -5.973 1.00 24.33 H new ATOM 0 HD22 LEU A 71 -22.618 7.964 -7.659 1.00 24.33 H new ATOM 0 HD23 LEU A 71 -23.715 7.135 -6.530 1.00 24.33 H new ATOM 997 N ARG A 72 -21.899 2.553 -5.726 1.00 51.15 N ATOM 998 CA ARG A 72 -22.461 1.728 -4.653 1.00 52.13 C ATOM 999 C ARG A 72 -21.349 1.225 -3.711 1.00 24.11 C ATOM 1000 O ARG A 72 -21.612 0.800 -2.603 1.00 71.14 O ATOM 1001 CB ARG A 72 -23.283 0.547 -5.264 1.00 75.05 C ATOM 1002 CG ARG A 72 -22.481 -0.435 -6.123 1.00 43.24 C ATOM 1003 CD ARG A 72 -21.963 -1.594 -5.301 1.00 12.24 C ATOM 1004 NE ARG A 72 -20.864 -2.318 -5.967 1.00 21.45 N ATOM 1005 CZ ARG A 72 -20.428 -3.546 -5.626 1.00 62.24 C ATOM 1006 NH1 ARG A 72 -21.233 -4.381 -4.957 1.00 34.12 N1+ ATOM 1007 NH2 ARG A 72 -19.191 -3.946 -5.972 1.00 74.23 N ATOM 0 H ARG A 72 -22.069 2.182 -6.661 1.00 51.15 H new ATOM 0 HA ARG A 72 -23.139 2.336 -4.053 1.00 52.13 H new ATOM 0 HB2 ARG A 72 -23.751 -0.007 -4.450 1.00 75.05 H new ATOM 0 HB3 ARG A 72 -24.087 0.962 -5.871 1.00 75.05 H new ATOM 0 HG2 ARG A 72 -23.110 -0.812 -6.930 1.00 43.24 H new ATOM 0 HG3 ARG A 72 -21.644 0.086 -6.588 1.00 43.24 H new ATOM 0 HD2 ARG A 72 -21.616 -1.224 -4.336 1.00 12.24 H new ATOM 0 HD3 ARG A 72 -22.781 -2.287 -5.102 1.00 12.24 H new ATOM 0 HE ARG A 72 -20.398 -1.853 -6.746 1.00 21.45 H new ATOM 0 HH11 ARG A 72 -22.177 -4.087 -4.705 1.00 34.12 H new ATOM 0 HH12 ARG A 72 -20.902 -5.311 -4.699 1.00 34.12 H new ATOM 0 HH21 ARG A 72 -18.580 -3.319 -6.494 1.00 74.23 H new ATOM 0 HH22 ARG A 72 -18.865 -4.877 -5.712 1.00 74.23 H new ATOM 1021 N GLU A 73 -20.113 1.322 -4.176 1.00 1.14 N ATOM 1022 CA GLU A 73 -18.948 0.867 -3.411 1.00 70.21 C ATOM 1023 C GLU A 73 -18.470 1.972 -2.476 1.00 53.20 C ATOM 1024 O GLU A 73 -17.940 1.712 -1.397 1.00 74.32 O ATOM 1025 CB GLU A 73 -17.841 0.416 -4.383 1.00 74.32 C ATOM 1026 CG GLU A 73 -18.326 -0.713 -5.259 1.00 63.42 C ATOM 1027 CD GLU A 73 -17.438 -1.125 -6.427 1.00 12.53 C ATOM 1028 OE1 GLU A 73 -17.281 -0.326 -7.362 1.00 13.13 O ATOM 1029 OE2 GLU A 73 -17.069 -2.307 -6.516 1.00 51.25 O1- ATOM 0 H GLU A 73 -19.883 1.715 -5.089 1.00 1.14 H new ATOM 0 HA GLU A 73 -19.221 0.013 -2.791 1.00 70.21 H new ATOM 0 HB2 GLU A 73 -17.531 1.257 -5.004 1.00 74.32 H new ATOM 0 HB3 GLU A 73 -16.965 0.095 -3.820 1.00 74.32 H new ATOM 0 HG2 GLU A 73 -18.479 -1.588 -4.627 1.00 63.42 H new ATOM 0 HG3 GLU A 73 -19.301 -0.434 -5.659 1.00 63.42 H new ATOM 1036 N LEU A 74 -18.751 3.204 -2.862 1.00 23.23 N ATOM 1037 CA LEU A 74 -18.324 4.376 -2.099 1.00 60.12 C ATOM 1038 C LEU A 74 -19.286 4.636 -0.958 1.00 14.04 C ATOM 1039 O LEU A 74 -18.945 5.289 0.018 1.00 24.42 O ATOM 1040 CB LEU A 74 -18.214 5.612 -3.007 1.00 43.43 C ATOM 1041 CG LEU A 74 -17.391 5.427 -4.292 1.00 64.12 C ATOM 1042 CD1 LEU A 74 -17.099 6.761 -4.955 1.00 30.44 C ATOM 1043 CD2 LEU A 74 -16.106 4.672 -4.012 1.00 12.32 C ATOM 0 H LEU A 74 -19.278 3.425 -3.707 1.00 23.23 H new ATOM 0 HA LEU A 74 -17.336 4.175 -1.684 1.00 60.12 H new ATOM 0 HB2 LEU A 74 -19.220 5.926 -3.285 1.00 43.43 H new ATOM 0 HB3 LEU A 74 -17.774 6.425 -2.430 1.00 43.43 H new ATOM 0 HG LEU A 74 -17.988 4.833 -4.984 1.00 64.12 H new ATOM 0 HD11 LEU A 74 -16.516 6.597 -5.861 1.00 30.44 H new ATOM 0 HD12 LEU A 74 -18.037 7.253 -5.212 1.00 30.44 H new ATOM 0 HD13 LEU A 74 -16.534 7.392 -4.269 1.00 30.44 H new ATOM 0 HD21 LEU A 74 -15.543 4.555 -4.938 1.00 12.32 H new ATOM 0 HD22 LEU A 74 -15.507 5.228 -3.291 1.00 12.32 H new ATOM 0 HD23 LEU A 74 -16.343 3.689 -3.605 1.00 12.32 H new ATOM 1055 N TYR A 75 -20.502 4.140 -1.110 1.00 64.14 N ATOM 1056 CA TYR A 75 -21.481 4.197 -0.040 1.00 71.43 C ATOM 1057 C TYR A 75 -21.277 3.020 0.907 1.00 2.12 C ATOM 1058 O TYR A 75 -21.532 3.130 2.097 1.00 70.10 O ATOM 1059 CB TYR A 75 -22.917 4.145 -0.568 1.00 1.52 C ATOM 1060 CG TYR A 75 -23.426 5.365 -1.300 1.00 42.52 C ATOM 1061 CD1 TYR A 75 -23.374 5.448 -2.680 1.00 53.43 C ATOM 1062 CD2 TYR A 75 -24.008 6.415 -0.601 1.00 63.20 C ATOM 1063 CE1 TYR A 75 -23.884 6.543 -3.346 1.00 71.00 C ATOM 1064 CE2 TYR A 75 -24.514 7.516 -1.258 1.00 32.03 C ATOM 1065 CZ TYR A 75 -24.451 7.574 -2.632 1.00 11.30 C ATOM 1066 OH TYR A 75 -24.961 8.665 -3.296 1.00 22.55 O ATOM 0 H TYR A 75 -20.834 3.693 -1.965 1.00 64.14 H new ATOM 0 HA TYR A 75 -21.336 5.145 0.477 1.00 71.43 H new ATOM 0 HB2 TYR A 75 -23.000 3.289 -1.238 1.00 1.52 H new ATOM 0 HB3 TYR A 75 -23.581 3.955 0.275 1.00 1.52 H new ATOM 0 HD1 TYR A 75 -22.927 4.643 -3.245 1.00 53.43 H new ATOM 0 HD2 TYR A 75 -24.065 6.368 0.476 1.00 63.20 H new ATOM 0 HE1 TYR A 75 -23.839 6.591 -4.424 1.00 71.00 H new ATOM 0 HE2 TYR A 75 -24.957 8.327 -0.699 1.00 32.03 H new ATOM 0 HH TYR A 75 -25.916 8.752 -3.096 1.00 22.55 H new ATOM 1076 N ALA A 76 -20.824 1.890 0.351 1.00 12.33 N ATOM 1077 CA ALA A 76 -20.595 0.672 1.130 1.00 14.25 C ATOM 1078 C ALA A 76 -19.459 0.882 2.113 1.00 52.22 C ATOM 1079 O ALA A 76 -19.564 0.541 3.289 1.00 4.20 O ATOM 1080 CB ALA A 76 -20.298 -0.505 0.211 1.00 10.53 C ATOM 0 H ALA A 76 -20.608 1.796 -0.642 1.00 12.33 H new ATOM 0 HA ALA A 76 -21.501 0.445 1.691 1.00 14.25 H