USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 925 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 24 ASN : amide:sc= -6.58! K(o=-11!,f=-1.9) USER MOD Set 1.2: A 29 GLN : amide:sc= -4.3! K(o=-11!,f=-0.49) USER MOD Set 2.1: A 20 ASN : amide:sc= -3.7 K(o=-6.6,f=-1.5) USER MOD Set 2.2: A 32 GLN : amide:sc= -2.9! K(o=-6.6!,f=-1.5) USER MOD Single : A 3 ASN : amide:sc= 0.767 K(o=0.77,f=-0.12) USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 1.78 (180deg=1.69) USER MOD Single : A 12 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.46) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -145:sc= 0.624 (180deg=-0.116) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -177:sc= 0.729 USER MOD Single : A 35 ASN : amide:sc= -4.72! C(o=-4.7!,f=-2.7!) USER MOD Single : A 38 GLN : amide:sc= -5.51! C(o=-5.5!,f=-2.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= 1.24 (180deg=0.664) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= -0.0596 (180deg=-0.106) USER MOD Single : A 60 MET CE :methyl 153:sc= -3.64! (180deg=-5.51!) USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= 0.827 (180deg=-0.146!) USER MOD Single : A 69 MET CE :methyl -128:sc= -0.0433 (180deg=-4.73!) USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= 1.23 (180deg=0.999) USER MOD Single : A 75 ASN : amide:sc= 0.449 X(o=0.45,f=0) USER MOD Single : A 81 MET CE :methyl -169:sc=-0.000639 (180deg=-0.256) USER MOD Single : A 82 THR OG1 : rot 74:sc= -0.698! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.4!) USER MOD Single : A 93 SER OG : rot 170:sc= -0.345 USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= -0.0305 (180deg=-0.205) USER MOD Single : A 100 THR OG1 : rot 11:sc= 0.678 USER MOD Single : A 101 HIS : no HD1:sc= -0.857 K(o=-0.86,f=-1.6) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0223) USER MOD Single : A 118 TYR OH : rot 30:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 -10.538 7.506 10.280 1.00 0.60 N ATOM 38 CA ASN A 3 -10.168 6.098 10.413 1.00 0.58 C ATOM 39 C ASN A 3 -9.480 5.605 9.144 1.00 0.41 C ATOM 40 O ASN A 3 -9.230 4.414 8.961 1.00 0.47 O ATOM 41 CB ASN A 3 -11.395 5.235 10.725 1.00 0.73 C ATOM 42 CG ASN A 3 -11.951 5.453 12.127 1.00 1.80 C ATOM 43 OD1 ASN A 3 -12.461 4.521 12.750 1.00 2.57 O ATOM 44 ND2 ASN A 3 -11.879 6.681 12.634 1.00 2.06 N ATOM 0 HA ASN A 3 -9.470 6.009 11.246 1.00 0.58 H new ATOM 0 HB2 ASN A 3 -12.176 5.450 9.996 1.00 0.73 H new ATOM 0 HB3 ASN A 3 -11.130 4.184 10.607 1.00 0.73 H new ATOM 0 HD21 ASN A 3 -12.252 6.872 13.564 1.00 2.06 H new ATOM 0 HD22 ASN A 3 -11.450 7.432 12.093 1.00 2.06 H new ATOM 51 N GLU A 4 -9.162 6.549 8.286 1.00 0.28 N ATOM 52 CA GLU A 4 -8.450 6.286 7.052 1.00 0.20 C ATOM 53 C GLU A 4 -6.963 6.160 7.345 1.00 0.17 C ATOM 54 O GLU A 4 -6.401 7.023 8.008 1.00 0.20 O ATOM 55 CB GLU A 4 -8.716 7.438 6.082 1.00 0.24 C ATOM 56 CG GLU A 4 -8.819 8.802 6.774 1.00 0.39 C ATOM 57 CD GLU A 4 -10.218 9.372 6.676 1.00 0.99 C ATOM 58 OE1 GLU A 4 -11.163 8.606 6.418 1.00 1.26 O ATOM 59 OE2 GLU A 4 -10.372 10.609 6.806 1.00 1.70 O ATOM 0 H GLU A 4 -9.393 7.533 8.426 1.00 0.28 H new ATOM 0 HA GLU A 4 -8.792 5.353 6.603 1.00 0.20 H new ATOM 0 HB2 GLU A 4 -7.916 7.473 5.342 1.00 0.24 H new ATOM 0 HB3 GLU A 4 -9.642 7.242 5.541 1.00 0.24 H new ATOM 0 HG2 GLU A 4 -8.539 8.701 7.823 1.00 0.39 H new ATOM 0 HG3 GLU A 4 -8.110 9.495 6.321 1.00 0.39 H new ATOM 66 N LYS A 5 -6.332 5.077 6.886 1.00 0.17 N ATOM 67 CA LYS A 5 -4.927 4.808 7.226 1.00 0.18 C ATOM 68 C LYS A 5 -4.157 4.100 6.095 1.00 0.17 C ATOM 69 O LYS A 5 -4.639 3.122 5.524 1.00 0.18 O ATOM 70 CB LYS A 5 -4.865 3.968 8.504 1.00 0.26 C ATOM 71 CG LYS A 5 -5.456 4.658 9.728 1.00 0.79 C ATOM 72 CD LYS A 5 -5.271 3.846 10.995 1.00 0.87 C ATOM 73 CE LYS A 5 -6.558 3.165 11.435 1.00 1.27 C ATOM 74 NZ LYS A 5 -6.943 2.032 10.553 1.00 1.93 N ATOM 0 H LYS A 5 -6.764 4.376 6.284 1.00 0.17 H new ATOM 0 HA LYS A 5 -4.442 5.772 7.378 1.00 0.18 H new ATOM 0 HB2 LYS A 5 -5.395 3.031 8.337 1.00 0.26 H new ATOM 0 HB3 LYS A 5 -3.825 3.714 8.709 1.00 0.26 H new ATOM 0 HG2 LYS A 5 -4.987 5.634 9.853 1.00 0.79 H new ATOM 0 HG3 LYS A 5 -6.519 4.834 9.565 1.00 0.79 H new ATOM 0 HD2 LYS A 5 -4.501 3.092 10.832 1.00 0.87 H new ATOM 0 HD3 LYS A 5 -4.916 4.498 11.793 1.00 0.87 H new ATOM 0 HE2 LYS A 5 -6.440 2.801 12.456 1.00 1.27 H new ATOM 0 HE3 LYS A 5 -7.365 3.898 11.450 1.00 1.27 H new ATOM 0 HZ1 LYS A 5 -7.778 1.553 10.947 1.00 1.93 H new ATOM 0 HZ2 LYS A 5 -7.166 2.392 9.603 1.00 1.93 H new ATOM 0 HZ3 LYS A 5 -6.154 1.357 10.491 1.00 1.93 H new ATOM 88 N ILE A 6 -2.943 4.596 5.796 1.00 0.16 N ATOM 89 CA ILE A 6 -2.063 4.004 4.766 1.00 0.15 C ATOM 90 C ILE A 6 -0.588 4.139 5.184 1.00 0.15 C ATOM 91 O ILE A 6 -0.222 5.092 5.852 1.00 0.20 O ATOM 92 CB ILE A 6 -2.241 4.688 3.385 1.00 0.17 C ATOM 93 CG1 ILE A 6 -3.657 4.501 2.852 1.00 0.18 C ATOM 94 CG2 ILE A 6 -1.237 4.152 2.368 1.00 0.18 C ATOM 95 CD1 ILE A 6 -3.901 5.229 1.551 1.00 0.19 C ATOM 0 H ILE A 6 -2.544 5.414 6.257 1.00 0.16 H new ATOM 0 HA ILE A 6 -2.344 2.954 4.678 1.00 0.15 H new ATOM 0 HB ILE A 6 -2.059 5.753 3.531 1.00 0.17 H new ATOM 0 HG12 ILE A 6 -3.847 3.437 2.708 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.369 4.854 3.598 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -1.387 4.651 1.411 1.00 0.18 H new ATOM 0 HG22 ILE A 6 -0.224 4.343 2.722 1.00 0.18 H new ATOM 0 HG23 ILE A 6 -1.382 3.079 2.245 1.00 0.18 H new ATOM 0 HD11 ILE A 6 -4.926 5.056 1.224 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -3.742 6.297 1.696 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -3.211 4.859 0.792 1.00 0.19 H new ATOM 107 N LEU A 7 0.259 3.198 4.792 1.00 0.14 N ATOM 108 CA LEU A 7 1.676 3.278 5.121 1.00 0.16 C ATOM 109 C LEU A 7 2.532 3.223 3.858 1.00 0.25 C ATOM 110 O LEU A 7 2.563 2.211 3.190 1.00 0.59 O ATOM 111 CB LEU A 7 2.056 2.125 6.052 1.00 0.23 C ATOM 112 CG LEU A 7 3.141 2.455 7.076 1.00 0.27 C ATOM 113 CD1 LEU A 7 4.462 2.754 6.396 1.00 0.69 C ATOM 114 CD2 LEU A 7 2.709 3.639 7.908 1.00 0.47 C ATOM 0 H LEU A 7 -0.007 2.376 4.250 1.00 0.14 H new ATOM 0 HA LEU A 7 1.860 4.229 5.621 1.00 0.16 H new ATOM 0 HB2 LEU A 7 1.163 1.797 6.584 1.00 0.23 H new ATOM 0 HB3 LEU A 7 2.393 1.284 5.446 1.00 0.23 H new ATOM 0 HG LEU A 7 3.282 1.587 7.720 1.00 0.27 H new ATOM 0 HD11 LEU A 7 5.215 2.985 7.149 1.00 0.69 H new ATOM 0 HD12 LEU A 7 4.780 1.885 5.820 1.00 0.69 H new ATOM 0 HD13 LEU A 7 4.343 3.607 5.728 1.00 0.69 H new ATOM 0 HD21 LEU A 7 3.484 3.873 8.638 1.00 0.47 H new ATOM 0 HD22 LEU A 7 2.549 4.500 7.260 1.00 0.47 H new ATOM 0 HD23 LEU A 7 1.781 3.399 8.428 1.00 0.47 H new ATOM 126 N ILE A 8 3.237 4.307 3.551 1.00 0.19 N ATOM 127 CA ILE A 8 4.095 4.369 2.361 1.00 0.19 C ATOM 128 C ILE A 8 5.540 4.045 2.752 1.00 0.19 C ATOM 129 O ILE A 8 6.143 4.750 3.569 1.00 0.24 O ATOM 130 CB ILE A 8 4.064 5.770 1.700 1.00 0.22 C ATOM 131 CG1 ILE A 8 2.649 6.141 1.246 1.00 0.23 C ATOM 132 CG2 ILE A 8 5.020 5.828 0.518 1.00 0.28 C ATOM 133 CD1 ILE A 8 1.729 6.573 2.365 1.00 0.20 C ATOM 0 H ILE A 8 3.234 5.161 4.109 1.00 0.19 H new ATOM 0 HA ILE A 8 3.715 3.640 1.645 1.00 0.19 H new ATOM 0 HB ILE A 8 4.383 6.494 2.450 1.00 0.22 H new ATOM 0 HG12 ILE A 8 2.714 6.946 0.514 1.00 0.23 H new ATOM 0 HG13 ILE A 8 2.207 5.284 0.738 1.00 0.23 H new ATOM 0 HG21 ILE A 8 4.983 6.820 0.068 1.00 0.28 H new ATOM 0 HG22 ILE A 8 6.034 5.622 0.860 1.00 0.28 H new ATOM 0 HG23 ILE A 8 4.729 5.083 -0.222 1.00 0.28 H new ATOM 0 HD11 ILE A 8 0.749 6.817 1.956 1.00 0.20 H new ATOM 0 HD12 ILE A 8 1.629 5.763 3.087 1.00 0.20 H new ATOM 0 HD13 ILE A 8 2.145 7.451 2.860 1.00 0.20 H new ATOM 145 N VAL A 9 6.083 2.981 2.183 1.00 0.19 N ATOM 146 CA VAL A 9 7.416 2.512 2.532 1.00 0.19 C ATOM 147 C VAL A 9 8.371 2.639 1.355 1.00 0.19 C ATOM 148 O VAL A 9 8.251 1.908 0.368 1.00 0.22 O ATOM 149 CB VAL A 9 7.401 1.038 2.967 1.00 0.20 C ATOM 150 CG1 VAL A 9 8.744 0.641 3.562 1.00 0.23 C ATOM 151 CG2 VAL A 9 6.267 0.771 3.942 1.00 0.21 C ATOM 0 H VAL A 9 5.616 2.420 1.470 1.00 0.19 H new ATOM 0 HA VAL A 9 7.753 3.138 3.358 1.00 0.19 H new ATOM 0 HB VAL A 9 7.229 0.423 2.084 1.00 0.20 H new ATOM 0 HG11 VAL A 9 8.713 -0.406 3.864 1.00 0.23 H new ATOM 0 HG12 VAL A 9 9.528 0.781 2.817 1.00 0.23 H new ATOM 0 HG13 VAL A 9 8.955 1.263 4.432 1.00 0.23 H new ATOM 0 HG21 VAL A 9 6.278 -0.279 4.234 1.00 0.21 H new ATOM 0 HG22 VAL A 9 6.393 1.395 4.826 1.00 0.21 H new ATOM 0 HG23 VAL A 9 5.315 1.005 3.466 1.00 0.21 H new ATOM 161 N ASP A 10 9.334 3.536 1.492 1.00 0.21 N ATOM 162 CA ASP A 10 10.345 3.773 0.469 1.00 0.30 C ATOM 163 C ASP A 10 11.435 4.641 1.075 1.00 0.42 C ATOM 164 O ASP A 10 11.235 5.231 2.122 1.00 0.83 O ATOM 165 CB ASP A 10 9.765 4.436 -0.796 1.00 0.45 C ATOM 166 CG ASP A 10 9.281 5.862 -0.584 1.00 1.13 C ATOM 167 OD1 ASP A 10 10.124 6.756 -0.383 1.00 1.63 O ATOM 168 OD2 ASP A 10 8.050 6.090 -0.588 1.00 1.84 O ATOM 0 H ASP A 10 9.439 4.124 2.319 1.00 0.21 H new ATOM 0 HA ASP A 10 10.749 2.813 0.148 1.00 0.30 H new ATOM 0 HB2 ASP A 10 10.527 4.435 -1.576 1.00 0.45 H new ATOM 0 HB3 ASP A 10 8.934 3.832 -1.161 1.00 0.45 H new ATOM 173 N ASP A 11 12.615 4.641 0.503 1.00 0.29 N ATOM 174 CA ASP A 11 13.653 5.525 0.990 1.00 0.36 C ATOM 175 C ASP A 11 13.823 6.730 0.066 1.00 0.38 C ATOM 176 O ASP A 11 14.841 7.419 0.103 1.00 0.73 O ATOM 177 CB ASP A 11 14.964 4.750 1.120 1.00 0.48 C ATOM 178 CG ASP A 11 16.024 5.491 1.909 1.00 0.63 C ATOM 179 OD1 ASP A 11 15.787 5.798 3.095 1.00 0.77 O ATOM 180 OD2 ASP A 11 17.107 5.770 1.353 1.00 0.74 O ATOM 0 H ASP A 11 12.880 4.051 -0.286 1.00 0.29 H new ATOM 0 HA ASP A 11 13.364 5.902 1.971 1.00 0.36 H new ATOM 0 HB2 ASP A 11 14.766 3.793 1.602 1.00 0.48 H new ATOM 0 HB3 ASP A 11 15.349 4.532 0.124 1.00 0.48 H new ATOM 185 N GLN A 12 12.811 7.003 -0.748 1.00 0.56 N ATOM 186 CA GLN A 12 12.859 8.150 -1.640 1.00 0.60 C ATOM 187 C GLN A 12 12.723 9.425 -0.829 1.00 0.54 C ATOM 188 O GLN A 12 11.946 9.491 0.122 1.00 0.66 O ATOM 189 CB GLN A 12 11.790 8.062 -2.730 1.00 0.83 C ATOM 190 CG GLN A 12 11.982 6.870 -3.661 1.00 1.01 C ATOM 191 CD GLN A 12 13.368 6.818 -4.288 1.00 1.87 C ATOM 192 