new ATOM 0 HB1 ALA A 76 -20.131 -1.401 0.809 1.00 10.53 H new ATOM 0 HB2 ALA A 76 -21.144 -0.668 -0.457 1.00 10.53 H new ATOM 0 HB3 ALA A 76 -19.406 -0.291 -0.378 1.00 10.53 H new ATOM 1086 N ALA A 77 -18.380 1.434 1.625 1.00 45.13 N ATOM 1087 CA ALA A 77 -17.274 1.780 2.466 1.00 43.44 C ATOM 1088 C ALA A 77 -16.960 3.243 2.258 1.00 51.20 C ATOM 1089 O ALA A 77 -16.143 3.600 1.398 1.00 53.55 O ATOM 1090 CB ALA A 77 -16.056 0.908 2.179 1.00 42.44 C ATOM 0 H ALA A 77 -18.247 1.654 0.638 1.00 45.13 H new ATOM 0 HA ALA A 77 -17.541 1.603 3.508 1.00 43.44 H new ATOM 0 HB1 ALA A 77 -15.237 1.200 2.836 1.00 42.44 H new ATOM 0 HB2 ALA A 77 -16.308 -0.138 2.355 1.00 42.44 H new ATOM 0 HB3 ALA A 77 -15.752 1.038 1.140 1.00 42.44 H new ATOM 1096 N PRO A 78 -17.631 4.135 2.989 1.00 44.24 N ATOM 1097 CA PRO A 78 -17.445 5.536 2.793 1.00 72.25 C ATOM 1098 C PRO A 78 -16.205 6.044 3.491 1.00 43.13 C ATOM 1099 O PRO A 78 -16.248 6.505 4.626 1.00 1.33 O ATOM 1100 CB PRO A 78 -18.708 6.178 3.383 1.00 22.33 C ATOM 1101 CG PRO A 78 -19.494 5.065 4.018 1.00 62.34 C ATOM 1102 CD PRO A 78 -18.607 3.852 4.044 1.00 34.01 C ATOM 0 HA PRO A 78 -17.303 5.779 1.740 1.00 72.25 H new ATOM 0 HB2 PRO A 78 -18.449 6.939 4.119 1.00 22.33 H new ATOM 0 HB3 PRO A 78 -19.292 6.671 2.606 1.00 22.33 H new ATOM 0 HG2 PRO A 78 -19.801 5.338 5.027 1.00 62.34 H new ATOM 0 HG3 PRO A 78 -20.403 4.864 3.451 1.00 62.34 H new ATOM 0 HD2 PRO A 78 -18.127 3.724 5.014 1.00 34.01 H new ATOM 0 HD3 PRO A 78 -19.166 2.939 3.842 1.00 34.01 H new ATOM 1110 N THR A 79 -15.113 5.938 2.795 1.00 4.10 N ATOM 1111 CA THR A 79 -13.826 6.402 3.218 1.00 53.12 C ATOM 1112 C THR A 79 -13.041 6.701 1.991 1.00 34.11 C ATOM 1113 O THR A 79 -13.149 5.978 1.021 1.00 72.01 O ATOM 1114 CB THR A 79 -13.070 5.352 4.059 1.00 3.10 C ATOM 1115 OG1 THR A 79 -13.264 4.047 3.500 1.00 34.44 O ATOM 1116 CG2 THR A 79 -13.501 5.380 5.505 1.00 24.50 C ATOM 0 H THR A 79 -15.095 5.504 1.872 1.00 4.10 H new ATOM 0 HA THR A 79 -13.956 7.282 3.848 1.00 53.12 H new ATOM 0 HB THR A 79 -12.009 5.599 4.032 1.00 3.10 H new ATOM 0 HG1 THR A 79 -12.780 3.386 4.038 1.00 34.44 H new ATOM 0 HG21 THR A 79 -12.946 4.627 6.065 1.00 24.50 H new ATOM 0 HG22 THR A 79 -13.300 6.365 5.926 1.00 24.50 H new ATOM 0 HG23 THR A 79 -14.568 5.168 5.571 1.00 24.50 H new ATOM 1124 N LEU A 80 -12.293 7.750 2.034 1.00 41.23 N ATOM 1125 CA LEU A 80 -11.492 8.227 0.917 1.00 24.22 C ATOM 1126 C LEU A 80 -10.596 7.106 0.350 1.00 50.31 C ATOM 1127 O LEU A 80 -10.610 6.830 -0.862 1.00 3.33 O ATOM 1128 CB LEU A 80 -10.668 9.342 1.466 1.00 11.44 C ATOM 1129 CG LEU A 80 -9.855 10.194 0.521 1.00 3.31 C ATOM 1130 CD1 LEU A 80 -10.732 10.840 -0.501 1.00 32.12 C ATOM 1131 CD2 LEU A 80 -9.194 11.259 1.314 1.00 33.41 C ATOM 0 H LEU A 80 -12.207 8.331 2.868 1.00 41.23 H new ATOM 0 HA LEU A 80 -12.120 8.557 0.089 1.00 24.22 H new ATOM 0 HB2 LEU A 80 -11.338 10.006 2.012 1.00 11.44 H new ATOM 0 HB3 LEU A 80 -9.980 8.913 2.195 1.00 11.44 H new ATOM 0 HG LEU A 80 -9.126 9.565 0.010 1.00 3.31 H new ATOM 0 HD11 LEU A 80 -10.124 11.448 -1.170 1.00 32.12 H new ATOM 0 HD12 LEU A 80 -11.247 10.071 -1.077 1.00 32.12 H new ATOM 0 HD13 LEU A 80 -11.467 11.473 -0.003 1.00 32.12 H new ATOM 0 HD21 LEU A 80 -8.599 11.889 0.653 1.00 33.41 H new ATOM 0 HD22 LEU A 80 -9.951 11.866 1.810 1.00 33.41 H new ATOM 0 HD23 LEU A 80 -8.545 10.805 2.063 1.00 33.41 H new ATOM 1143 N ALA A 81 -9.880 6.440 1.252 1.00 62.22 N ATOM 1144 CA ALA A 81 -8.968 5.325 0.925 1.00 42.20 C ATOM 1145 C ALA A 81 -9.659 4.222 0.154 1.00 50.31 C ATOM 1146 O ALA A 81 -9.059 3.617 -0.720 1.00 51.22 O ATOM 1147 CB ALA A 81 -8.352 4.733 2.186 1.00 75.32 C ATOM 0 H ALA A 81 -9.911 6.656 2.248 1.00 62.22 H new ATOM 0 HA ALA A 81 -8.186 5.749 0.295 1.00 42.20 H new ATOM 0 HB1 ALA A 81 -7.685 3.914 1.915 1.00 75.32 H new ATOM 0 HB2 ALA A 81 -7.787 5.503 2.711 1.00 75.32 H new ATOM 0 HB3 ALA A 81 -9.143 4.357 2.835 1.00 75.32 H new ATOM 1153 N ALA A 82 -10.928 3.978 0.461 1.00 54.04 N ATOM 1154 CA ALA A 82 -11.672 2.922 -0.197 1.00 45.31 C ATOM 1155 C ALA A 82 -11.750 3.169 -1.683 1.00 31.01 C ATOM 1156 O ALA A 82 -11.447 2.293 -2.454 1.00 41.42 O ATOM 1157 CB ALA A 82 -13.066 2.772 0.383 1.00 71.10 C ATOM 0 H ALA A 82 -11.458 4.498 1.160 1.00 54.04 H new ATOM 0 HA ALA A 82 -11.135 1.990 -0.022 1.00 45.31 H new ATOM 0 HB1 ALA A 82 -13.592 1.971 -0.136 1.00 71.10 H new ATOM 0 HB2 ALA A 82 -12.995 2.531 1.444 1.00 71.10 H new ATOM 0 HB3 ALA A 82 -13.614 3.706 0.259 1.00 71.10 H new ATOM 1163 N TRP A 83 -12.068 4.402 -2.073 1.00 55.24 N ATOM 1164 CA TRP A 83 -12.239 4.739 -3.494 1.00 23.23 C ATOM 1165 C TRP A 83 -10.883 4.593 -4.178 1.00 70.32 C ATOM 1166 O TRP A 83 -10.772 4.116 -5.312 1.00 33.44 O ATOM 1167 CB TRP A 83 -12.685 6.203 -3.723 1.00 33.32 C ATOM 1168 CG TRP A 83 -13.701 6.818 -2.809 1.00 13.21 C ATOM 1169 CD1 TRP A 83 -14.202 6.369 -1.628 1.00 3.30 C ATOM 1170 CD2 TRP A 83 -14.313 8.057 -3.046 1.00 43.23 C ATOM 1171 NE1 TRP A 83 -15.118 7.248 -1.142 1.00 21.33 N ATOM 1172 CE2 TRP A 83 -15.201 8.299 -1.996 1.00 23.02 C