OE1 GLN A 12 13.891 5.741 -4.570 1.00 2.56 O ATOM 193 NE2 GLN A 12 13.972 7.976 -4.521 1.00 2.51 N ATOM 0 H GLN A 12 11.956 6.451 -0.808 1.00 0.56 H new ATOM 0 HA GLN A 12 13.822 8.157 -2.150 1.00 0.60 H new ATOM 0 HB2 GLN A 12 10.808 7.996 -2.263 1.00 0.83 H new ATOM 0 HB3 GLN A 12 11.802 8.980 -3.318 1.00 0.83 H new ATOM 0 HG2 GLN A 12 11.807 5.950 -3.104 1.00 1.01 H new ATOM 0 HG3 GLN A 12 11.233 6.910 -4.452 1.00 1.01 H new ATOM 0 HE21 GLN A 12 13.509 8.851 -4.275 1.00 2.51 H new ATOM 0 HE22 GLN A 12 14.899 7.991 -4.947 1.00 2.51 H new ATOM 202 N TYR A 13 13.473 10.434 -1.228 1.00 0.55 N ATOM 203 CA TYR A 13 13.742 11.595 -0.395 1.00 0.60 C ATOM 204 C TYR A 13 12.494 12.345 0.078 1.00 0.51 C ATOM 205 O TYR A 13 12.530 12.974 1.136 1.00 0.61 O ATOM 206 CB TYR A 13 14.694 12.534 -1.129 1.00 0.75 C ATOM 207 CG TYR A 13 16.120 12.033 -1.145 1.00 1.43 C ATOM 208 CD1 TYR A 13 16.998 12.319 -0.105 1.00 2.25 C ATOM 209 CD2 TYR A 13 16.595 11.289 -2.217 1.00 1.81 C ATOM 210 CE1 TYR A 13 18.305 11.870 -0.132 1.00 3.15 C ATOM 211 CE2 TYR A 13 17.899 10.841 -2.251 1.00 2.61 C ATOM 212 CZ TYR A 13 18.735 11.089 -1.142 1.00 3.23 C ATOM 213 OH TYR A 13 20.054 10.688 -1.245 1.00 4.16 O ATOM 0 H TYR A 13 13.917 10.473 -2.145 1.00 0.55 H new ATOM 0 HA TYR A 13 14.203 11.219 0.518 1.00 0.60 H new ATOM 0 HB2 TYR A 13 14.349 12.664 -2.155 1.00 0.75 H new ATOM 0 HB3 TYR A 13 14.665 13.515 -0.656 1.00 0.75 H new ATOM 0 HD1 TYR A 13 16.653 12.901 0.737 1.00 2.25 H new ATOM 0 HD2 TYR A 13 15.932 11.057 -3.038 1.00 1.81 H new ATOM 0 HE1 TYR A 13 18.985 12.147 0.660 1.00 3.15 H new ATOM 0 HE2 TYR A 13 18.274 10.309 -3.113 1.00 2.61 H new ATOM 0 HH TYR A 13 20.164 10.128 -2.042 1.00 4.16 H new ATOM 223 N GLY A 14 11.390 12.293 -0.654 1.00 0.43 N ATOM 224 CA GLY A 14 10.230 13.033 -0.198 1.00 0.39 C ATOM 225 C GLY A 14 8.892 12.512 -0.682 1.00 0.37 C ATOM 226 O GLY A 14 7.891 13.194 -0.521 1.00 0.45 O ATOM 0 H GLY A 14 11.276 11.773 -1.524 1.00 0.43 H new ATOM 0 HA2 GLY A 14 10.227 13.034 0.892 1.00 0.39 H new ATOM 0 HA3 GLY A 14 10.334 14.070 -0.518 1.00 0.39 H new ATOM 230 N ILE A 15 8.839 11.308 -1.221 1.00 0.37 N ATOM 231 CA ILE A 15 7.583 10.803 -1.769 1.00 0.38 C ATOM 232 C ILE A 15 6.659 10.402 -0.631 1.00 0.30 C ATOM 233 O ILE A 15 5.468 10.741 -0.610 1.00 0.31 O ATOM 234 CB ILE A 15 7.811 9.596 -2.702 1.00 0.50 C ATOM 235 CG1 ILE A 15 8.770 9.969 -3.838 1.00 0.63 C ATOM 236 CG2 ILE A 15 6.485 9.100 -3.263 1.00 0.56 C ATOM 237 CD1 ILE A 15 8.246 11.054 -4.758 1.00 0.95 C ATOM 0 H ILE A 15 9.631 10.669 -1.293 1.00 0.37 H new ATOM 0 HA ILE A 15 7.129 11.599 -2.359 1.00 0.38 H new ATOM 0 HB ILE A 15 8.263 8.791 -2.122 1.00 0.50 H new ATOM 0 HG12 ILE A 15 9.716 10.298 -3.408 1.00 0.63 H new ATOM 0 HG13 ILE A 15 8.981 9.077 -4.428 1.00 0.63 H new ATOM 0 HG21 ILE A 15 6.663 8.248 -3.919 1.00 0.56 H new ATOM 0 HG22 ILE A 15 5.834 8.796 -2.443 1.00 0.56 H new ATOM 0 HG23 ILE A 15 6.007 9.900 -3.829 1.00 0.56 H new ATOM 0 HD11 ILE A 15 8.983 11.260 -5.534 1.00 0.95 H new ATOM 0 HD12 ILE A 15 7.316 10.722 -5.219 1.00 0.95 H new ATOM 0 HD13 ILE A 15 8.062 11.961 -4.183 1.00 0.95 H new ATOM 249 N ARG A 16 7.250 9.719 0.336 1.00 0.30 N ATOM 250 CA ARG A 16 6.540 9.250 1.524 1.00 0.35 C ATOM 251 C ARG A 16 5.724 10.362 2.174 1.00 0.33 C ATOM 252 O ARG A 16 4.570 10.164 2.556 1.00 0.43 O ATOM 253 CB ARG A 16 7.540 8.715 2.533 1.00 0.49 C ATOM 254 CG ARG A 16 8.143 7.393 2.133 1.00 0.58 C ATOM 255 CD ARG A 16 9.486 7.178 2.805 1.00 0.82 C ATOM 256 NE ARG A 16 10.459 8.195 2.397 1.00 1.64 N ATOM 257 CZ ARG A 16 11.008 9.098 3.212 1.00 2.17 C ATOM 258 NH1 ARG A 16 10.717 9.107 4.508 1.00 2.49 N ATOM 259 NH2 ARG A 16 11.868 9.979 2.726 1.00 2.91 N ATOM 0 H ARG A 16 8.239 9.471 0.323 1.00 0.30 H new ATOM 0 HA ARG A 16 5.853 8.464 1.211 1.00 0.35 H new ATOM 0 HB2 ARG A 16 8.338 9.445 2.665 1.00 0.49 H new ATOM 0 HB3 ARG A 16 7.047 8.604 3.499 1.00 0.49 H new ATOM 0 HG2 ARG A 16 7.464 6.584 2.403 1.00 0.58 H new ATOM 0 HG3 ARG A 16 8.265 7.358 1.050 1.00 0.58 H new ATOM 0 HD2 ARG A 16 9.361 7.206 3.887 1.00 0.82 H new ATOM 0 HD3 ARG A 16 9.866 6.188 2.553 1.00 0.82 H new ATOM 0 HE ARG A 16 10.738 8.214 1.416 1.00 1.64 H new ATOM 0 HH11 ARG A 16 10.068 8.419 4.890 1.00 2.49 H new ATOM 0 HH12 ARG A 16 11.143 9.802 5.121 1.00 2.49 H new ATOM 0 HH21 ARG A 16 12.107 9.965 1.735 1.00 2.91 H new ATOM 0 HH22 ARG A 16 12.292 10.672 3.343 1.00 2.91 H new ATOM 273 N ILE A 17 6.322 11.541 2.268 1.00 0.27 N ATOM 274 CA ILE A 17 5.719 12.651 2.988 1.00 0.29 C ATOM 275 C ILE A 17 4.761 13.421 2.081 1.00 0.32 C ATOM 276 O ILE A 17 3.815 14.060 2.554 1.00 0.34 O ATOM 277 CB ILE A 17 6.810 13.584 3.554 1.00 0.32 C ATOM 278 CG1 ILE A 17 6.208 14.689 4.425 1.00 0.40 C ATOM 279 CG2 ILE A 17 7.643 14.182 2.429 1.00 0.39 C ATOM 280 CD1 ILE A 17 5.600 14.180 5.713 1.00 0.68 C ATOM 0 H ILE A 17 7.229 11.753 1.852 1.00 0.27 H new ATOM 0 HA ILE A 17 5.146 12.251 3.825 1.00 0.29 H new ATOM 0 HB ILE A 17 7.462 12.982 4.187 1.00 0.32 H new ATOM 0 HG12 ILE A 17 6.984 15.417 4.662 1.00 0.40 H new ATOM 0 HG13 ILE A 17 5.442 15.214 3.854 1.00 0.40 H new ATOM 0 HG21 ILE A 17 8.406 14.837 2.850 1.00 0.39 H new ATOM 0 HG22 ILE A 17 8.122 13.381 1.866 1.00 0.39 H new ATOM 0 HG23 ILE A 17 6.998 14.757 1.765 1.00 0.39 H new ATOM 0 HD11 ILE A 17 5.193 15.018 6.279 1.00 0.68 H new ATOM 0 HD12 ILE A 17 4.801 13.474 5.484 1.00 0.68 H new ATOM 0 HD13 ILE A 17 6.367 13.681 6.305 1.00 0.68 H new ATOM 292 N LEU A 18 4.997 13.339 0.775 1.00 0.34 N ATOM 293 CA LEU A 18 4.042 13.882 -0.191 1.00 0.43 C ATOM 294 C LEU A 18 2.682 13.254 0.054 1.00 0.33 C ATOM 295 O LEU A 18 1.665 13.946 0.126 1.00 0.32 O ATOM 296 CB LEU A 18 4.460 13.591 -1.638 1.00 0.63 C ATOM 297 CG LEU A 18 5.790 14.187 -2.091 1.00 0.76 C ATOM 298 CD1 LEU A 18 5.997 13.957 -3.580 1.00 1.49 C ATOM 299 CD2 LEU A 18 5.862 15.669 -1.758 1.00 1.34 C ATOM 0 H LEU A 18 5.826 12.910 0.364 1.00 0.34 H new ATOM 0 HA LEU A 18 4.009 14.963 -0.056 1.00 0.43 H new ATOM 0 HB2 LEU A 18 4.507 12.510 -1.770 1.00 0.63 H new ATOM 0 HB3 LEU A 18 3.677 13.959 -2.301 1.00 0.63 H new ATOM 0 HG LEU A 18 6.592 13.683 -1.551 1.00 0.76 H new ATOM 0 HD11 LEU A 18 6.950 14.388 -3.886 1.00 1.49 H new ATOM 0 HD12 LEU A 18 6.001 12.887 -3.786 1.00 1.49 H new ATOM 0 HD13 LEU A 18 5.189 14.431 -4.137 1.00 1.49 H new ATOM 0 HD21 LEU A 18 6.819 16.071 -2.091 1.00 1.34 H new ATOM 0 HD22 LEU A 18 5.052 16.195 -2.263 1.00 1.34 H new ATOM 0 HD23 LEU A 18 5.766 15.805 -0.681 1.00 1.34 H new ATOM 311 N LEU A 19 2.686 11.937 0.242 1.00 0.31 N ATOM 312 CA LEU A 19 1.460 11.201 0.523 1.00 0.29 C ATOM 313 C LEU A 19 0.828 11.668 1.825 1.00 0.20 C ATOM 314 O LEU A 19 -0.395 11.646 1.969 1.00 0.17 O ATOM 315 CB LEU A 19 1.718 9.694 0.604 1.00 0.37 C ATOM 316 CG LEU A 19 1.696 8.932 -0.727 1.00 0.55 C ATOM 317 CD1 LEU A 19 0.441 9.267 -1.515 1.00 1.32 C ATOM 318 CD2 LEU A 19 2.943 9.226 -1.544 1.00 1.07 C ATOM 0 H LEU A 19 3.525 11.359 0.205 1.00 0.31 H new ATOM 0 HA LEU A 19 0.776 11.399 -0.302 1.00 0.29 H new ATOM 0 HB2 LEU A 19 2.689 9.537 1.073 1.00 0.37 H new ATOM 0 HB3 LEU A 19 0.971 9.253 1.264 1.00 0.37 H new ATOM 0 HG LEU A 19 1.686 7.865 -0.506 1.00 0.55 H new ATOM 0 HD11 LEU A 19 0.444 8.717 -2.456 1.00 1.32 H new ATOM 0 HD12 LEU A 19 -0.438 8.988 -0.934 1.00 1.32 H new ATOM 0 HD13 LEU A 19 0.415 10.337 -1.721 1.00 1.32 H new ATOM 0 HD21 LEU A 19 2.902 8.673 -2.482 1.00 1.07 H new ATOM 0 HD22 LEU A 19 2.997 10.294 -1.754 1.00 1.07 H new ATOM 0 HD23 LEU A 19 3.826 8.922 -0.982 1.00 1.07 H new ATOM 330 N ASN A 20 1.661 12.086 2.772 1.00 0.20 N ATOM 331 CA ASN A 20 1.165 12.570 4.056 1.00 0.18 C ATOM 332 C ASN A 20 0.299 13.798 3.843 1.00 0.19 C ATOM 333 O ASN A 20 -0.844 13.851 4.287 1.00 0.20 O ATOM 334 CB ASN A 20 2.306 12.919 5.021 1.00 0.22 C ATOM 335 CG ASN A 20 2.956 11.709 5.652 1.00 0.21 C ATOM 336 OD1 ASN A 20 3.309 11.736 6.828 1.00 0.28 O ATOM 337 ND2 ASN A 20 3.174 10.661 4.874 1.00 0.18 N ATOM 0 H ASN A 20 2.676 12.100 2.676 1.00 0.20 H new ATOM 0 HA ASN A 20 0.580 11.766 4.503 1.00 0.18 H new ATOM 0 HB2 ASN A 20 3.064 13.489 4.484 1.00 0.22 H new ATOM 0 HB3 ASN A 20 1.920 13.566 5.809 1.00 0.22 H new ATOM 0 HD21 ASN A 20 3.650 9.839 5.247 1.00 0.18 H new ATOM 0 HD22 ASN A 20 2.866 10.675 3.902 1.00 0.18 H new ATOM 344 N GLU A 21 0.835 14.775 3.136 1.00 0.25 N ATOM 345 CA GLU A 21 0.100 16.000 2.884 1.00 0.30 C ATOM 346 C GLU A 21 -1.165 15.739 2.075 1.00 0.28 C ATOM 347 O GLU A 21 -2.188 16.393 2.285 1.00 0.34 O ATOM 348 CB GLU A 21 0.994 17.006 2.187 1.00 0.38 C ATOM 349 CG GLU A 21 2.080 17.494 3.114 1.00 0.58 C ATOM 350 CD GLU A 21 1.531 18.334 4.246 1.00 1.35 C ATOM 351 OE1 GLU A 21 1.341 19.549 4.051 1.00 2.02 O ATOM 352 OE2 GLU A 21 1.275 17.775 5.331 1.00 1.93 O ATOM 0 H GLU A 21 1.770 14.745 2.729 1.00 0.25 H new ATOM 0 HA GLU A 21 -0.213 16.413 3.843 1.00 0.30 H new ATOM 0 HB2 GLU A 21 1.442 16.550 1.304 1.00 0.38 H new ATOM 0 HB3 GLU A 21 0.398 17.851 1.842 1.00 0.38 H new ATOM 0 HG2 GLU A 21 2.616 16.638 3.525 1.00 0.58 H new ATOM 0 HG3 GLU A 21 2.803 18.080 2.547 1.00 0.58 H new ATOM 359 N VAL A 22 -1.102 14.770 1.165 1.00 0.28 N ATOM 360 CA VAL A 22 -2.279 14.398 0.385 1.00 0.32 C ATOM 361 C VAL A 22 -3.356 13.797 1.283 1.00 0.31 C ATOM 362 O VAL A 22 -4.462 14.325 1.390 1.00 0.47 O ATOM 363 CB VAL A 22 -1.966 13.363 -0.721 1.00 0.43 C ATOM 364 CG1 VAL A 22 -3.169 13.170 -1.631 1.00 0.78 C ATOM 365 CG2 VAL A 22 -0.746 13.759 -1.531 1.00 0.63 C ATOM 0 H VAL A 22 -0.261 14.235 0.951 1.00 0.28 H new ATOM 0 HA VAL A 22 -2.624 15.321 -0.081 1.00 0.32 H new ATOM 0 HB VAL A 22 -1.743 12.416 -0.229 1.00 0.43 H new ATOM 0 HG11 VAL A 22 -2.928 12.438 -2.402 1.00 0.78 H new ATOM 0 HG12 VAL A 22 -4.016 12.814 -1.044 1.00 0.78 H new ATOM 0 HG13 VAL A 22 -3.427 14.120 -2.100 1.00 0.78 H new ATOM 0 HG21 VAL A 22 -0.559 13.007 -2.298 1.00 0.63 H new ATOM 0 HG22 VAL A 22 -0.922 14.725 -2.005 1.00 0.63 H new ATOM 0 HG23 VAL A 22 0.120 13.830 -0.873 1.00 0.63 H new ATOM 375 N PHE A 23 -3.019 12.699 1.946 1.00 0.22 N ATOM 376 CA PHE A 23 -4.030 11.892 2.610 1.00 0.20 C ATOM 377 C PHE A 23 -3.991 11.992 4.126 1.00 0.18 C ATOM 378 O PHE A 23 -5.034 12.090 4.741 1.00 0.20 O ATOM 379 CB PHE A 23 -3.892 10.426 2.212 1.00 0.24 C ATOM 380 CG PHE A 23 -4.135 10.154 0.760 1.00 0.27 C ATOM 381 CD1 PHE A 23 -5.388 10.354 0.208 1.00 0.33 C ATOM 382 CD2 PHE A 23 -3.115 9.680 -0.045 1.00 0.42 C ATOM 383 CE1 PHE A 23 -5.619 10.087 -1.125 1.00 0.38 C ATOM 384 CE2 PHE A 23 -3.340 9.413 -1.379 1.00 0.46 C ATOM 385 CZ PHE A 23 -4.593 9.617 -1.919 1.00 0.38 C ATOM 0 H PHE A 23 -2.065 12.351 2.037 1.00 0.22 H new ATOM 0 HA PHE A 23 -4.988 12.294 2.280 1.00 0.20 H new ATOM 0 HB2 PHE A 23 -2.890 10.085 2.470 1.00 0.24 H new ATOM 0 HB3 PHE A 23 -4.592 9.834 2.802 1.00 0.24 H new ATOM 0 HD1 PHE A 23 -6.193 10.723 0.827 1.00 0.33 H new ATOM 0 HD2 PHE A 23 -2.133 9.518 0.375 1.00 0.42 H new ATOM 0 HE1 PHE A 23 -6.601 10.245 -1.547 1.00 0.38 H new ATOM 0 HE2 PHE A 23 -2.537 9.045 -2.000 1.00 0.46 H new ATOM 0 HZ PHE A 23 -4.771 9.409 -2.964 1.00 0.38 H new ATOM 395 N ASN A 24 -2.806 12.001 4.713 1.00 0.17 N ATOM 396 CA ASN A 24 -2.635 11.770 6.156 1.00 0.20 C ATOM 397 C ASN A 24 -3.586 12.604 7.011 1.00 0.23 C ATOM 398 O ASN A 24 -4.026 12.175 8.076 1.00 0.28 O ATOM 399 CB ASN A 24 -1.203 12.098 6.552 1.00 0.20 C ATOM 400 CG ASN A 24 -0.814 11.508 7.889 1.00 0.18 C ATOM 401 OD1 ASN A 24 -1.010 12.115 8.942 1.00 0.19 O ATOM 402 ND2 ASN A 24 -0.218 10.334 7.839 1.00 0.19 N ATOM 0 H ASN A 24 -1.932 12.167 4.214 1.00 0.17 H new ATOM 0 HA ASN A 24 -2.866 10.721 6.339 1.00 0.20 H new ATOM 0 HB2 ASN A 24 -0.524 11.726 5.785 1.00 0.20 H new ATOM 0 HB3 ASN A 24 -1.080 13.180 6.588 1.00 0.20 H new ATOM 0 HD21 ASN A 24 0.104 9.889 8.698 1.00 0.19 H new ATOM 0 HD22 ASN A 24 -0.079 9.871 6.941 1.00 0.19 H new ATOM 409 N LYS A 25 -3.878 13.801 6.557 1.00 0.25 N ATOM 410 CA LYS A 25 -4.759 14.691 7.289 1.00 0.32 C ATOM 411 C LYS A 25 -6.247 14.481 6.984 1.00 0.30 C ATOM 412 O LYS A 25 -7.082 14.577 7.885 1.00 0.38 O ATOM 413 CB LYS A 25 -4.338 16.136 7.023 1.00 0.45 C ATOM 414 CG LYS A 25 -4.004 16.391 5.560 1.00 0.51 C ATOM 415 CD LYS A 25 -3.274 17.707 5.351 1.00 1.10 C ATOM 416 CE LYS A 25 -1.990 17.787 6.168 1.00 1.44 C ATOM 417 NZ LYS A 25 -1.220 19.026 5.877 1.00 1.75 N ATOM 0 H LYS A 25 -3.519 14.184 5.683 1.00 0.25 H new ATOM 0 HA LYS A 25 -4.653 14.456 8.348 1.00 0.32 H new ATOM 0 HB2 LYS A 25 -5.141 16.806 7.330 1.00 0.45 H new ATOM 0 HB3 LYS A 25 -3.470 16.376 7.637 1.00 0.45 H new ATOM 0 HG2 LYS A 25 -3.389 15.574 5.183 1.00 0.51 H new ATOM 0 HG3 LYS A 25 -4.924 16.393 4.976 1.00 0.51 H new ATOM 0 HD2 LYS A 25 -3.038 17.826 4.294 1.00 1.10 H new ATOM 0 HD3 LYS A 25 -3.930 18.533 5.626 1.00 1.10 H new ATOM 0 HE2 LYS A 25 -2.233 17.753 7.230 1.00 1.44 H new ATOM 0 HE3 LYS A 25 -1.370 16.916 5.955 1.00 1.44 H new ATOM 0 HZ1 LYS A 25 -0.202 18.822 5.928 1.00 1.75 H new ATOM 0 HZ2 LYS A 25 -1.458 19.367 4.924 1.00 1.75 H new ATOM 0 HZ3 LYS A 25 -1.462 19.757 6.576 1.00 1.75 H new ATOM 431 N GLU A 26 -6.583 14.210 5.731 1.00 0.29 N ATOM 432 CA GLU A 26 -7.991 14.176 5.320 1.00 0.35 C ATOM 433 C GLU A 26 -8.362 12.899 4.556 1.00 0.33 C ATOM 434 O GLU A 26 -9.489 12.409 4.654 1.00 0.45 O ATOM 435 CB GLU A 26 -8.278 15.391 4.438 1.00 0.43 C ATOM 436 CG GLU A 26 -7.337 15.489 3.244 1.00 0.42 C ATOM 437 CD GLU A 26 -7.675 16.629 2.311 1.00 0.54 C ATOM 438 OE1 GLU A 26 -8.505 16.432 1.398 1.00 0.75 O ATOM 439 OE2 GLU A 26 -7.101 17.725 2.477 1.00 0.61 O ATOM 0 H GLU A 26 -5.915 14.012 4.986 1.00 0.29 H new ATOM 0 HA GLU A 26 -8.596 14.193 6.227 1.00 0.35 H new ATOM 0 HB2 GLU A 26 -9.307 15.340 4.081 1.00 0.43 H new ATOM 0 HB3 GLU A 26 -8.193 16.298 5.037 1.00 0.43 H new ATOM 0 HG2 GLU A 26 -6.316 15.613 3.604 1.00 0.42 H new ATOM 0 HG3 GLU A 26 -7.367 14.552 2.688 1.00 0.42 H new ATOM 446 N GLY A 27 -7.429 12.385 3.775 1.00 0.25 N ATOM 447 CA GLY A 27 -7.701 11.234 2.946 1.00 0.26 C ATOM 448 C GLY A 27 -7.458 9.920 3.659 1.00 0.20 C ATOM 449 O GLY A 27 -8.302 9.033 3.615 1.00 0.22 O ATOM 0 H GLY A 27 -6.479 12.749 3.700 1.00 0.25 H new ATOM 0 HA2 GLY A 27 -8.737 11.272 2.610 1.00 0.26 H new ATOM 0 HA3 GLY A 27 -7.075 11.279 2.055 1.00 0.26 H new ATOM 453 N TYR A 28 -6.300 9.800 4.308 1.00 0.22 N ATOM 454 CA TYR A 28 -5.903 8.570 4.993 1.00 0.17 C ATOM 455 C TYR A 28 -4.929 8.879 6.135 1.00 0.31 C ATOM 456 O TYR A 28 -4.855 10.003 6.594 1.00 0.84 O ATOM 457 CB TYR A 28 -5.277 7.568 4.006 1.00 0.19 C ATOM 458 CG TYR A 28 -6.269 6.941 3.048 1.00 0.26 C ATOM 459 CD1 TYR A 28 -7.067 5.875 3.445 1.00 0.36 C ATOM 460 CD2 TYR A 28 -6.408 7.416 1.748 1.00 0.32 C ATOM 461 CE1 TYR A 28 -7.972 5.298 2.575 1.00 0.47 C ATOM 462 CE2 TYR A 28 -7.311 6.844 0.872 1.00 0.42 C ATOM 463 CZ TYR A 28 -8.092 5.787 1.288 1.00 0.50 C ATOM 464 OH TYR A 28 -8.991 5.215 0.415 1.00 0.62 O ATOM 0 H TYR A 28 -5.612 10.550 4.374 1.00 0.22 H new ATOM 0 HA TYR A 28 -6.799 8.115 5.416 1.00 0.17 H new ATOM 0 HB2 TYR A 28 -4.504 8.077 3.430 1.00 0.19 H new ATOM 0 HB3 TYR A 28 -4.785 6.777 4.571 1.00 0.19 H new ATOM 0 HD1 TYR A 28 -6.978 5.491 4.451 1.00 0.36 H new ATOM 0 HD2 TYR A 28 -5.800 8.245 1.418 1.00 0.32 H new ATOM 0 HE1 TYR A 28 -8.583 4.469 2.899 1.00 0.47 H new ATOM 0 HE2 TYR A 28 -7.404 7.224 -0.135 1.00 0.42 H new ATOM 0 HH TYR A 28 -8.950 5.679 -0.447 1.00 0.62 H new ATOM 474 N GLN A 29 -4.218 7.862 6.606 1.00 0.20 N ATOM 475 CA GLN A 29 -3.202 8.025 7.654 1.00 0.15 C ATOM 476 C GLN A 29 -1.878 7.645 7.064 1.00 0.17 C ATOM 477 O GLN A 29 -1.166 6.798 7.588 1.00 0.34 O ATOM 478 CB GLN A 29 -3.480 7.113 8.843 1.00 0.19 C ATOM 479 CG GLN A 29 -2.885 7.576 10.173 1.00 0.28 C ATOM 480 CD GLN A 29 -2.120 8.878 10.097 1.00 0.74 C ATOM 481 OE1 GLN A 29 -2.694 9.957 10.233 1.00 1.50 O ATOM 482 NE2 GLN A 29 -0.816 8.786 9.926 1.00 0.53 N ATOM 0 H GLN A 29 -4.324 6.902 6.278 1.00 0.20 H new ATOM 0 HA GLN A 29 -3.212 9.057 8.005 1.00 0.15 H new ATOM 0 HB2 GLN A 29 -4.559 7.015 8.961 1.00 0.19 H new ATOM 0 HB3 GLN A 29 -3.093 6.120 8.617 1.00 0.19 H new ATOM 0 HG2 GLN A 29 -3.691 7.684 10.899 1.00 0.28 H new ATOM 0 HG3 GLN A 29 -2.219 6.799 10.549 1.00 0.28 H new ATOM 0 HE21 GLN A 29 -0.379 7.871 9.817 1.00 0.53 H new ATOM 0 HE22 GLN A 29 -0.244 9.630 9.903 1.00 0.53 H new ATOM 491 N THR A 30 -1.568 8.273 5.963 1.00 0.12 N ATOM 492 CA THR A 30 -0.451 7.877 5.158 1.00 0.13 C ATOM 493 C THR A 30 0.852 8.251 5.831 1.00 0.13 C ATOM 494 O THR A 30 1.175 9.417 5.923 1.00 0.17 O ATOM 495 CB THR A 30 -0.548 8.552 3.792 1.00 0.14 C ATOM 496 OG1 THR A 30 -0.785 9.954 3.957 1.00 0.18 O ATOM 497 CG2 THR A 30 -1.673 7.958 2.968 1.00 0.16 C ATOM 0 H THR A 30 -2.085 9.074 5.600 1.00 0.12 H new ATOM 0 HA THR A 30 -0.471 6.794 5.033 1.00 0.13 H new ATOM 0 HB THR A 30 0.395 8.389 3.271 1.00 0.14 H new ATOM 0 HG1 THR A 30 -0.885 10.375 3.077 1.00 0.18 H new ATOM 0 HG21 THR A 30 -1.719 8.458 2.000 1.00 0.16 H new ATOM 0 HG22 THR A 30 -1.492 6.894 2.818 1.00 0.16 H new ATOM 0 HG23 THR A 30 -2.619 8.095 3.492 1.00 0.16 H new ATOM 505 N PHE A 31 1.602 7.276 6.302 1.00 0.13 N ATOM 506 CA PHE A 31 2.833 7.581 7.005 1.00 0.14 C ATOM 507 C PHE A 31 4.029 7.133 6.166 1.00 0.13 C ATOM 508 O PHE A 31 3.856 6.536 5.106 1.00 0.14 O ATOM 509 CB PHE A 31 2.866 6.909 8.380 1.00 0.17 C ATOM 510 CG PHE A 31 3.603 7.718 9.408 1.00 0.24 C ATOM 511 CD1 PHE A 31 3.006 8.814 10.011 1.00 0.37 C ATOM 512 CD2 PHE A 31 4.892 7.372 9.781 1.00 0.29 C ATOM 513 CE1 PHE A 31 3.681 9.550 10.964 1.00 0.45 C ATOM 514 CE2 PHE A 31 5.572 8.104 10.733 1.00 0.36 C ATOM 515 CZ PHE A 31 4.966 9.231 11.296 1.00 0.42 C ATOM 0 H PHE A 31 1.387 6.283 6.214 1.00 0.13 H new ATOM 0 HA PHE A 31 2.884 8.659 7.160 1.00 0.14 H new ATOM 0 HB2 PHE A 31 1.845 6.741 8.721 1.00 0.17 H new ATOM 0 HB3 PHE A 31 3.337 5.930 8.289 1.00 0.17 H new ATOM 0 HD1 PHE A 31 2.001 9.095 9.732 1.00 0.37 H new ATOM 0 HD2 PHE A 31 5.370 6.520 9.321 1.00 0.29 H new ATOM 0 HE1 PHE A 31 3.191 10.381 11.449 1.00 0.45 H new ATOM 0 HE2 PHE A 31 6.564 7.809 11.041 1.00 0.36 H new ATOM 0 HZ PHE A 31 5.514 9.848 11.993 1.00 0.42 H new ATOM 525 N GLN A 32 5.233 7.433 6.631 1.00 0.14 N ATOM 526 CA GLN A 32 6.446 7.113 5.889 1.00 0.16 C ATOM 527 C GLN A 32 7.222 5.998 6.576 1.00 0.17 C ATOM 528 O GLN A 32 7.268 5.934 7.803 1.00 0.20 O ATOM 529 CB GLN A 32 7.341 8.354 5.752 1.00 0.21 C ATOM 530 CG GLN A 32 7.603 9.084 7.064 1.00 0.76 C ATOM 531 CD GLN A 32 6.702 10.293 7.258 1.00 0.33 C ATOM 532 OE1 GLN A 32 7.072 11.260 7.924 1.00 0.51 O ATOM 533 NE2 GLN A 32 5.528 10.259 6.652 1.00 0.52 N ATOM 0 H GLN A 32 5.397 7.900 7.523 1.00 0.14 H new ATOM 0 HA GLN A 32 6.149 6.777 4.896 1.00 0.16 H new ATOM 0 HB2 GLN A 32 8.295 8.054 5.320 1.00 0.21 H new ATOM 0 HB3 GLN A 32 6.877 9.047 5.050 1.00 0.21 H new ATOM 0 HG2 GLN A 32 7.458 8.392 7.894 1.00 0.76 H new ATOM 0 HG3 GLN A 32 8.644 9.405 7.094 1.00 0.76 H new ATOM 0 HE21 GLN A 32 5.258 9.439 6.109 1.00 0.52 H new ATOM 0 HE22 GLN A 32 4.892 11.053 6.727 1.00 0.52 H new ATOM 542 N ALA A 33 7.811 5.113 5.781 1.00 0.18 N ATOM 543 CA ALA A 33 8.617 4.028 6.317 1.00 0.19 C ATOM 544 C ALA A 33 9.914 3.852 5.539 1.00 0.18 C ATOM 545 O ALA A 33 9.912 3.791 4.311 1.00 0.20 O ATOM 546 CB ALA A 33 7.829 2.732 6.314 1.00 0.20 C ATOM 0 H ALA A 33 7.744 5.127 4.763 1.00 0.18 H new ATOM 0 HA ALA A 33 8.876 4.289 7.343 1.00 0.19 H new ATOM 0 HB1 ALA A 33 8.446 1.930 6.718 1.00 0.20 H new ATOM 0 HB2 ALA A 33 6.936 2.848 6.929 1.00 0.20 H new ATOM 0 HB3 ALA A 33 7.537 2.486 5.293 1.00 0.20 H new ATOM 552 N ALA A 34 11.017 3.789 6.277 1.00 0.18 N ATOM 553 CA ALA A 34 12.325 3.517 5.703 1.00 0.20 C ATOM 554 C ALA A 34 12.592 2.019 5.688 1.00 0.17 C ATOM 555 O ALA A 34 13.549 1.549 5.089 1.00 0.21 O ATOM 556 CB ALA A 34 13.400 4.240 6.494 1.00 0.27 C ATOM 0 H ALA A 34 11.027 3.925 7.288 1.00 0.18 H new ATOM 0 HA ALA A 34 12.343 3.881 4.676 1.00 0.20 H new ATOM 0 HB1 ALA A 34 14.376 4.030 6.057 1.00 0.27 H new ATOM 0 HB2 ALA A 34 13.213 5.313 6.466 1.00 0.27 H new ATOM 0 HB3 ALA A 34 13.384 3.896 7.528 1.00 0.27 H new ATOM 562 N ASN A 35 11.753 1.274 6.391 1.00 0.16 N ATOM 563 CA ASN A 35 11.765 -0.182 6.307 1.00 0.20 C ATOM 564 C ASN A 35 10.338 -0.669 6.388 1.00 0.21 C ATOM 565 O ASN A 35 9.499 -0.001 