ATOM 1173 CE3 TRP A 83 -14.199 8.989 -4.068 1.00 24.32 C ATOM 1174 CZ2 TRP A 83 -15.966 9.433 -1.937 1.00 21.43 C ATOM 1175 CZ3 TRP A 83 -14.956 10.112 -4.007 1.00 25.24 C ATOM 1176 CH2 TRP A 83 -15.831 10.330 -2.951 1.00 13.21 C ATOM 0 H TRP A 83 -12.213 5.183 -1.433 1.00 55.24 H new ATOM 0 HA TRP A 83 -13.006 4.074 -3.890 1.00 23.23 H new ATOM 0 HB2 TRP A 83 -11.792 6.826 -3.684 1.00 33.32 H new ATOM 0 HB3 TRP A 83 -13.076 6.270 -4.738 1.00 33.32 H new ATOM 0 HD1 TRP A 83 -13.914 5.447 -1.145 1.00 3.30 H new ATOM 0 HE1 TRP A 83 -15.653 7.136 -0.281 1.00 21.33 H new ATOM 0 HE3 TRP A 83 -13.522 8.823 -4.893 1.00 24.32 H new ATOM 0 HZ2 TRP A 83 -16.649 9.608 -1.119 1.00 21.43 H new ATOM 0 HZ3 TRP A 83 -14.877 10.849 -4.792 1.00 25.24 H new ATOM 0 HH2 TRP A 83 -16.420 11.235 -2.934 1.00 13.21 H new ATOM 1187 N ASN A 84 -9.863 5.001 -3.440 1.00 45.04 N ATOM 1188 CA ASN A 84 -8.475 4.982 -3.878 1.00 33.42 C ATOM 1189 C ASN A 84 -8.032 3.544 -4.156 1.00 5.33 C ATOM 1190 O ASN A 84 -7.559 3.215 -5.254 1.00 24.24 O ATOM 1191 CB ASN A 84 -7.595 5.635 -2.782 1.00 40.22 C ATOM 1192 CG ASN A 84 -6.126 5.733 -3.144 1.00 73.12 C ATOM 1193 OD1 ASN A 84 -5.774 5.811 -4.302 1.00 4.11 O ATOM 1194 ND2 ASN A 84 -5.270 5.803 -2.155 1.00 11.54 N ATOM 0 H ASN A 84 -9.980 5.364 -2.494 1.00 45.04 H new ATOM 0 HA ASN A 84 -8.367 5.548 -4.803 1.00 33.42 H new ATOM 0 HB2 ASN A 84 -7.975 6.636 -2.575 1.00 40.22 H new ATOM 0 HB3 ASN A 84 -7.694 5.060 -1.861 1.00 40.22 H new ATOM 0 HD21 ASN A 84 -4.276 5.926 -2.348 1.00 11.54 H new ATOM 0 HD22 ASN A 84 -5.597 5.734 -1.191 1.00 11.54 H new ATOM 1201 N GLN A 85 -8.258 2.679 -3.187 1.00 63.14 N ATOM 1202 CA GLN A 85 -7.891 1.280 -3.299 1.00 22.44 C ATOM 1203 C GLN A 85 -8.788 0.548 -4.294 1.00 11.01 C ATOM 1204 O GLN A 85 -8.354 -0.421 -4.926 1.00 22.25 O ATOM 1205 CB GLN A 85 -7.923 0.598 -1.933 1.00 22.32 C ATOM 1206 CG GLN A 85 -6.981 1.234 -0.917 1.00 72.24 C ATOM 1207 CD GLN A 85 -7.021 0.558 0.437 1.00 24.31 C ATOM 1208 OE1 GLN A 85 -8.028 0.002 0.842 1.00 62.52 O ATOM 1209 NE2 GLN A 85 -5.927 0.619 1.155 1.00 60.51 N ATOM 0 H GLN A 85 -8.700 2.925 -2.301 1.00 63.14 H new ATOM 0 HA GLN A 85 -6.870 1.235 -3.678 1.00 22.44 H new ATOM 0 HB2 GLN A 85 -8.940 0.629 -1.543 1.00 22.32 H new ATOM 0 HB3 GLN A 85 -7.660 -0.453 -2.053 1.00 22.32 H new ATOM 0 HG2 GLN A 85 -5.962 1.199 -1.304 1.00 72.24 H new ATOM 0 HG3 GLN A 85 -7.241 2.286 -0.799 1.00 72.24 H new ATOM 0 HE21 GLN A 85 -5.101 1.092 0.787 1.00 60.51 H new ATOM 0 HE22 GLN A 85 -5.901 0.194 2.082 