6.985 1.00 0.18 O ATOM 566 CB ASN A 35 12.561 -0.839 7.450 1.00 0.25 C ATOM 567 CG ASN A 35 13.566 0.076 8.118 1.00 0.27 C ATOM 568 OD1 ASN A 35 14.712 0.169 7.694 1.00 0.39 O ATOM 569 ND2 ASN A 35 13.143 0.730 9.189 1.00 0.22 N ATOM 0 H ASN A 35 11.053 1.653 7.028 1.00 0.16 H new ATOM 0 HA ASN A 35 12.245 -0.456 5.368 1.00 0.20 H new ATOM 0 HB2 ASN A 35 11.861 -1.201 8.203 1.00 0.25 H new ATOM 0 HB3 ASN A 35 13.086 -1.710 7.057 1.00 0.25 H new ATOM 0 HD21 ASN A 35 13.781 1.342 9.698 1.00 0.22 H new ATOM 0 HD22 ASN A 35 12.179 0.622 9.505 1.00 0.22 H new ATOM 576 N GLY A 36 10.057 -1.827 5.808 1.00 0.29 N ATOM 577 CA GLY A 36 8.767 -2.453 6.030 1.00 0.33 C ATOM 578 C GLY A 36 8.582 -2.762 7.501 1.00 0.30 C ATOM 579 O GLY A 36 7.473 -2.879 8.002 1.00 0.30 O ATOM 0 H GLY A 36 10.690 -2.340 5.194 1.00 0.29 H new ATOM 0 HA2 GLY A 36 7.970 -1.793 5.687 1.00 0.33 H new ATOM 0 HA3 GLY A 36 8.695 -3.371 5.446 1.00 0.33 H new ATOM 583 N LEU A 37 9.704 -2.851 8.186 1.00 0.31 N ATOM 584 CA LEU A 37 9.756 -3.090 9.605 1.00 0.31 C ATOM 585 C LEU A 37 9.357 -1.817 10.351 1.00 0.24 C ATOM 586 O LEU A 37 8.721 -1.871 11.402 1.00 0.25 O ATOM 587 CB LEU A 37 11.191 -3.526 9.898 1.00 0.40 C ATOM 588 CG LEU A 37 11.518 -4.068 11.287 1.00 0.76 C ATOM 589 CD1 LEU A 37 11.592 -2.952 12.316 1.00 1.52 C ATOM 590 CD2 LEU A 37 10.499 -5.117 11.702 1.00 1.36 C ATOM 0 H LEU A 37 10.624 -2.756 7.757 1.00 0.31 H new ATOM 0 HA LEU A 37 9.061 -3.862 9.936 1.00 0.31 H new ATOM 0 HB2 LEU A 37 11.459 -4.293 9.171 1.00 0.40 H new ATOM 0 HB3 LEU A 37 11.841 -2.671 9.714 1.00 0.40 H new ATOM 0 HG LEU A 37 12.501 -4.537 11.240 1.00 0.76 H new ATOM 0 HD11 LEU A 37 11.827 -3.373 13.294 1.00 1.52 H new ATOM 0 HD12 LEU A 37 12.370 -2.244 12.030 1.00 1.52 H new ATOM 0 HD13 LEU A 37 10.633 -2.437 12.364 1.00 1.52 H new ATOM 0 HD21 LEU A 37 10.747 -5.493 12.695 1.00 1.36 H new ATOM 0 HD22 LEU A 37 9.505 -4.671 11.721 1.00 1.36 H new ATOM 0 HD23 LEU A 37 10.513 -5.941 10.988 1.00 1.36 H new ATOM 602 N GLN A 38 9.717 -0.668 9.781 1.00 0.20 N ATOM 603 CA GLN A 38 9.247 0.609 10.286 1.00 0.16 C ATOM 604 C GLN A 38 7.769 0.744 9.946 1.00 0.16 C ATOM 605 O GLN A 38 6.991 1.333 10.688 1.00 0.17 O ATOM 606 CB GLN A 38 10.051 1.752 9.662 1.00 0.15 C ATOM 607 CG GLN A 38 10.037 3.044 10.468 1.00 0.19 C ATOM 608 CD GLN A 38 8.704 3.777 10.451 1.00 0.23 C ATOM 609 OE1 GLN A 38 8.338 4.444 11.417 1.00 0.50 O ATOM 610 NE2 GLN A 38 7.984 3.673 9.346 1.00 0.17 N ATOM 0 H GLN A 38 10.332 -0.601 8.970 1.00 0.20 H new ATOM 0 HA GLN A 38 9.381 0.658 11.367 1.00 0.16 H new ATOM 0 HB2 GLN A 38 11.084 1.427 9.537 1.00 0.15 H new ATOM 0 HB3 GLN A 38 9.658 1.955 8.666 1.00 0.15 H new ATOM 0 HG2 GLN A 38 10.301 2.817 11.501 1.00 0.19 H new ATOM 0 HG3 GLN A 38 10.809 3.709 10.081 1.00 0.19 H new ATOM 0 HE21 GLN A 38 8.324 3.109 8.567 1.00 0.17 H new ATOM 0 HE22 GLN A 38 7.089 4.157 9.273 1.00 0.17 H new ATOM 619 N ALA A 39 7.382 0.180 8.813 1.00 0.18 N ATOM 620 CA ALA A 39 5.984 0.145 8.436 1.00 0.22 C ATOM 621 C ALA A 39 5.208 -0.670 9.452 1.00 0.27 C ATOM 622 O ALA A 39 4.116 -0.295 9.851 1.00 0.32 O ATOM 623 CB ALA A 39 5.818 -0.432 7.044 1.00 0.25 C ATOM 0 H ALA A 39 8.015 -0.257 8.143 1.00 0.18 H new ATOM 0 HA ALA A 39 5.593 1.162 8.422 1.00 0.22 H new ATOM 0 HB1 ALA A 39 4.760 -0.449 6.781 1.00 0.25 H new ATOM 0 HB2 ALA A 39 6.360 0.185 6.327 1.00 0.25 H new ATOM 0 HB3 ALA A 39 6.214 -1.447 7.021 1.00 0.25 H new ATOM 629 N LEU A 40 5.807 -1.776 9.881 1.00 0.29 N ATOM 630 CA LEU A 40 5.241 -2.628 10.919 1.00 0.33 C ATOM 631 C LEU A 40 5.190 -1.859 12.235 1.00 0.29 C ATOM 632 O LEU A 40 4.260 -2.020 13.028 1.00 0.30 O ATOM 633 CB LEU A 40 6.088 -3.911 11.032 1.00 0.39 C ATOM 634 CG LEU A 40 5.607 -4.992 12.020 1.00 0.47 C ATOM 635 CD1 LEU A 40 5.980 -4.647 13.456 1.00 1.47 C ATOM 636 CD2 LEU A 40 4.103 -5.202 11.894 1.00 1.42 C ATOM 0 H LEU A 40 6.701 -2.107 9.517 1.00 0.29 H new ATOM 0 HA LEU A 40 4.221 -2.917 10.666 1.00 0.33 H new ATOM 0 HB2 LEU A 40 6.150 -4.363 10.042 1.00 0.39 H new ATOM 0 HB3 LEU A 40 7.101 -3.623 11.314 1.00 0.39 H new ATOM 0 HG LEU A 40 6.113 -5.922 11.762 1.00 0.47 H new ATOM 0 HD11 LEU A 40 5.624 -5.432 14.123 1.00 1.47 H new ATOM 0 HD12 LEU A 40 7.063 -4.563 13.540 1.00 1.47 H new ATOM 0 HD13 LEU A 40 5.520 -3.699 13.734 1.00 1.47 H new ATOM 0 HD21 LEU A 40 3.782 -5.969 12.599 1.00 1.42 H new ATOM 0 HD22 LEU A 40 3.586 -4.268 12.113 1.00 1.42 H new ATOM 0 HD23 LEU A 40 3.864 -5.520 10.879 1.00 1.42 H new ATOM 648 N ASP A 41 6.186 -1.005 12.440 1.00 0.27 N ATOM 649 CA ASP A 41 6.224 -0.114 13.585 1.00 0.27 C ATOM 650 C ASP A 41 4.937 0.696 13.615 1.00 0.26 C ATOM 651 O ASP A 41 4.233 0.733 14.615 1.00 0.32 O ATOM 652 CB ASP A 41 7.436 0.816 13.470 1.00 0.27 C ATOM 653 CG ASP A 41 8.151 1.057 14.783 1.00 0.55 C ATOM 654 OD1 ASP A 41 8.568 0.073 15.425 1.00 0.86 O ATOM 655 OD2 ASP A 41 8.251 2.227 15.208 1.00 1.31 O ATOM 0 H ASP A 41 6.987 -0.914 11.816 1.00 0.27 H new ATOM 0 HA ASP A 41 6.313 -0.688 14.507 1.00 0.27 H new ATOM 0 HB2 ASP A 41 8.141 0.391 12.756 1.00 0.27 H new ATOM 0 HB3 ASP A 41 7.110 1.774 13.064 1.00 0.27 H new ATOM 660 N ILE A 42 4.610 1.303 12.481 1.00 0.22 N ATOM 661 CA ILE A 42 3.381 2.073 12.356 1.00 0.23 C ATOM 662 C ILE A 42 2.161 1.152 12.311 1.00 0.24 C ATOM 663 O ILE A 42 1.080 1.529 12.740 1.00 0.26 O ATOM 664 CB ILE A 42 3.374 2.965 11.105 1.00 0.22 C ATOM 665 CG1 ILE A 42 4.679 3.774 10.992 1.00 0.20 C ATOM 666 CG2 ILE A 42 2.169 3.893 11.176 1.00 0.28 C ATOM 667 CD1 ILE A 42 4.897 4.738 12.138 1.00 0.22 C ATOM 0 H ILE A 42 5.179 1.276 11.635 1.00 0.22 H new ATOM 0 HA ILE A 42 3.332 2.713 13.237 1.00 0.23 H new ATOM 0 HB ILE A 42 3.305 2.339 10.216 1.00 0.22 H new ATOM 0 HG12 ILE A 42 5.521 3.084 10.944 1.00 0.20 H new ATOM 0 HG13 ILE A 42 4.670 4.332 10.056 1.00 0.20 H new ATOM 0 HG21 ILE A 42 2.150 4.533 10.294 1.00 0.28 H new ATOM 0 HG22 ILE A 42 1.255 3.300 11.214 1.00 0.28 H new ATOM 0 HG23 ILE A 42 2.238 4.511 12.071 1.00 0.28 H new ATOM 0 HD11 ILE A 42 5.835 5.272 11.990 1.00 0.22 H new ATOM 0 HD12 ILE A 42 4.074 5.452 12.174 1.00 0.22 H new ATOM 0 HD13 ILE A 42 4.938 4.185 13.076 1.00 0.22 H new ATOM 679 N VAL A 43 2.327 -0.058 11.795 1.00 0.25 N ATOM 680 CA VAL A 43 1.236 -1.028 11.780 1.00 0.29 C ATOM 681 C VAL A 43 0.776 -1.324 13.201 1.00 0.36 C ATOM 682 O VAL A 43 -0.394 -1.598 13.439 1.00 0.44 O ATOM 683 CB VAL A 43 1.628 -2.342 11.053 1.00 0.36 C ATOM 684 CG1 VAL A 43 0.612 -3.449 11.316 1.00 0.86 C ATOM 685 CG2 VAL A 43 1.742 -2.100 9.557 1.00 0.82 C ATOM 0 H VAL A 43 3.199 -0.392 11.384 1.00 0.25 H new ATOM 0 HA VAL A 43 0.413 -0.584 11.220 1.00 0.29 H new ATOM 0 HB VAL A 43 2.593 -2.662 11.446 1.00 0.36 H new ATOM 0 HG11 VAL A 43 0.917 -4.355 10.792 1.00 0.86 H new ATOM 0 HG12 VAL A 43 0.560 -3.649 12.386 1.00 0.86 H new ATOM 0 HG13 VAL A 43 -0.369 -3.136 10.958 1.00 0.86 H new ATOM 0 HG21 VAL A 43 2.017 -3.029 9.058 1.00 0.82 H new ATOM 0 HG22 VAL A 43 0.784 -1.751 9.171 1.00 0.82 H new ATOM 0 HG23 VAL A 43 2.506 -1.346 9.368 1.00 0.82 H new ATOM 695 N THR A 44 1.692 -1.240 14.151 1.00 0.36 N ATOM 696 CA THR A 44 1.329 -1.424 15.548 1.00 0.43 C ATOM 697 C THR A 44 1.122 -0.066 16.237 1.00 0.44 C ATOM 698 O THR A 44 0.512 0.015 17.301 1.00 0.52 O ATOM 699 CB THR A 44 2.377 -2.275 16.306 1.00 0.45 C ATOM 700 OG1 THR A 44 1.841 -2.705 17.562 1.00 0.54 O ATOM 701 CG2 THR A 44 3.669 -1.508 16.547 1.00 0.42 C ATOM 0 H THR A 44 2.680 -1.048 13.985 1.00 0.36 H new ATOM 0 HA THR A 44 0.387 -1.972 15.574 1.00 0.43 H new ATOM 0 HB THR A 44 2.609 -3.137 15.681 1.00 0.45 H new ATOM 0 HG1 THR A 44 2.509 -3.244 18.035 1.00 0.54 H new ATOM 0 HG21 THR A 44 4.375 -2.143 17.081 1.00 0.42 H new ATOM 0 HG22 THR A 44 4.100 -1.211 15.591 1.00 0.42 H new ATOM 0 HG23 THR A 44 3.459 -0.619 17.142 1.00 0.42 H new ATOM 709 N LYS A 45 1.620 0.996 15.610 1.00 0.39 N ATOM 710 CA LYS A 45 1.453 2.357 16.127 1.00 0.41 C ATOM 711 C LYS A 45 0.107 2.960 15.728 1.00 0.40 C ATOM 712 O LYS A 45 -0.724 3.272 16.582 1.00 0.45 O ATOM 713 CB LYS A 45 2.570 3.249 15.583 1.00 0.40 C ATOM 714 CG LYS A 45 3.871 3.176 16.360 1.00 0.47 C ATOM 715 CD LYS A 45 5.017 3.763 15.554 1.00 0.56 C ATOM 716 CE LYS A 45 6.198 4.120 16.438 1.00 1.19 C ATOM 717 NZ LYS A 45 7.326 4.671 15.648 1.00 2.01 N ATOM 0 H LYS A 45 2.146 0.943 14.738 1.00 0.39 H new ATOM 0 HA LYS A 45 1.494 2.302 17.215 1.00 0.41 H new ATOM 0 HB2 LYS A 45 2.765 2.973 14.547 1.00 0.40 H new ATOM 0 HB3 LYS A 45 2.222 4.282 15.578 1.00 0.40 H new ATOM 0 HG2 LYS A 45 3.768 3.717 17.301 1.00 0.47 H new ATOM 0 HG3 LYS A 45 4.092 2.139 16.611 1.00 0.47 H new ATOM 0 HD2 LYS A 45 5.333 3.047 14.796 1.00 0.56 H new ATOM 0 HD3 LYS A 45 4.674 4.654 15.028 1.00 0.56 H new ATOM 0 HE2 LYS A 45 5.886 4.850 17.185 1.00 1.19 H new ATOM 0 HE3 LYS A 45 6.530 3.233 16.978 1.00 1.19 H new ATOM 0 HZ1 LYS A 45 7.942 5.235 16.268 1.00 2.01 H new ATOM 0 HZ2 LYS A 45 7.874 3.890 15.234 1.00 2.01 H new ATOM 0 HZ3 LYS A 45 6.955 5.275 14.887 1.00 2.01 H new ATOM 731 N GLU A 46 -0.099 3.124 14.428 1.00 0.35 N ATOM 732 CA GLU A 46 -1.314 3.732 13.909 1.00 0.37 C ATOM 733 C GLU A 46 -2.290 2.676 13.409 1.00 0.37 C ATOM 734 O GLU A 46 -3.498 2.905 13.391 1.00 0.41 O ATOM 735 CB GLU A 46 -0.962 4.680 12.765 1.00 0.36 C ATOM 736 CG GLU A 46 0.060 5.735 13.150 1.00 0.39 C ATOM 737 CD GLU A 46 0.297 6.758 12.060 1.00 1.36 C ATOM 738 OE1 GLU A 46 0.260 6.374 10.871 1.00 2.00 O ATOM 739 OE2 GLU A 46 0.537 7.939 12.383 1.00 2.01 O ATOM 0 H GLU A 46 0.567 2.841 13.709 1.00 0.35 H new ATOM 0 HA GLU A 46 -1.791 4.284 14.719 1.00 0.37 H new ATOM 0 HB2 GLU A 46 -0.576 4.099 11.927 1.00 0.36 H new ATOM 0 HB3 GLU A 46 -1.870 5.173 12.419 1.00 0.36 H new ATOM 0 HG2 GLU A 46 -0.276 6.246 14.052 1.00 0.39 H new ATOM 0 HG3 GLU A 46 1.004 5.247 13.393 1.00 0.39 H new ATOM 746 N ARG A 47 -1.753 1.521 13.016 1.00 0.35 N ATOM 747 CA ARG A 47 -2.539 0.454 12.393 1.00 0.35 C ATOM 748 C ARG A 47 -3.143 0.905 11.061 1.00 0.26 C ATOM 749 O ARG A 47 -4.362 0.854 10.890 1.00 0.31 O ATOM 750 CB ARG A 47 -3.660 -0.033 13.326 1.00 0.48 C ATOM 751 CG ARG A 47 -3.289 -1.244 14.156 1.00 0.73 C ATOM 752 CD ARG A 47 -3.417 -2.513 13.333 1.00 1.59 C ATOM 753 NE ARG A 47 -4.760 -3.090 13.416 1.00 2.33 N ATOM 754 CZ ARG A 47 -5.284 -3.920 12.511 1.00 3.40 C ATOM 755 NH1 ARG A 47 -4.630 -4.205 11.388 1.00 3.94 N ATOM 756 NH2 ARG A 47 -6.482 -4.445 12.725 1.00 4.15 N ATOM 0 H ARG A 47 -0.763 1.298 13.120 1.00 0.35 H new ATOM 0 HA ARG A 47 -1.853 -0.372 12.204 1.00 0.35 H new ATOM 0 HB2 ARG A 47 -3.941 0.781 13.995 1.00 0.48 H new ATOM 0 HB3 ARG A 47 -4.539 -0.271 12.727 1.00 0.48 H new ATOM 0 HG2 ARG A 47 -2.267 -1.142 14.522 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -3.936 -1.304 15.031 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -3.180 -2.295 12.292 1.00 1.59 H new ATOM 0 HD3 ARG A 47 -2.687 -3.244 13.679 1.00 1.59 H new ATOM 0 HE ARG A 47 -5.335 -2.841 14.221 1.00 2.33 H new ATOM 0 HH11 ARG A 47 -3.716 -3.788 11.210 1.00 3.94 H new ATOM 0 HH12 ARG A 47 -5.042 -4.841 10.705 1.00 3.94 H new ATOM 0 HH21 ARG A 47 -6.996 -4.214 13.575 1.00 4.15 H new ATOM 0 HH22 ARG A 47 -6.890 -5.080 12.039 1.00 4.15 H new ATOM 770 N PRO A 48 -2.314 1.358 10.094 1.00 0.19 N ATOM 771 CA PRO A 48 -2.814 1.765 8.781 1.00 0.17 C ATOM 772 C PRO A 48 -3.467 0.596 8.036 1.00 0.22 C ATOM 773 O PRO A 48 -3.053 -0.553 8.186 1.00 0.33 O ATOM 774 CB PRO A 48 -1.577 2.269 8.038 1.00 0.19 C ATOM 775 CG PRO A 48 -0.557 2.513 9.098 1.00 0.22 C ATOM 776 CD PRO A 48 -0.850 1.515 10.182 1.00 0.22 C ATOM 0 HA PRO A 48 -3.590 2.526 8.861 1.00 0.17 H new ATOM 0 HB2 PRO A 48 -1.225 1.533 7.315 1.00 0.19 H new ATOM 0 HB3 PRO A 48 -1.795 3.182 7.484 1.00 0.19 H new ATOM 0 HG2 PRO A 48 0.452 2.382 8.708 1.00 0.22 H new ATOM 0 HG3 PRO A 48 -0.622 3.533 9.477 1.00 0.22 H new ATOM 0 HD2 PRO A 48 -0.331 0.571 10.014 1.00 0.22 H new ATOM 0 HD3 PRO A 48 -0.540 1.879 11.162 1.00 0.22 H new ATOM 784 N ASP A 49 -4.484 0.894 7.236 1.00 0.23 N ATOM 785 CA ASP A 49 -5.287 -0.146 6.595 1.00 0.29 C ATOM 786 C ASP A 49 -4.732 -0.502 5.229 1.00 0.25 C ATOM 787 O ASP A 49 -5.016 -1.574 4.691 1.00 0.31 O ATOM 788 CB ASP A 49 -6.738 0.307 6.439 1.00 0.37 C ATOM 789 CG ASP A 49 -7.329 0.831 7.727 1.00 1.20 C ATOM 790 OD1 ASP A 49 -7.751 0.020 8.573 1.00 1.40 O ATOM 791 OD2 ASP A 49 -7.360 2.070 7.901 1.00 2.12 O ATOM 0 H ASP A 49 -4.774 1.847 7.014 1.00 0.23 H new ATOM 0 HA ASP A 49 -5.248 -1.026 7.237 1.00 0.29 H new ATOM 0 HB2 ASP A 49 -6.791 1.085 5.677 1.00 0.37 H new ATOM 0 HB3 ASP A 49 -7.339 -0.530 6.083 1.00 0.37 H new ATOM 796 N LEU A 50 -3.970 0.409 4.648 1.00 0.21 N ATOM 797 CA LEU A 50 -3.336 0.149 3.365 1.00 0.22 C ATOM 798 C LEU A 50 -1.850 0.382 3.478 1.00 0.19 C ATOM 799 O LEU A 50 -1.419 1.268 4.200 1.00 0.20 O ATOM 800 CB LEU A 50 -3.916 1.036 2.258 1.00 0.28 C ATOM 801 CG LEU A 50 -5.390 0.804 1.919 1.00 0.46 C ATOM 802 CD1 LEU A 50 -6.300 1.609 2.839 1.00 1.39 C ATOM 803 CD2 LEU A 50 -5.654 1.145 0.464 1.00 1.21 C ATOM 0 H LEU A 50 -3.776 1.330 5.041 1.00 0.21 H new ATOM 0 HA LEU A 50 -3.531 -0.890 3.098 1.00 0.22 H new ATOM 0 HB2 LEU A 50 -3.790 2.078 2.551 1.00 0.28 H new ATOM 0 HB3 LEU A 50 -3.327 0.886 1.353 1.00 0.28 H new ATOM 0 HG LEU A 50 -5.614 -0.251 2.075 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -7.341 1.424 2.574 1.00 1.39 H new ATOM 0 HD12 LEU A 50 -6.130 1.309 3.873 1.00 1.39 H new ATOM 0 HD13 LEU A 50 -6.081 2.671 2.729 1.00 1.39 H new ATOM 0 HD21 LEU A 50 -6.706 0.976 0.236 1.00 1.21 H new ATOM 0 HD22 LEU A 50 -5.408 2.192 0.285 1.00 1.21 H new ATOM 0 HD23 LEU A 50 -5.038 0.513 -0.175 1.00 1.21 H new ATOM 815 N VAL A 51 -1.063 -0.430 2.801 1.00 0.22 N ATOM 816 CA VAL A 51 0.379 -0.281 2.858 1.00 0.23 C ATOM 817 C VAL A 51 1.001 -0.186 1.472 1.00 0.27 C ATOM 818 O VAL A 51 0.903 -1.103 0.671 1.00 0.48 O ATOM 819 CB VAL A 51 1.041 -1.441 3.620 1.00 0.31 C ATOM 820 CG1 VAL A 51 2.559 -1.326 3.571 1.00 0.34 C ATOM 821 CG2 VAL A 51 0.559 -1.487 5.062 1.00 0.40 C ATOM 0 H VAL A 51 -1.392 -1.193 2.210 1.00 0.22 H new ATOM 0 HA VAL A 51 0.561 0.652 3.391 1.00 0.23 H new ATOM 0 HB VAL A 51 0.751 -2.371 3.131 1.00 0.31 H new ATOM 0 HG11 VAL A 51 3.005 -2.158 4.117 1.00 0.34 H new ATOM 0 HG12 VAL A 51 2.893 -1.352 2.534 1.00 0.34 H new ATOM 0 HG13 VAL A 51 2.868 -0.386 4.027 1.00 0.34 H new ATOM 0 HG21 VAL A 51 1.041 -2.316 5.581 1.00 0.40 H new ATOM 0 HG22 VAL A 51 0.812 -0.551 5.560 1.00 0.40 H new ATOM 0 HG23 VAL A 51 -0.522 -1.627 5.080 1.00 0.40 H new ATOM 831 N LEU A 52 1.629 0.936 1.214 1.00 0.23 N ATOM 832 CA LEU A 52 2.493 1.105 0.066 1.00 0.26 C ATOM 833 C LEU A 52 3.866 0.563 0.421 1.00 0.23 C ATOM 834 O LEU A 52 4.513 1.089 1.311 1.00 0.26 O ATOM 835 CB LEU A 52 2.597 2.590 -0.286 1.00 0.30 C ATOM 836 CG LEU A 52 1.570 3.095 -1.296 1.00 0.45 C ATOM 837 CD1 LEU A 52 1.886 4.519 -1.712 1.00 1.08 C ATOM 838 CD2 LEU A 52 1.519 2.182 -2.515 1.00 1.37 C ATOM 0 H LEU A 52 1.555 1.767 1.800 1.00 0.23 H new ATOM 0 HA LEU A 52 2.089 0.570 -0.793 1.00 0.26 H new ATOM 0 HB2 LEU A 52 2.497 3.171 0.631 1.00 0.30 H new ATOM 0 HB3 LEU A 52 3.595 2.784 -0.679 1.00 0.30 H new ATOM 0 HG LEU A 52 0.590 3.085 -0.819 1.00 0.45 H new ATOM 0 HD11 LEU A 52 1.143 4.861 -2.432 1.00 1.08 H new ATOM 0 HD12 LEU A 52 1.867 5.167 -0.836 1.00 1.08 H new ATOM 0 HD13 LEU A 52 2.876 4.554 -2.168 1.00 1.08 H new ATOM 0 HD21 LEU A 52 0.781 2.560 -3.222 1.00 1.37 H new ATOM 0 HD22 LEU A 52 2.499 2.157 -2.992 1.00 1.37 H new ATOM 0 HD23 LEU A 52 1.241 1.175 -2.204 1.00 1.37 H new ATOM 850 N LEU A 53 4.315 -0.492 -0.230 1.00 0.22 N ATOM 851 CA LEU A 53 5.550 -1.127 0.216 1.00 0.22 C ATOM 852 C LEU A 53 6.568 -1.300 -0.914 1.00 0.19 C ATOM 853 O LEU A 53 6.246 -1.855 -1.972 1.00 0.20 O ATOM 854 CB LEU A 53 5.197 -2.471 0.866 1.00 0.31 C ATOM 855 CG LEU A 53 6.322 -3.194 1.617 1.00 0.49 C ATOM 856 CD1 LEU A 53 7.285 -2.211 2.252 1.00 1.20 C ATOM 857 CD2 LEU A 53 5.725 -4.076 2.695 1.00 0.96 C ATOM 0 H LEU A 53 3.867 -0.919 -1.041 1.00 0.22 H new ATOM 0 HA LEU A 53 6.034 -0.477 0.945 1.00 0.22 H new ATOM 0 HB2 LEU A 53 4.375 -2.306 1.563 1.00 0.31 H new ATOM 0 HB3 LEU A 53 4.826 -3.137 0.088 1.00 0.31 H new ATOM 0 HG LEU A 53 6.875 -3.798 0.897 1.00 0.49 H new ATOM 0 HD11 LEU A 53 8.070 -2.757 2.776 1.00 1.20 H new ATOM 0 HD12 LEU A 53 7.732 -1.588 1.478 1.00 1.20 H new ATOM 0 HD13 LEU A 53 6.747 -1.580 2.960 1.00 1.20 H new ATOM 0 HD21 LEU A 53 6.524 -4.590 3.229 1.00 0.96 H new ATOM 0 HD22 LEU A 53 5.158 -3.462 3.395 1.00 0.96 H new ATOM 0 HD23 LEU A 53 5.063 -4.811 2.238 1.00 0.96 H new ATOM 869 N ASP A 54 7.790 -0.774 -0.698 1.00 0.20 N ATOM 870 CA ASP A 54 8.916 -1.084 -1.566 1.00 0.19 C ATOM 871 C ASP A 54 9.817 -2.135 -0.912 1.00 0.18 C ATOM 872 O ASP A 54 10.109 -2.071 0.282 1.00 0.24 O ATOM 873 CB ASP A 54 9.721 0.180 -1.889 1.00 0.23 C ATOM 874 CG ASP A 54 10.952 -0.112 -2.727 1.00 0.36 C ATOM 875 OD1 ASP A 54 10.890 -1.012 -3.593 1.00 0.27 O ATOM 876 OD2 ASP A 54 11.985 0.565 -2.521 1.00 0.83 O ATOM 0 H ASP A 54 8.010 -0.138 0.068 1.00 0.20 H new ATOM 0 HA ASP A 54 8.526 -1.487 -2.500 1.00 0.19 H new ATOM 0 HB2 ASP A 54 9.083 0.887 -2.420 1.00 0.23 H new ATOM 0 HB3 ASP A 54 10.024 0.661 -0.959 1.00 0.23 H new ATOM 881 N MET A 55 10.227 -3.118 -1.701 1.00 0.27 N ATOM 882 CA MET A 55 11.114 -4.179 -1.242 1.00 0.31 C ATOM 883 C MET A 55 12.562 -3.793 -1.513 1.00 0.32 C ATOM 884 O MET A 55 13.488 -4.304 -0.880 1.00 0.43 O ATOM 885 CB MET A 55 10.743 -5.497 -1.940 1.00 0.38 C ATOM 886 CG MET A 55 11.780 -6.608 -1.829 1.00 0.48 C ATOM 887 SD MET A 55 13.015 -6.550 -3.144 1.00 1.23 S ATOM 888 CE MET A 55 13.985 -8.008 -2.762 1.00 1.60 C ATOM 0 H MET A 55 9.954 -3.203 -2.680 1.00 0.27 H new ATOM 0 HA MET A 55 11.000 -4.320 -0.167 1.00 0.31 H new ATOM 0 HB2 MET A 55 9.803 -5.857 -1.523 1.00 0.38 H new ATOM 0 HB3 MET A 55 10.566 -5.292 -2.996 1.00 0.38 H new ATOM 0 HG2 MET A 55 12.281 -6.535 -0.864 1.00 0.48 H new ATOM 0 HG3 MET A 55 11.275 -7.574 -1.854 1.00 0.48 H new ATOM 0 HE1 MET A 55 14.791 -8.110 -3.489 1.00 1.60 H new ATOM 0 HE2 MET A 55 14.408 -7.912 -1.762 1.00 1.60 H new ATOM 0 HE3 MET A 55 13.347 -8.891 -2.802 1.00 1.60 H new ATOM 898 N LYS A 56 12.736 -2.843 -2.424 1.00 0.29 N ATOM 899 CA LYS A 56 14.052 -2.317 -2.773 1.00 0.35 C ATOM 900 C LYS A 56 14.495 -1.334 -1.700 1.00 0.30 C ATOM 901 O LYS A 56 15.520 -0.662 -1.828 1.00 0.37 O ATOM 902 CB LYS A 56 13.987 -1.595 -4.124 1.00 0.49 C ATOM 903 CG LYS A 56 13.257 -2.376 -5.202 1.00 0.76 C ATOM 904 CD LYS A 56 12.784 -1.471 -6.329 1.00 1.11 C ATOM 905 CE LYS A 56 11.894 -2.226 -7.303 1.00 1.26 C ATOM 906 NZ LYS A 56 12.643 -3.291 -8.025 1.00 2.37 N ATOM 0 H LYS A 56 11.969 -2.415 -2.942 1.00 0.29 H new ATOM 0 HA LYS A 56 14.763 -3.141 -2.842 1.00 0.35 H new ATOM 0 HB2 LYS A 56 13.493 -0.633 -3.988 1.00 0.49 H new ATOM 0 HB3 LYS A 56 15.002 -1.387 -4.463 1.00 0.49 H new ATOM 0 HG2 LYS A 56 13.917 -3.144 -5.605 1.00 0.76 H new ATOM 0 HG3 LYS A 56 12.401 -2.889 -4.763 1.00 0.76 H new ATOM 0 HD2 LYS A 56 12.237 -0.624 -5.914 1.00 1.11 H new ATOM 0 HD3 LYS A 56 13.646 -1.065 -6.859 1.00 1.11 H new ATOM 0 HE2 LYS A 56 11.059 -2.672 -6.762 1.00 1.26 H new ATOM 0 HE3 LYS A 56 11.470 -1.527 -8.024 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 12.020 -3.738 -8.728 1.00 2.37 H new ATOM 0 HZ2 LYS A 56 13.464 -2.872 -8.507 1.00 2.37 H new ATOM 0 HZ3 LYS A 56 12.969 -4.008 -7.346 1.00 2.37 H new ATOM 920 N ILE A 57 13.717 -1.280 -0.633 1.00 0.24 N ATOM 921 CA ILE A 57 13.902 -0.308 0.413 1.00 0.24 C ATOM 922 C ILE A 57 15.063 -0.727 1.329 1.00 0.29 C ATOM 923 O ILE A 57 15.118 -1.858 1.824 1.00 0.32 O ATOM 924 CB ILE A 57 12.562 -0.107 1.190 1.00 0.22 C ATOM 925 CG1 ILE A 57 12.271 1.376 1.339 1.00 0.24 C ATOM 926 CG2 ILE A 57 12.561 -0.790 2.554 1.00 0.25 C ATOM 927 CD1 ILE A 57 13.238 2.118 2.222 1.00 0.29 C ATOM 0 H ILE A 57 12.936 -1.917 -0.474 1.00 0.24 H new ATOM 0 HA ILE A 57 14.174 0.655 -0.019 1.00 0.24 H new ATOM 0 HB ILE A 57 11.774 -0.581 0.604 1.00 0.22 H new ATOM 0 HG12 ILE A 57 12.276 1.835 0.350 1.00 0.24 H new ATOM 0 HG13 ILE A 57 11.265 1.497 1.741 1.00 0.24 H new ATOM 0 HG21 ILE A 57 11.605 -0.616 3.047 1.00 0.25 H new ATOM 0 HG22 ILE A 57 12.713 -1.862 2.424 1.00 0.25 H new ATOM 0 HG23 ILE A 57 13.365 -0.381 3.166 1.00 0.25 H new ATOM 0 HD11 ILE A 57 12.953 3.169 2.271 1.00 0.29 H new ATOM 0 HD12 ILE A 57 13.218 1.690 3.224 1.00 0.29 H new ATOM 0 HD13 ILE A 57 14.244 2.033 1.812 1.00 0.29 H new ATOM 939 N PRO A 58 16.058 0.163 1.470 1.00 0.33 N ATOM 940 CA PRO A 58 17.239 -0.070 2.309 1.00 0.38 C ATOM 941 C PRO A 58 16.886 -0.308 3.773 1.00 0.37 C ATOM 942 O PRO A 58 16.185 0.491 4.394 1.00 0.37 O ATOM 943 CB PRO A 58 18.054 1.212 2.165 1.00 0.43 C ATOM 944 CG PRO A 58 17.548 1.866 0.925 1.00 0.41 C ATOM 945 CD PRO A 58 16.113 1.468 0.796 1.00 0.36 C ATOM 0 HA PRO A 58 17.774 -0.967 1.996 1.00 0.38 H new ATOM 0 HB2 PRO A 58 17.924 1.860 3.032 1.00 0.43 H new ATOM 0 HB3 PRO A 58 19.119 0.994 2.087 1.00 0.43 H new ATOM 0 HG2 PRO A 58 17.647 2.950 0.989 1.00 0.41 H new ATOM 0 HG3 PRO A 58 18.120 1.545 0.055 1.00 0.41 H new ATOM 0 HD2 PRO A 58 15.451 2.193 1.270 1.00 0.36 H new ATOM 0 HD3 PRO A 58 15.809 1.394 -0.248 1.00 0.36 H new ATOM 953 N GLY A 59 17.386 -1.407 4.315 1.00 0.41 N ATOM 954 CA GLY A 59 17.102 -1.757 5.689 1.00 0.44 C ATOM 955 C GLY A 59 16.581 -3.169 5.800 1.00 0.42 C ATOM 956 O GLY A 59 17.351 -4.114 5.946 1.00 0.55 O ATOM 0 H GLY A 59 17.988 -2.067 3.823 1.00 0.41 H new ATOM 0 HA2 GLY A 59 18.007 -1.653 6.287 1.00 0.44 H new ATOM 0 HA3 GLY A 59 16.368 -1.063 6.099 1.00 0.44 H new ATOM 960 N MET A 60 15.271 -3.313 5.706 1.00 0.38 N ATOM 961 CA MET A 60 14.640 -4.623 5.749 1.00 0.39 C ATOM 962 C MET A 60 14.025 -4.955 4.398 1.00 0.36 C ATOM 963 O MET A 60 13.800 -4.066 3.575 1.00 0.34 O ATOM 964 CB MET A 60 13.553 -4.680 6.830 1.00 0.40 C ATOM 965 CG MET A 60 14.073 -4.693 8.274 1.00 0.53 C ATOM 966 SD MET A 60 14.691 -6.310 8.801 1.00 0.78 S ATOM 967 CE MET A 60 16.198 -6.470 7.845 1.00 1.51 C ATOM 0 H MET A 60 14.620 -2.536 5.599 1.00 0.38 H new ATOM 0 HA MET A 60 15.411 -5.355 5.991 1.00 0.39 H new ATOM 0 HB2 MET A 60 12.893 -3.822 6.705 1.00 0.40 H new ATOM 0 HB3 MET A 60 12.949 -5.573 6.669 1.00 0.40 H new ATOM 0 HG2 MET A 60 14.872 -3.958 8.371 1.00 0.53 H new ATOM 0 HG3 MET A 60 13.271 -4.383 8.944 1.00 0.53 H new ATOM 0 HE1 MET A 60 16.897 -7.118 8.374 1.00 1.51 H new ATOM 0 HE2 MET A 60 15.967 -6.903 6.872 1.00 1.51 H new ATOM 0 HE3 MET A 60 16.648 -5.487 7.707 1.00 1.51 H new ATOM 977 N ASP A 61 13.728 -6.226 4.180 1.00 0.38 N ATOM 978 CA ASP A 61 13.121 -6.650 2.920 1.00 0.38 C ATOM 979 C ASP A 61 11.637 -6.438 2.994 1.00 0.32 C ATOM 980 O ASP A 61 10.915 -7.265 3.547 1.00 0.33 O ATOM 981 CB ASP A 61 13.402 -8.105 2.582 1.00 0.48 C ATOM 982 CG ASP A 61 14.879 -8.438 2.598 1.00 0.70 C ATOM 983 OD1 ASP A 61 15.557 -8.207 1.574 1.00 0.88 O ATOM 984 OD2 ASP A 61 15.365 -8.940 3.634 1.00 0.84 O ATOM 0 H ASP A 61 13.894 -6.978 4.849 1.00 0.38 H new ATOM 0 HA ASP A 61 13.567 -6.047 2.129 1.00 0.38 H new ATOM 0 HB2 ASP A 61 12.882 -8.745 3.295 1.00 0.48 H new ATOM 0 HB3 ASP A 61 12.995 -8.329 1.596 1.00 0.48 H new ATOM 989 N GLY A 62 11.191 -5.315 2.454 1.00 0.33 N ATOM 990 CA GLY A 62 9.790 -4.962 2.510 1.00 0.37 C ATOM 991 C GLY A 62 8.887 -6.079 2.044 1.00 0.36 C ATOM 992 O GLY A 62 7.784 -6.231 2.552 1.00 0.40 O ATOM 0 H GLY A 62 11.782 -4.636 1.974 1.00 0.33 H new ATOM 0 HA2 GLY A 62 9.528 -4.692 3.533 1.00 0.37 H new ATOM 0 HA3 GLY A 62 9.617 -4.080 1.894 1.00 0.37 H new ATOM 996 N ILE A 63 9.363 -6.888 1.104 1.00 0.35 N ATOM 997 CA ILE A 63 8.554 -7.972 0.587 1.00 0.36 C ATOM 998 C ILE A 63 8.177 -8.944 1.705 1.00 0.32 C ATOM 999 O ILE A 63 7.021 -9.330 1.834 1.00 0.33 O ATOM 1000 CB ILE A 63 9.234 -8.726 -0.586 1.00 0.42 C ATOM 1001 CG1 ILE A 63 8.216 -9.645 -1.253 1.00 0.64 C ATOM 1002 CG2 ILE A 63 10.464 -9.507 -0.132 1.00 0.39 C ATOM 1003 CD1 ILE A 63 7.002 -8.895 -1.759 1.00 1.60 C ATOM 0 H ILE A 63 10.293 -6.811 0.692 1.00 0.35 H new ATOM 0 HA ILE A 63 7.647 -7.521 0.185 1.00 0.36 H new ATOM 0 HB ILE A 63 9.586 -7.989 -1.308 1.00 0.42 H new ATOM 0 HG12 ILE A 63 8.691 -10.165 -2.085 1.00 0.64 H new ATOM 0 HG13 ILE A 63 7.898 -10.407 -0.541 1.00 0.64 H new ATOM 0 HG21 ILE A 63 10.906 -10.018 -0.987 1.00 0.39 H new ATOM 0 HG22 ILE A 63 11.193 -8.820 0.297 1.00 0.39 H new ATOM 0 HG23 ILE A 63 10.172 -10.241 0.619 1.00 0.39 H new ATOM 0 HD11 ILE A 63 6.309 -9.596 -2.225 1.00 1.60 H new ATOM 0 HD12 ILE A 63 6.508 -8.397 -0.925 1.00 1.60 H new ATOM 0 HD13 ILE A 63 7.313 -8.151 -2.492 1.00 1.60 H new ATOM 1015 N GLU A 64 9.157 -9.291 2.526 1.00 0.31 N ATOM 1016 CA GLU A 64 8.963 -10.175 3.663 1.00 0.33 C ATOM 1017 C GLU A 64 7.902 -9.621 4.604 1.00 0.28 C ATOM 1018 O GLU A 64 6.987 -10.337 5.030 1.00 0.30 O ATOM 1019 CB GLU A 64 10.286 -10.322 4.409 1.00 0.40 C ATOM 1020 CG GLU A 64 11.455 -10.684 3.507 1.00 0.49 C ATOM 1021 CD GLU A 64 11.312 -12.066 2.906 1.00 0.69 C ATOM 1022 OE1 GLU A 64 10.618 -12.199 1.877 1.00 0.86 O ATOM 1023 OE2 GLU A 64 11.912 -13.022 3.438 1.00 0.97 O ATOM 0 H GLU A 64 10.117 -8.963 2.420 1.00 0.31 H new ATOM 0 HA GLU A 64 8.626 -11.147 3.303 1.00 0.33 H new ATOM 0 HB2 GLU A 64 10.510 -9.387 4.923 1.00 0.40 H new ATOM 0 HB3 GLU A 64 10.178 -11.089 5.176 1.00 0.40 H new ATOM 0 HG2 GLU A 64 11.534 -9.949 2.706 1.00 0.49 H new ATOM 0 HG3 GLU A 64 12.381 -10.633 4.079 1.00 0.49 H new ATOM 1030 N ILE A 65 8.028 -8.337 4.912 1.00 0.27 N ATOM 1031 CA ILE A 65 7.083 -7.667 5.793 1.00 0.27 C ATOM 1032 C ILE A 65 5.689 -7.671 5.172 1.00 0.27 C ATOM 1033 O ILE A 65 4.703 -7.867 5.870 1.00 0.29 O ATOM 1034 CB ILE A 65 7.504 -6.208 6.116 1.00 0.28 C ATOM 1035 CG1 ILE A 65 8.760 -6.158 7.000 1.00 0.30 C ATOM 1036 CG2 ILE A 65 6.371 -5.474 6.808 1.00 0.34 C ATOM 1037 CD1 ILE A 65 10.045 -6.496 6.284 1.00 0.32 C ATOM 0 H ILE A 65 8.777 -7.738 4.564 1.00 0.27 H new ATOM 0 HA ILE A 65 7.075 -8.223 6.731 1.00 0.27 H new ATOM 0 HB ILE A 65 7.735 -5.721 5.169 1.00 0.28 H new ATOM 0 HG12 ILE A 65 8.849 -5.159 7.426 1.00 0.30 H new ATOM 0 HG13 ILE A 65 8.630 -6.850 7.833 1.00 0.30 H new ATOM 0 HG21 ILE A 65 6.680 -4.452 7.028 1.00 0.34 H new ATOM 0 HG22 ILE A 65 5.497 -5.456 6.156 1.00 0.34 H new ATOM 0 HG23 ILE A 65 6.120 -5.986 7.737 1.00 0.34 H new ATOM 0 HD11 ILE A 65 10.878 -6.436 6.984 1.00 0.32 H new ATOM 0 HD12 ILE A 65 9.982 -7.507 5.881 1.00 0.32 H new ATOM 0 HD13 ILE A 65 10.204 -5.790 5.469 1.00 0.32 H new ATOM 1049 N LEU A 66 5.627 -7.476 3.859 1.00 0.29 N ATOM 1050 CA LEU A 66 4.360 -7.487 3.126 1.00 0.34 C ATOM 1051 C LEU A 66 3.649 -8.819 3.327 1.00 0.32 C ATOM 1052 O LEU A 66 2.443 -8.862 3.590 1.00 0.34 O ATOM 1053 CB LEU A 66 4.627 -7.237 1.629 1.00 0.52 C ATOM 1054 CG LEU A 66 3.428 -6.789 0.774 1.00 1.02 C ATOM 1055 CD1 LEU A 66 2.382 -7.888 0.637 1.00 1.98 C ATOM 1056 CD2 LEU A 66 2.810 -5.532 1.359 1.00 1.67 C ATOM 0 H LEU A 66 6.445 -7.307 3.274 1.00 0.29 H new ATOM 0 HA LEU A 66 3.716 -6.694 3.507 1.00 0.34 H new ATOM 0 HB2 LEU A 66 5.406 -6.479 1.545 1.00 0.52 H new ATOM 0 HB3 LEU A 66 5.027 -8.155 1.198 1.00 0.52 H new ATOM 0 HG LEU A 66 3.799 -6.572 -0.228 1.00 1.02 H new ATOM 0 HD11 LEU A 66 1.554 -7.528 0.026 1.00 1.98 H new ATOM 0 HD12 LEU A 66 2.831 -8.760 0.162 1.00 1.98 H new ATOM 0 HD13 LEU A 66 2.011 -8.163 1.625 1.00 1.98 H new ATOM 0 HD21 LEU A 66 1.963 -5.224 0.746 1.00 1.67 H new ATOM 0 HD22 LEU A 66 2.469 -5.733 2.375 1.00 1.67 H new ATOM 0 HD23 LEU A 66 3.554 -4.735 1.377 1.00 1.67 H new ATOM 1068 N LYS A 67 4.401 -9.903 3.206 1.00 0.32 N ATOM 1069 CA LYS A 67 3.846 -11.236 3.382 1.00 0.37 C ATOM 1070 C LYS A 67 3.286 -11.378 4.794 1.00 0.38 C ATOM 1071 O LYS A 67 2.176 -11.874 4.978 1.00 0.44 O ATOM 1072 CB LYS A 67 4.918 -12.292 3.105 1.00 0.42 C ATOM 1073 CG LYS A 67 5.812 -11.924 1.935 1.00 0.40 C ATOM 1074 CD LYS A 67 7.030 -12.828 1.790 1.00 0.43 C ATOM 1075 CE LYS A 67 7.618 -13.238 3.131 1.00 1.34 C ATOM 1076 NZ LYS A 67 8.885 -13.998 2.961 1.00 1.27 N ATOM 0 H LYS A 67 5.397 -9.885 2.987 1.00 0.32 H new ATOM 0 HA LYS A 67 3.032 -11.387 2.673 1.00 0.37 H new ATOM 0 HB2 LYS A 67 5.530 -12.426 3.997 1.00 0.42 H new ATOM 0 HB3 LYS A 67 4.436 -13.249 2.903 1.00 0.42 H new ATOM 0 HG2 LYS A 67 5.228 -11.965 1.015 1.00 0.40 H new ATOM 0 HG3 LYS A 67 6.147 -10.894 2.054 1.00 0.40 H new ATOM 0 HD2 LYS A 67 6.750 -13.722 1.232 1.00 0.43 H new ATOM 0 HD3 LYS A 67 7.792 -12.313 1.206 1.00 0.43 H new ATOM 0 HE2 LYS A 67 7.804 -12.350 3.735 1.00 1.34 H new ATOM 0 HE3 LYS A 67 6.897 -13.848 3.675 1.00 1.34 H new ATOM 0 HZ1 LYS A 67 9.371 -14.071 3.877 1.00 1.27 H new ATOM 0 HZ2 LYS A 67 8.673 -14.952 2.604 1.00 1.27 H new ATOM 0 HZ3 LYS A 67 9.498 -13.503 2.282 1.00 1.27 H new ATOM 1090 N ARG A 68 4.049 -10.918 5.784 1.00 0.35 N ATOM 1091 CA ARG A 68 3.593 -10.906 7.161 1.00 0.41 C ATOM 1092 C ARG A 68 2.359 -10.024 7.331 1.00 0.39 C ATOM 1093 O ARG A 68 1.431 -10.412 8.005 1.00 0.46 O ATOM 1094 CB ARG A 68 4.715 -10.410 8.055 1.00 0.45 C ATOM 1095 CG ARG A 68 4.505 -10.721 9.519 1.00 0.49 C ATOM 1096 CD ARG A 68 5.840 -10.890 10.203 1.00 1.11 C ATOM 1097 NE ARG A 68 6.413 -9.623 10.647 1.00 1.70 N ATOM 1098 CZ ARG A 68 7.649 -9.223 10.358 1.00 2.45 C ATOM 1099 NH1 ARG A 68 8.426 -9.962 9.575 1.00 2.71 N ATOM 1100 NH2 ARG A 68 8.113 -8.086 10.858 1.00 3.22 N ATOM 0 H ARG A 68 4.990 -10.548 5.650 1.00 0.35 H new ATOM 0 HA ARG A 68 3.315 -11.922 7.443 1.00 0.41 H new ATOM 0 HB2 ARG A 68 5.654 -10.858 7.728 1.00 0.45 H new ATOM 0 HB3 ARG A 68 4.816 -9.332 7.932 1.00 0.45 H new ATOM 0 HG2 ARG A 68 3.942 -9.917 9.994 1.00 0.49 H new ATOM 0 HG3 ARG A 68 3.914 -11.630 9.626 1.00 0.49 H new ATOM 0 HD2 ARG A 68 5.722 -11.551 11.062 1.00 1.11 H new ATOM 0 HD3 ARG A 68 6.534 -11.378 9.519 1.00 1.11 H new ATOM 0 HE ARG A 68 5.830 -9.006 11.213 1.00 1.70 H new ATOM 0 HH11 ARG A 68 8.076 -10.840 9.192 1.00 2.71 H new ATOM 0 HH12 ARG A 68 9.373 -9.651 9.356 1.00 2.71 H new ATOM 0 HH21 ARG A 68 7.523 -7.517 11.465 1.00 3.22 H new ATOM 0 HH22 ARG A 68 9.060 -7.780 10.636 1.00 3.22 H new ATOM 1114 N MET A 69 2.349 -8.845 6.718 1.00 0.34 N ATOM 1115 CA MET A 69 1.211 -7.930 6.832 1.00 0.36 C ATOM 1116 C MET A 69 -0.077 -8.588 6.374 1.00 0.41 C ATOM 1117 O MET A 69 -1.075 -8.600 7.107 1.00 0.45 O ATOM 1118 CB MET A 69 1.435 -6.672 6.002 1.00 0.38 C ATOM 1119 CG MET A 69 2.532 -5.775 6.532 1.00 0.42 