1.00 60.51 H new ATOM 1218 N LEU A 86 -10.030 1.014 -4.447 1.00 61.03 N ATOM 1219 CA LEU A 86 -10.959 0.433 -5.413 1.00 42.30 C ATOM 1220 C LEU A 86 -10.433 0.509 -6.823 1.00 51.42 C ATOM 1221 O LEU A 86 -10.650 -0.405 -7.596 1.00 15.41 O ATOM 1222 CB LEU A 86 -12.357 1.025 -5.313 1.00 31.21 C ATOM 1223 CG LEU A 86 -13.157 0.593 -4.083 1.00 21.41 C ATOM 1224 CD1 LEU A 86 -14.451 1.334 -4.024 1.00 15.14 C ATOM 1225 CD2 LEU A 86 -13.414 -0.910 -4.090 1.00 64.31 C ATOM 0 H LEU A 86 -10.414 1.793 -3.912 1.00 61.03 H new ATOM 0 HA LEU A 86 -11.042 -0.622 -5.150 1.00 42.30 H new ATOM 0 HB2 LEU A 86 -12.275 2.112 -5.311 1.00 31.21 H new ATOM 0 HB3 LEU A 86 -12.917 0.749 -6.207 1.00 31.21 H new ATOM 0 HG LEU A 86 -12.567 0.831 -3.198 1.00 21.41 H new ATOM 0 HD11 LEU A 86 -15.012 1.018 -3.144 1.00 15.14 H new ATOM 0 HD12 LEU A 86 -14.255 2.405 -3.964 1.00 15.14 H new ATOM 0 HD13 LEU A 86 -15.033 1.122 -4.921 1.00 15.14 H new ATOM 0 HD21 LEU A 86 -13.985 -1.186 -3.203 1.00 64.31 H new ATOM 0 HD22 LEU A 86 -13.979 -1.178 -4.983 1.00 64.31 H new ATOM 0 HD23 LEU A 86 -12.463 -1.442 -4.089 1.00 64.31 H new ATOM 1237 N MET A 87 -9.705 1.580 -7.148 1.00 3.12 N ATOM 1238 CA MET A 87 -9.057 1.692 -8.461 1.00 52.13 C ATOM 1239 C MET A 87 -8.166 0.484 -8.719 1.00 11.22 C ATOM 1240 O MET A 87 -8.315 -0.218 -9.727 1.00 43.30 O ATOM 1241 CB MET A 87 -8.200 2.948 -8.576 1.00 43.52 C ATOM 1242 CG MET A 87 -8.932 4.237 -8.863 1.00 5.31 C ATOM 1243 SD MET A 87 -7.755 5.569 -9.156 1.00 72.51 S ATOM 1244 CE MET A 87 -8.801 6.883 -9.758 1.00 63.31 C ATOM 0 H MET A 87 -9.549 2.375 -6.529 1.00 3.12 H new ATOM 0 HA MET A 87 -9.858 1.744 -9.198 1.00 52.13 H new ATOM 0 HB2 MET A 87 -7.646 3.070 -7.645 1.00 43.52 H new ATOM 0 HB3 MET A 87 -7.466 2.789 -9.366 1.00 43.52 H new ATOM 0 HG2 MET A 87 -9.575 4.112 -9.734 1.00 5.31 H new ATOM 0 HG3 MET A 87 -9.578 4.491 -8.023 1.00 5.31 H new ATOM 0 HE1 MET A 87 -8.184 7.671 -10.189 1.00 63.31 H new ATOM 0 HE2 MET A 87 -9.475 6.492 -10.520 1.00 63.31 H new ATOM 0 HE3 MET A 87 -9.385 7.290 -8.933 1.00 63.31 H new ATOM 1254 N LEU A 88 -7.244 0.254 -7.798 1.00 0.43 N ATOM 1255 CA LEU A 88 -6.333 -0.893 -7.862 1.00 63.15 C ATOM 1256 C LEU A 88 -7.077 -2.220 -7.822 1.00 12.24 C ATOM 1257 O LEU A 88 -6.706 -3.163 -8.515 1.00 31.32 O ATOM 1258 CB LEU A 88 -5.310 -0.869 -6.722 1.00 41.15 C ATOM 1259 CG LEU A 88 -4.218 0.163 -6.760 1.00 2.13 C ATOM 1260 CD1 LEU A 88 -4.737 1.569 -6.541 1.00 5.22 C ATOM 1261 CD2 LEU A 88 -3.151 -0.185 -5.770 1.00 31.42 C ATOM 0 H LEU A 88 -7.101 0.852 -6.984 1.00 0.43 H new ATOM 0 HA LEU A 88 -5.814 -0.806 -8.817 1.00 63.15 H new ATOM 0 HB2 LEU A 88 -5.857 -0.738 -5.788 1.00 41.15 H new ATOM 0 HB3 LEU A 88 -4.837 -1.850 -6.680 1.00 41.15 H new ATOM 0 HG LEU A 88 -3.789 0.152 -7.762 1.00 2.13 H new ATOM 0 HD11 LEU A 88 -3.906 2.273 -6.578 1.00 5.22 H new ATOM 0 HD12 LEU A 88 -5.458 1.816 -7.320 1.00 5.22 H new ATOM 0 HD13 LEU A 88 -5.221 1.630 -5.566 1.00 5.22 H new ATOM 0 HD21 LEU A 88 -2.364 0.568 -5.804 1.00 31.42 H new ATOM 0 HD22 LEU A 88 -3.580 -0.216 -4.769 1.00 31.42 H new ATOM 0 HD23 LEU A 88 -2.731 -1.160 -6.015 1.00 31.42 H new ATOM 1273 N SER A 89 -8.112 -2.280 -7.017 1.00 51.33 N ATOM 1274 CA SER A 89 -8.881 -3.496 -6.849 1.00 24.51 C ATOM 1275 C SER A 89 -9.660 -3.858 -8.116 1.00 61.30 C ATOM 1276 O SER A 89 -9.796 -5.027 -8.441 1.00 62.51 O ATOM 1277 CB SER A 89 -9.824 -3.359 -5.656 1.00 13.35 C ATOM 1278 OG SER A 89 -9.096 -3.022 -4.481 1.00 34.53 O ATOM 0 H SER A 89 -8.446 -1.492 -6.461 1.00 51.33 H new ATOM 0 HA SER A 89 -8.181 -4.310 -6.658 1.00 24.51 H new ATOM 0 HB2 SER A 89 -10.570 -2.591 -5.861 1.00 13.35 H new ATOM 0 HB3 SER A 89 -10.363 -4.294 -5.502 1.00 13.35 H new ATOM 0 HG SER A 89 -8.782 -2.096 -4.545 1.00 34.53 H new ATOM 1284 N ARG A 90 -10.153 -2.853 -8.829 1.00 4.53 N ATOM 1285 CA ARG A 90 -10.908 -3.109 -10.039 1.00 74.42 C ATOM 1286 C ARG A 90 -9.993 -3.437 -11.190 1.00 73.44 C ATOM 1287 O ARG A 90 -10.196 -4.434 -11.866 1.00 64.41 O ATOM 1288 CB ARG A 90 -11.843 -1.945 -10.413 1.00 4.12 C ATOM 1289 CG ARG A 90 -12.893 -1.593 -9.357 1.00 45.21 C ATOM 1290 CD ARG A 90 -13.807 -2.765 -9.011 1.00 61.55 C ATOM 1291 NE ARG A 90 -14.554 -3.260 -10.172 1.00 41.12 N ATOM 1292 CZ ARG A 90 -15.881 -3.228 -10.315 1.00 35.35 C ATOM 1293 NH1 ARG A 90 -16.675 -2.714 -9.349 1.00 24.13 N1+ ATOM 1294 NH2 ARG A 90 -16.412 -3.732 -11.421 1.00 21.43 N ATOM 0 H ARG A 90 -10.043 -1.867 -8.591 1.00 4.53 H new ATOM 0 HA ARG A 90 -11.538 -3.974 -9.831 1.00 74.42 H new ATOM 0 HB2 ARG A 90 -11.237 -1.061 -10.609 1.00 4.12 H new ATOM 0 HB3 ARG A 90 -12.354 -2.194 -11.343 1.00 4.12 H new ATOM 0 HG2 ARG A 90 -12.390 -1.252 -8.452 1.00 45.21 H new ATOM 0 HG3 ARG A 90 -13.498 -0.761 -9.718 1.00 45.21 H new ATOM 0 HD2 ARG A 90 -13.210 -3.576 -8.595 1.00 61.55 H new ATOM 0 HD3 ARG A 90 -14.509 -2.457 -8.236 1.00 61.55 H new ATOM 0 HE ARG A 90 -14.013 -3.664 -10.936 1.00 41.12 H new ATOM 0 HH11 ARG A 90 -16.262 -2.342 -8.494 1.00 24.13 H new ATOM 0 HH12 ARG A 90 -17.687 -2.698 -9.476 1.00 24.13 H new ATOM 0 HH21 ARG A 90 -15.809 -4.133 -12.140 1.00 21.43 H new ATOM 0 HH22 ARG A 90 -17.423 -3.719 -11.553 1.00 21.43 H new ATOM 1308 N SER A 91 -8.958 -2.609 -11.374 1.00 12.32 N ATOM 1309 CA SER A 91 -8.029 -2.760 -12.504 1.00 61.12 C ATOM 1310 C SER A 91 -8.807 -2.642 -13.878 1.00 1.03 C ATOM 1311 O SER A 91 -9.967 -2.201 -13.889 1.00 61.42 O ATOM 1312 CB SER A 91 -7.269 -4.102 -12.342 1.00 11.32 C ATOM 1313 OG SER A 91 -6.505 -4.100 -11.137 1.00 22.10 O ATOM 0 H SER A 91 -8.741 -1.827 -10.756 1.00 12.32 H new ATOM 0 HA SER A 91 -7.291 -1.958 -12.510 1.00 61.12 H new ATOM 0 HB2 SER A 91 -7.978 -4.929 -12.329 1.00 11.32 H new ATOM 0 HB3 SER A 91 -6.611 -4.260 -13.197 1.00 11.32 H new ATOM 0 HG SER A 91 -7.014 -3.655 -10.428 1.00 22.10 H new ATOM 1319 N PRO A 92 -8.178 -2.892 -15.061 1.00 75.12 N ATOM 1320 CA PRO A 92 -8.926 -2.932 -16.306 1.00 43.21 C ATOM 1321 C PRO A 92 -9.626 -4.283 -16.483 1.00 15.54 C ATOM 1322 O PRO A 92 -8.972 -5.325 -16.514 1.00 33.23 O ATOM 1323 CB PRO A 92 -7.849 -2.736 -17.398 1.00 63.32 C ATOM 1324 CG PRO A 92 -6.573 -2.469 -16.665 1.00 71.40 C ATOM 1325 CD PRO A 92 -6.742 -3.074 -15.307 1.00 31.14 C ATOM 0 HA PRO A 92 -9.710 -2.176 -16.342 1.00 43.21 H new ATOM 0 HB2 PRO A 92 -7.762 -3.623 -18.025 1.00 63.32 H new ATOM 0 HB3 PRO A 92 -8.104 -1.905 -18.055 1.00 63.32 H new ATOM 0 HG2 PRO A 92 -5.724 -2.911 -17.186 1.00 71.40 H new ATOM 0 HG3 PRO A 92 -6.381 -1.398 -16.594 1.00 71.40 H new ATOM 0 HD2 PRO A 92 -6.457 -4.126 -15.292 1.00 31.14 H new ATOM 0 HD3 PRO A 92 -6.133 -2.568 -14.558 1.00 31.14 H new ATOM 1333 N GLU A 93 -10.934 -4.238 -16.550 1.00 45.42 N ATOM 1334 CA GLU A 93 -11.760 -5.409 -16.761 1.00 31.13 C ATOM 1335 C GLU A 93 -12.242 -5.323 -18.221 1.00 21.10 C ATOM 1336 O GLU A 93 -13.126 -4.439 -18.509 1.00 12.11 O ATOM 1337 CB GLU A 93 -12.990 -5.358 -15.819 1.00 40.41 C ATOM 1338 CG GLU A 93 -12.695 -4.890 -14.387 1.00 50.52 C ATOM 1339 CD GLU A 93 -13.939 -4.346 -13.688 1.00 22.04 C ATOM 1340 OE1 GLU A 93 -14.321 -4.845 -12.612 1.00 71.13 O ATOM 1341 OE2 GLU A 93 -14.559 -3.382 -14.218 1.00 42.33 O1- ATOM 1342 OXT GLU A 93 -11.727 -6.048 -19.065 1.00 38.16 O1- ATOM 0 H GLU A 93 -11.467 -3.373 -16.458 1.00 45.42 H new ATOM 0 HA GLU A 93 -11.210 -6.329 -16.561 1.00 31.13 H new ATOM 0 HB2 GLU A 93 -13.735 -4.693 -16.256 1.00 40.41 H new ATOM 0 HB3 GLU A 93 -13.436 -6.352 -15.775 1.00 40.41 H new ATOM 0 HG2 GLU A 93 -12.292 -5.723 -13.811 1.00 50.52 H new ATOM 0 HG3 GLU A 93 -11.927 -4.117 -14.411 1.00 50.52 H new TER 1349 GLU A 93