C ATOM 1120 SD MET A 69 2.757 -4.306 5.516 1.00 1.16 S ATOM 1121 CE MET A 69 3.754 -3.288 6.596 1.00 1.18 C ATOM 0 H MET A 69 3.113 -8.498 6.138 1.00 0.34 H new ATOM 0 HA MET A 69 1.126 -7.665 7.886 1.00 0.36 H new ATOM 0 HB2 MET A 69 1.678 -6.962 4.980 1.00 0.38 H new ATOM 0 HB3 MET A 69 0.505 -6.106 5.960 1.00 0.38 H new ATOM 0 HG2 MET A 69 2.294 -5.476 7.553 1.00 0.42 H new ATOM 0 HG3 MET A 69 3.467 -6.333 6.574 1.00 0.42 H new ATOM 0 HE1 MET A 69 3.296 -2.304 6.693 1.00 1.18 H new ATOM 0 HE2 MET A 69 3.821 -3.756 7.578 1.00 1.18 H new ATOM 0 HE3 MET A 69 4.754 -3.183 6.176 1.00 1.18 H new ATOM 1131 N LYS A 70 -0.059 -9.124 5.155 1.00 0.47 N ATOM 1132 CA LYS A 70 -1.209 -9.856 4.644 1.00 0.60 C ATOM 1133 C LYS A 70 -1.529 -10.985 5.623 1.00 0.66 C ATOM 1134 O LYS A 70 -2.682 -11.319 5.854 1.00 0.90 O ATOM 1135 CB LYS A 70 -0.945 -10.395 3.208 1.00 0.80 C ATOM 1136 CG LYS A 70 -0.512 -11.864 3.115 1.00 0.98 C ATOM 1137 CD LYS A 70 -1.701 -12.815 3.279 1.00 1.71 C ATOM 1138 CE LYS A 70 -1.273 -14.213 3.694 1.00 2.51 C ATOM 1139 NZ LYS A 70 -2.439 -15.063 4.073 1.00 3.32 N ATOM 0 H LYS A 70 0.730 -9.065 4.512 1.00 0.47 H new ATOM 0 HA LYS A 70 -2.068 -9.189 4.565 1.00 0.60 H new ATOM 0 HB2 LYS A 70 -1.853 -10.266 2.619 1.00 0.80 H new ATOM 0 HB3 LYS A 70 -0.174 -9.779 2.745 1.00 0.80 H new ATOM 0 HG2 LYS A 70 -0.033 -12.042 2.152 1.00 0.98 H new ATOM 0 HG3 LYS A 70 0.231 -12.074 3.884 1.00 0.98 H new ATOM 0 HD2 LYS A 70 -2.385 -12.411 4.025 1.00 1.71 H new ATOM 0 HD3 LYS A 70 -2.251 -12.870 2.339 1.00 1.71 H new ATOM 0 HE2 LYS A 70 -0.731 -14.685 2.874 1.00 2.51 H new ATOM 0 HE3 LYS A 70 -0.583 -14.147 4.536 1.00 2.51 H new ATOM 0 HZ1 LYS A 70 -2.146 -16.061 4.103 1.00 3.32 H new ATOM 0 HZ2 LYS A 70 -2.787 -14.776 5.010 1.00 3.32 H new ATOM 0 HZ3 LYS A 70 -3.197 -14.945 3.371 1.00 3.32 H new ATOM 1153 N VAL A 71 -0.474 -11.542 6.201 1.00 0.59 N ATOM 1154 CA VAL A 71 -0.570 -12.622 7.177 1.00 0.66 C ATOM 1155 C VAL A 71 -1.208 -12.157 8.501 1.00 0.67 C ATOM 1156 O VAL A 71 -1.918 -12.924 9.155 1.00 0.79 O ATOM 1157 CB VAL A 71 0.839 -13.220 7.400 1.00 0.65 C ATOM 1158 CG1 VAL A 71 1.111 -13.552 8.847 1.00 0.76 C ATOM 1159 CG2 VAL A 71 1.022 -14.452 6.533 1.00 0.75 C ATOM 0 H VAL A 71 0.485 -11.254 6.004 1.00 0.59 H new ATOM 0 HA VAL A 71 -1.232 -13.393 6.784 1.00 0.66 H new ATOM 0 HB VAL A 71 1.561 -12.456 7.112 1.00 0.65 H new ATOM 0 HG11 VAL A 71 2.114 -13.968 8.943 1.00 0.76 H new ATOM 0 HG12 VAL A 71 1.035 -12.646 9.449 1.00 0.76 H new ATOM 0 HG13 VAL A 71 0.381 -14.282 9.196 1.00 0.76 H new ATOM 0 HG21 VAL A 71 2.017 -14.867 6.696 1.00 0.75 H new ATOM 0 HG22 VAL A 71 0.271 -15.197 6.796 1.00 0.75 H new ATOM 0 HG23 VAL A 71 0.910 -14.178 5.484 1.00 0.75 H new ATOM 1169 N ILE A 72 -0.975 -10.902 8.876 1.00 0.59 N ATOM 1170 CA ILE A 72 -1.484 -10.370 10.138 1.00 0.64 C ATOM 1171 C ILE A 72 -2.970 -10.038 10.036 1.00 0.66 C ATOM 1172 O ILE A 72 -3.736 -10.261 10.977 1.00 0.77 O ATOM 1173 CB ILE A 72 -0.739 -9.082 10.576 1.00 0.62 C ATOM 1174 CG1 ILE A 72 0.780 -9.275 10.510 1.00 0.57 C ATOM 1175 CG2 ILE A 72 -1.167 -8.673 11.980 1.00 0.79 C ATOM 1176 CD1 ILE A 72 1.580 -8.131 11.096 1.00 1.48 C ATOM 0 H ILE A 72 -0.437 -10.234 8.324 1.00 0.59 H new ATOM 0 HA ILE A 72 -1.318 -11.152 10.879 1.00 0.64 H new ATOM 0 HB ILE A 72 -1.006 -8.283 9.884 1.00 0.62 H new ATOM 0 HG12 ILE A 72 1.041 -10.193 11.037 1.00 0.57 H new ATOM 0 HG13 ILE A 72 1.072 -9.411 9.469 1.00 0.57 H new ATOM 0 HG21 ILE A 72 -0.636 -7.768 12.273 1.00 0.79 H new ATOM 0 HG22 ILE A 72 -2.240 -8.484 11.993 1.00 0.79 H new ATOM 0 HG23 ILE A 72 -0.932 -9.475 12.680 1.00 0.79 H new ATOM 0 HD11 ILE A 72 2.644 -8.349 11.009 1.00 1.48 H new ATOM 0 HD12 ILE A 72 1.352 -7.213 10.555 1.00 1.48 H new ATOM 0 HD13 ILE A 72 1.320 -8.006 12.147 1.00 1.48 H new ATOM 1188 N ASP A 73 -3.376 -9.500 8.896 1.00 0.61 N ATOM 1189 CA ASP A 73 -4.730 -8.976 8.758 1.00 0.67 C ATOM 1190 C ASP A 73 -5.578 -9.832 7.815 1.00 0.72 C ATOM 1191 O ASP A 73 -6.640 -10.328 8.197 1.00 0.85 O ATOM 1192 CB ASP A 73 -4.663 -7.540 8.247 1.00 0.64 C ATOM 1193 CG ASP A 73 -5.852 -6.715 8.674 1.00 0.97 C ATOM 1194 OD1 ASP A 73 -6.876 -6.749 7.975 1.00 1.88 O ATOM 1195 OD2 ASP A 73 -5.764 -6.032 9.717 1.00 0.91 O ATOM 0 H ASP A 73 -2.797 -9.414 8.061 1.00 0.61 H new ATOM 0 HA ASP A 73 -5.208 -9.002 9.737 1.00 0.67 H new ATOM 0 HB2 ASP A 73 -3.750 -7.071 8.613 1.00 0.64 H new ATOM 0 HB3 ASP A 73 -4.603 -7.548 7.159 1.00 0.64 H new ATOM 1200 N GLU A 74 -5.108 -9.944 6.569 1.00 0.67 N ATOM 1201 CA GLU A 74 -5.737 -10.754 5.508 1.00 0.75 C ATOM 1202 C GLU A 74 -6.892 -9.983 4.905 1.00 0.74 C ATOM 1203 O GLU A 74 -7.648 -10.480 4.071 1.00 0.86 O ATOM 1204 CB GLU A 74 -6.189 -12.128 6.016 1.00 0.88 C ATOM 1205 CG GLU A 74 -5.042 -12.971 6.550 1.00 0.99 C ATOM 1206 CD GLU A 74 -5.478 -14.334 7.035 1.00 1.19 C ATOM 1207 OE1 GLU A 74 -6.048 -14.420 8.143 1.00 1.31 O ATOM 1208 OE2 GLU A 74 -5.265 -15.329 6.310 1.00 1.31 O ATOM 0 H GLU A 74 -4.262 -9.466 6.258 1.00 0.67 H new ATOM 0 HA GLU A 74 -4.991 -10.945 4.737 1.00 0.75 H new ATOM 0 HB2 GLU A 74 -6.930 -11.992 6.804 1.00 0.88 H new ATOM 0 HB3 GLU A 74 -6.681 -12.665 5.205 1.00 0.88 H new ATOM 0 HG2 GLU A 74 -4.295 -13.094 5.766 1.00 0.99 H new ATOM 0 HG3 GLU A 74 -4.560 -12.438 7.370 1.00 0.99 H new ATOM 1215 N ASN A 75 -6.990 -8.749 5.350 1.00 0.68 N ATOM 1216 CA ASN A 75 -7.999 -7.816 4.892 1.00 0.74 C ATOM 1217 C ASN A 75 -7.324 -6.520 4.475 1.00 0.67 C ATOM 1218 O ASN A 75 -7.863 -5.731 3.700 1.00 0.76 O ATOM 1219 CB ASN A 75 -8.963 -7.553 6.033 1.00 0.85 C ATOM 1220 CG ASN A 75 -9.835 -8.749 6.338 1.00 0.95 C ATOM 1221 OD1 ASN A 75 -10.965 -8.858 5.855 1.00 1.14 O ATOM 1222 ND2 ASN A 75 -9.306 -9.665 7.129 1.00 1.00 N ATOM 0 H ASN A 75 -6.361 -8.359 6.052 1.00 0.68 H new ATOM 0 HA ASN A 75 -8.541 -8.226 4.040 1.00 0.74 H new ATOM 0 HB2 ASN A 75 -8.400 -7.281 6.925 1.00 0.85 H new ATOM 0 HB3 ASN A 75 -9.595 -6.701 5.782 1.00 0.85 H new ATOM 0 HD21 ASN A 75 -9.836 -10.504 7.363 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -8.367 -9.533 7.506 1.00 1.00 H new ATOM 1229 N ILE A 76 -6.128 -6.329 5.021 1.00 0.57 N ATOM 1230 CA ILE A 76 -5.307 -5.161 4.765 1.00 0.51 C ATOM 1231 C ILE A 76 -5.027 -5.001 3.276 1.00 0.40 C ATOM 1232 O ILE A 76 -4.594 -5.940 2.600 1.00 0.36 O ATOM 1233 CB ILE A 76 -3.978 -5.246 5.554 1.00 0.51 C ATOM 1234 CG1 ILE A 76 -3.163 -3.973 5.348 1.00 0.52 C ATOM 1235 CG2 ILE A 76 -3.173 -6.483 5.154 1.00 0.48 C ATOM 1236 CD1 ILE A 76 -1.918 -3.897 6.206 1.00 0.59 C ATOM 0 H ILE A 76 -5.699 -6.995 5.664 1.00 0.57 H new ATOM 0 HA ILE A 76 -5.860 -4.284 5.103 1.00 0.51 H new ATOM 0 HB ILE A 76 -4.214 -5.340 6.614 1.00 0.51 H new ATOM 0 HG12 ILE A 76 -2.875 -3.904 4.299 1.00 0.52 H new ATOM 0 HG13 ILE A 76 -3.794 -3.110 5.563 1.00 0.52 H new ATOM 0 HG21 ILE A 76 -2.245 -6.514 5.726 1.00 0.48 H new ATOM 0 HG22 ILE A 76 -3.757 -7.380 5.361 1.00 0.48 H new ATOM 0 HG23 ILE A 76 -2.942 -6.438 4.090 1.00 0.48 H new ATOM 0 HD11 ILE A 76 -1.392 -2.964 6.003 1.00 0.59 H new ATOM 0 HD12 ILE A 76 -2.199 -3.933 7.259 1.00 0.59 H new ATOM 0 HD13 ILE A 76 -1.265 -4.739 5.975 1.00 0.59 H new ATOM 1248 N ARG A 77 -5.302 -3.822 2.755 1.00 0.42 N ATOM 1249 CA ARG A 77 -5.051 -3.556 1.359 1.00 0.39 C ATOM 1250 C ARG A 77 -3.604 -3.152 1.158 1.00 0.37 C ATOM 1251 O ARG A 77 -3.244 -1.977 1.230 1.00 0.53 O ATOM 1252 CB ARG A 77 -5.994 -2.489 0.825 1.00 0.55 C ATOM 1253 CG ARG A 77 -7.452 -2.801 1.095 1.00 0.74 C ATOM 1254 CD ARG A 77 -7.801 -4.196 0.605 1.00 0.79 C ATOM 1255 NE ARG A 77 -9.239 -4.451 0.608 1.00 1.24 N ATOM 1256 CZ ARG A 77 -9.774 -5.665 0.701 1.00 1.51 C ATOM 1257 NH1 ARG A 77 -9.000 -6.730 0.864 1.00 1.94 N ATOM 1258 NH2 ARG A 77 -11.088 -5.816 0.628 1.00 1.93 N ATOM 0 H ARG A 77 -5.697 -3.039 3.276 1.00 0.42 H new ATOM 0 HA ARG A 77 -5.238 -4.470 0.795 1.00 0.39 H new ATOM 0 HB2 ARG A 77 -5.743 -1.530 1.278 1.00 0.55 H new ATOM 0 HB3 ARG A 77 -5.843 -2.383 -0.249 1.00 0.55 H new ATOM 0 HG2 ARG A 77 -7.654 -2.724 2.163 1.00 0.74 H new ATOM 0 HG3 ARG A 77 -8.085 -2.066 0.597 1.00 0.74 H new ATOM 0 HD2 ARG A 77 -7.415 -4.329 -0.406 1.00 0.79 H new ATOM 0 HD3 ARG A 77 -7.304 -4.933 1.236 1.00 0.79 H new ATOM 0 HE ARG A 77 -9.869 -3.652 0.535 1.00 1.24 H new ATOM 0 HH11 ARG A 77 -7.987 -6.621 0.919 1.00 1.94 H new ATOM 0 HH12 ARG A 77 -9.418 -7.658 0.935 1.00 1.94 H new ATOM 0 HH21 ARG A 77 -11.689 -5.002 0.501 1.00 1.93 H new ATOM 0 HH22 ARG A 77 -11.499 -6.747 0.699 1.00 1.93 H new ATOM 1272 N VAL A 78 -2.781 -4.150 0.934 1.00 0.33 N ATOM 1273 CA VAL A 78 -1.365 -3.945 0.714 1.00 0.38 C ATOM 1274 C VAL A 78 -1.097 -3.716 -0.762 1.00 0.38 C ATOM 1275 O VAL A 78 -1.602 -4.439 -1.604 1.00 0.53 O ATOM 1276 CB VAL A 78 -0.539 -5.148 1.219 1.00 0.43 C ATOM 1277 CG1 VAL A 78 -0.473 -5.142 2.739 1.00 0.95 C ATOM 1278 CG2 VAL A 78 -1.132 -6.460 0.721 1.00 0.88 C ATOM 0 H VAL A 78 -3.072 -5.127 0.899 1.00 0.33 H new ATOM 0 HA VAL A 78 -1.060 -3.064 1.279 1.00 0.38 H new ATOM 0 HB VAL A 78 0.472 -5.058 0.823 1.00 0.43 H new ATOM 0 HG11 VAL A 78 0.112 -5.996 3.081 1.00 0.95 H new ATOM 0 HG12 VAL A 78 -0.002 -4.220 3.079 1.00 0.95 H new ATOM 0 HG13 VAL A 78 -1.482 -5.207 3.147 1.00 0.95 H new ATOM 0 HG21 VAL A 78 -0.533 -7.293 1.089 1.00 0.88 H new ATOM 0 HG22 VAL A 78 -2.154 -6.559 1.086 1.00 0.88 H new ATOM 0 HG23 VAL A 78 -1.133 -6.468 -0.369 1.00 0.88 H new ATOM 1288 N ILE A 79 -0.324 -2.696 -1.066 1.00 0.28 N ATOM 1289 CA ILE A 79 -0.059 -2.309 -2.440 1.00 0.29 C ATOM 1290 C ILE A 79 1.446 -2.286 -2.700 1.00 0.28 C ATOM 1291 O ILE A 79 2.232 -1.825 -1.866 1.00 0.27 O ATOM 1292 CB ILE A 79 -0.665 -0.922 -2.746 1.00 0.35 C ATOM 1293 CG1 ILE A 79 -2.180 -0.933 -2.496 1.00 0.55 C ATOM 1294 CG2 ILE A 79 -0.361 -0.514 -4.182 1.00 0.45 C ATOM 1295 CD1 ILE A 79 -2.979 -1.689 -3.536 1.00 0.59 C ATOM 0 H ILE A 79 0.139 -2.111 -0.371 1.00 0.28 H new ATOM 0 HA ILE A 79 -0.525 -3.044 -3.097 1.00 0.29 H new ATOM 0 HB ILE A 79 -0.212 -0.190 -2.078 1.00 0.35 H new ATOM 0 HG12 ILE A 79 -2.371 -1.373 -1.517 1.00 0.55 H new ATOM 0 HG13 ILE A 79 -2.537 0.096 -2.458 1.00 0.55 H new ATOM 0 HG21 ILE A 79 -0.795 0.466 -4.382 1.00 0.45 H new ATOM 0 HG22 ILE A 79 0.718 -0.469 -4.327 1.00 0.45 H new ATOM 0 HG23 ILE A 79 -0.789 -1.246 -4.867 1.00 0.45 H new ATOM 0 HD11 ILE A 79 -4.038 -1.646 -3.283 1.00 0.59 H new ATOM 0 HD12 ILE A 79 -2.822 -1.237 -4.515 1.00 0.59 H new ATOM 0 HD13 ILE A 79 -2.653 -2.729 -3.560 1.00 0.59 H new ATOM 1307 N ILE A 80 1.840 -2.776 -3.866 1.00 0.31 N ATOM 1308 CA ILE A 80 3.253 -2.935 -4.163 1.00 0.32 C ATOM 1309 C ILE A 80 3.767 -1.801 -5.039 1.00 0.37 C ATOM 1310 O ILE A 80 3.257 -1.555 -6.129 1.00 0.46 O ATOM 1311 CB ILE A 80 3.559 -4.306 -4.818 1.00 0.37 C ATOM 1312 CG1 ILE A 80 4.908 -4.282 -5.529 1.00 0.40 C ATOM 1313 CG2 ILE A 80 2.464 -4.714 -5.786 1.00 0.47 C ATOM 1314 CD1 ILE A 80 5.362 -5.644 -5.998 1.00 0.45 C ATOM 0 H ILE A 80 1.209 -3.067 -4.613 1.00 0.31 H new ATOM 0 HA ILE A 80 3.779 -2.899 -3.209 1.00 0.32 H new ATOM 0 HB ILE A 80 3.599 -5.046 -4.019 1.00 0.37 H new ATOM 0 HG12 ILE A 80 4.847 -3.612 -6.387 1.00 0.40 H new ATOM 0 HG13 ILE A 80 5.659 -3.869 -4.855 1.00 0.40 H new ATOM 0 HG21 ILE A 80 2.710 -5.680 -6.228 1.00 0.47 H new ATOM 0 HG22 ILE A 80 1.516 -4.790 -5.253 1.00 0.47 H new ATOM 0 HG23 ILE A 80 2.378 -3.966 -6.574 1.00 0.47 H new ATOM 0 HD11 ILE A 80 6.328 -5.554 -6.495 1.00 0.45 H new ATOM 0 HD12 ILE A 80 5.455 -6.311 -5.141 1.00 0.45 H new ATOM 0 HD13 ILE A 80 4.631 -6.051 -6.697 1.00 0.45 H new ATOM 1326 N MET A 81 4.768 -1.097 -4.541 1.00 0.35 N ATOM 1327 CA MET A 81 5.418 -0.058 -5.325 1.00 0.43 C ATOM 1328 C MET A 81 6.853 -0.464 -5.597 1.00 0.45 C ATOM 1329 O MET A 81 7.670 0.321 -6.070 1.00 0.57 O ATOM 1330 CB MET A 81 5.348 1.295 -4.610 1.00 0.48 C ATOM 1331 CG MET A 81 5.824 1.244 -3.172 1.00 0.47 C ATOM 1332 SD MET A 81 5.566 2.796 -2.290 1.00 0.99 S ATOM 1333 CE MET A 81 6.730 3.867 -3.129 1.00 1.36 C ATOM 0 H MET A 81 5.148 -1.223 -3.603 1.00 0.35 H new ATOM 0 HA MET A 81 4.896 0.056 -6.275 1.00 0.43 H new ATOM 0 HB2 MET A 81 5.951 2.019 -5.159 1.00 0.48 H new ATOM 0 HB3 MET A 81 4.320 1.656 -4.631 1.00 0.48 H new ATOM 0 HG2 MET A 81 5.300 0.444 -2.650 1.00 0.47 H new ATOM 0 HG3 MET A 81 6.885 0.994 -3.155 1.00 0.47 H new ATOM 0 HE1 MET A 81 6.830 4.801 -2.575 1.00 1.36 H new ATOM 0 HE2 MET A 81 7.701 3.374 -3.188 1.00 1.36 H new ATOM 0 HE3 MET A 81 6.369 4.079 -4.135 1.00 1.36 H new ATOM 1343 N THR A 82 7.129 -1.719 -5.295 1.00 0.39 N ATOM 1344 CA THR A 82 8.420 -2.309 -5.549 1.00 0.42 C ATOM 1345 C THR A 82 8.341 -3.179 -6.803 1.00 0.48 C ATOM 1346 O THR A 82 7.435 -2.996 -7.615 1.00 0.52 O ATOM 1347 CB THR A 82 8.888 -3.133 -4.338 1.00 0.40 C ATOM 1348 OG1 THR A 82 10.271 -3.448 -4.482 1.00 0.43 O ATOM 1349 CG2 THR A 82 8.075 -4.411 -4.157 1.00 0.44 C ATOM 0 H THR A 82 6.458 -2.356 -4.865 1.00 0.39 H new ATOM 0 HA THR A 82 9.151 -1.517 -5.712 1.00 0.42 H new ATOM 0 HB THR A 82 8.734 -2.527 -3.445 1.00 0.40 H new ATOM 0 HG1 THR A 82 10.808 -2.645 -4.318 1.00 0.43 H new ATOM 0 HG21 THR A 82 8.444 -4.957 -3.289 1.00 0.44 H new ATOM 0 HG22 THR A 82 7.026 -4.157 -4.006 1.00 0.44 H new ATOM 0 HG23 THR A 82 8.173 -5.034 -5.046 1.00 0.44 H new ATOM 1357 N ALA A 83 9.281 -4.111 -6.955 1.00 0.54 N ATOM 1358 CA ALA A 83 9.340 -4.986 -8.124 1.00 0.64 C ATOM 1359 C ALA A 83 7.988 -5.627 -8.423 1.00 0.69 C ATOM 1360 O ALA A 83 7.621 -6.640 -7.840 1.00 0.74 O ATOM 1361 CB ALA A 83 10.394 -6.056 -7.918 1.00 0.77 C ATOM 0 H ALA A 83 10.021 -4.280 -6.273 1.00 0.54 H new ATOM 0 HA ALA A 83 9.609 -4.373 -8.984 1.00 0.64 H new ATOM 0 HB1 ALA A 83 10.431 -6.704 -8.794 1.00 0.77 H new ATOM 0 HB2 ALA A 83 11.367 -5.586 -7.773 1.00 0.77 H new ATOM 0 HB3 ALA A 83 10.143 -6.649 -7.039 1.00 0.77 H new ATOM 1367 N TYR A 84 7.259 -5.021 -9.347 1.00 0.75 N ATOM 1368 CA TYR A 84 5.906 -5.449 -9.680 1.00 0.93 C ATOM 1369 C TYR A 84 5.905 -6.733 -10.501 1.00 1.04 C ATOM 1370 O TYR A 84 4.849 -7.252 -10.858 1.00 1.38 O ATOM 1371 CB TYR A 84 5.187 -4.316 -10.420 1.00 1.14 C ATOM 1372 CG TYR A 84 5.655 -4.108 -11.847 1.00 1.02 C ATOM 1373 CD1 TYR A 84 6.951 -3.692 -12.117 1.00 1.17 C ATOM 1374 CD2 TYR A 84 4.796 -4.314 -12.920 1.00 1.23 C ATOM 1375 CE1 TYR A 84 7.380 -3.488 -13.414 1.00 1.68 C ATOM 1376 CE2 TYR A 84 5.217 -4.116 -14.219 1.00 1.55 C ATOM 1377 CZ TYR A 84 6.517 -3.751 -14.466 1.00 1.84 C ATOM 1378 OH TYR A 84 6.929 -3.490 -15.756 1.00 2.42 O ATOM 0 H TYR A 84 7.586 -4.220 -9.887 1.00 0.75 H new ATOM 0 HA TYR A 84 5.372 -5.671 -8.756 1.00 0.93 H new ATOM 0 HB2 TYR A 84 4.117 -4.524 -10.427 1.00 1.14 H new ATOM 0 HB3 TYR A 84 5.327 -3.388 -9.865 1.00 1.14 H new ATOM 0 HD1 TYR A 84 7.636 -3.525 -11.299 1.00 1.17 H new ATOM 0 HD2 TYR A 84 3.782 -4.635 -12.734 1.00 1.23 H new ATOM 0 HE1 TYR A 84 8.379 -3.127 -13.607 1.00 1.68 H new ATOM 0 HE2 TYR A 84 4.526 -4.248 -15.039 1.00 1.55 H new ATOM 0 HH TYR A 84 6.214 -3.728 -16.382 1.00 2.42 H new ATOM 1388 N GLY A 85 7.089 -7.242 -10.794 1.00 1.18 N ATOM 1389 CA GLY A 85 7.194 -8.554 -11.384 1.00 1.31 C ATOM 1390 C GLY A 85 7.172 -9.624 -10.317 1.00 1.26 C ATOM 1391 O GLY A 85 7.170 -10.816 -10.613 1.00 1.37 O ATOM 0 H GLY A 85 7.978 -6.769 -10.633 1.00 1.18 H new ATOM 0 HA2 GLY A 85 6.371 -8.712 -12.081 1.00 1.31 H new ATOM 0 HA3 GLY A 85 8.117 -8.626 -11.959 1.00 1.31 H new ATOM 1395 N GLU A 86 7.104 -9.185 -9.067 1.00 1.14 N ATOM 1396 CA GLU A 86 7.147 -10.083 -7.930 1.00 1.12 C ATOM 1397 C GLU A 86 5.755 -10.593 -7.617 1.00 1.14 C ATOM 1398 O GLU A 86 5.551 -11.337 -6.674 1.00 1.13 O ATOM 1399 CB GLU A 86 7.763 -9.392 -6.717 1.00 1.04 C ATOM 1400 CG GLU A 86 9.125 -9.951 -6.327 1.00 1.04 C ATOM 1401 CD GLU A 86 10.082 -10.069 -7.503 1.00 1.60 C ATOM 1402 OE1 GLU A 86 10.016 -11.083 -8.229 1.00 2.16 O ATOM 1403 OE2 GLU A 86 10.908 -9.154 -7.707 1.00 1.64 O ATOM 0 H GLU A 86 7.018 -8.200 -8.818 1.00 1.14 H new ATOM 0 HA GLU A 86 7.778 -10.935 -8.182 1.00 1.12 H new ATOM 0 HB2 GLU A 86 7.863 -8.327 -6.927 1.00 1.04 H new ATOM 0 HB3 GLU A 86 7.084 -9.488 -5.870 1.00 1.04 H new ATOM 0 HG2 GLU A 86 9.570 -9.309 -5.567 1.00 1.04 H new ATOM 0 HG3 GLU A 86 8.992 -10.934 -5.875 1.00 1.04 H new ATOM 1410 N LEU A 87 4.797 -10.204 -8.441 1.00 1.19 N ATOM 1411 CA LEU A 87 3.490 -10.872 -8.444 1.00 1.27 C ATOM 1412 C LEU A 87 3.689 -12.295 -8.951 1.00 1.27 C ATOM 1413 O LEU A 87 2.767 -13.095 -8.998 1.00 1.30 O ATOM 1414 CB LEU A 87 2.469 -10.124 -9.318 1.00 1.38 C ATOM 1415 CG LEU A 87 2.456 -10.483 -10.814 1.00 1.41 C ATOM 1416 CD1 LEU A 87 1.291 -9.794 -11.505 1.00 1.84 C ATOM 1417 CD2 LEU A 87 3.761 -10.101 -11.495 1.00 1.96 C ATOM 0 H LEU A 87 4.889 -9.440 -9.111 1.00 1.19 H new ATOM 0 HA LEU A 87 3.087 -10.880 -7.431 1.00 1.27 H new ATOM 0 HB2 LEU A 87 1.474 -10.308 -8.914 1.00 1.38 H new ATOM 0 HB3 LEU A 87 2.658 -9.055 -9.225 1.00 1.38 H new ATOM 0 HG LEU A 87 2.341 -11.564 -10.895 1.00 1.41 H new ATOM 0 HD11 LEU A 87 1.290 -10.054 -12.563 1.00 1.84 H new ATOM 0 HD12 LEU A 87 0.355 -10.119 -11.051 1.00 1.84 H new ATOM 0 HD13 LEU A 87 1.391 -8.714 -11.397 1.00 1.84 H new ATOM 0 HD21 LEU A 87 3.713 -10.370 -12.550 1.00 1.96 H new ATOM 0 HD22 LEU A 87 3.919 -9.027 -11.402 1.00 1.96 H new ATOM 0 HD23 LEU A 87 4.587 -10.632 -11.022 1.00 1.96 H new ATOM 1429 N ASP A 88 4.917 -12.567 -9.366 1.00 1.29 N ATOM 1430 CA ASP A 88 5.358 -13.914 -9.672 1.00 1.35 C ATOM 1431 C ASP A 88 5.957 -14.565 -8.421 1.00 1.29 C ATOM 1432 O ASP A 88 5.385 -15.497 -7.861 1.00 1.39 O ATOM 1433 CB ASP A 88 6.393 -13.866 -10.796 1.00 1.38 C ATOM 1434 CG ASP A 88 6.966 -15.224 -11.143 1.00 1.49 C ATOM 1435 OD1 ASP A 88 6.279 -16.011 -11.827 1.00 1.59 O ATOM 1436 OD2 ASP A 88 8.115 -15.504 -10.756 1.00 1.54 O ATOM 0 H ASP A 88 5.636 -11.856 -9.500 1.00 1.29 H new ATOM 0 HA ASP A 88 4.506 -14.511 -9.998 1.00 1.35 H new ATOM 0 HB2 ASP A 88 5.933 -13.436 -11.686 1.00 1.38 H new ATOM 0 HB3 ASP A 88 7.205 -13.201 -10.504 1.00 1.38 H new ATOM 1441 N MET A 89 7.089 -14.028 -7.970 1.00 1.17 N ATOM 1442 CA MET A 89 7.820 -14.571 -6.820 1.00 1.16 C ATOM 1443 C MET A 89 7.070 -14.386 -5.502 1.00 1.14 C ATOM 1444 O MET A 89 6.820 -15.347 -4.773 1.00 1.25 O ATOM 1445 CB MET A 89 9.196 -13.894 -6.725 1.00 1.11 C ATOM 1446 CG MET A 89 9.832 -13.939 -5.336 1.00 1.13 C ATOM 1447 SD MET A 89 11.449 -13.145 -5.277 1.00 1.46 S ATOM 1448 CE MET A 89 11.813 -13.266 -3.526 1.00 2.17 C ATOM 0 H MET A 89 7.527 -13.207 -8.388 1.00 1.17 H new ATOM 0 HA MET A 89 7.928 -15.644 -6.982 1.00 1.16 H new ATOM 0 HB2 MET A 89 9.871 -14.371 -7.435 1.00 1.11 H new ATOM 0 HB3 MET A 89 9.096 -12.853 -7.031 1.00 1.11 H new ATOM 0 HG2 MET A 89 9.168 -13.452 -4.622 1.00 1.13 H new ATOM 0 HG3 MET A 89 9.932 -14.978 -5.021 1.00 1.13 H new ATOM 0 HE1 MET A 89 12.786 -12.817 -3.325 1.00 2.17 H new ATOM 0 HE2 MET A 89 11.046 -12.740 -2.958 1.00 2.17 H new ATOM 0 HE3 MET A 89 11.829 -14.315 -3.229 1.00 2.17 H new ATOM 1458 N ALA A 90 6.694 -13.152 -5.216 1.00 1.06 N ATOM 1459 CA ALA A 90 6.174 -12.784 -3.909 1.00 1.05 C ATOM 1460 C ALA A 90 4.795 -13.364 -3.651 1.00 1.12 C ATOM 1461 O ALA A 90 4.471 -13.715 -2.514 1.00 1.17 O ATOM 1462 CB ALA A 90 6.131 -11.277 -3.774 1.00 0.99 C ATOM 0 H ALA A 90 6.740 -12.379 -5.880 1.00 1.06 H new ATOM 0 HA ALA A 90 6.849 -13.204 -3.163 1.00 1.05 H new ATOM 0 HB1 ALA A 90 5.740 -11.011 -2.792 1.00 0.99 H new ATOM 0 HB2 ALA A 90 7.137 -10.873 -3.886 1.00 0.99 H new ATOM 0 HB3 ALA A 90 5.485 -10.861 -4.547 1.00 0.99 H new ATOM 1468 N GLN A 91 3.975 -13.461 -4.691 1.00 1.19 N ATOM 1469 CA GLN A 91 2.626 -13.972 -4.521 1.00 1.31 C ATOM 1470 C GLN A 91 2.685 -15.445 -4.097 1.00 1.46 C ATOM 1471 O GLN A 91 1.951 -15.878 -3.210 1.00 1.51 O ATOM 1472 CB GLN A 91 1.787 -13.784 -5.801 1.00 1.40 C ATOM 1473 CG GLN A 91 1.873 -14.938 -6.793 1.00 1.68 C ATOM 1474 CD GLN A 91 0.726 -14.948 -7.790 1.00 1.84 C ATOM 1475 OE1 GLN A 91 -0.384 -14.511 -7.486 1.00 2.24 O ATOM 1476 NE2 GLN A 91 0.984 -15.451 -8.986 1.00 2.42 N ATOM 0 H GLN A 91 4.218 -13.196 -5.646 1.00 1.19 H new ATOM 0 HA GLN A 91 2.130 -13.402 -3.735 1.00 1.31 H new ATOM 0 HB2 GLN A 91 0.744 -13.643 -5.518 1.00 1.40 H new ATOM 0 HB3 GLN A 91 2.109 -12.869 -6.299 1.00 1.40 H new ATOM 0 HG2 GLN A 91 2.817 -14.876 -7.334 1.00 1.68 H new ATOM 0 HG3 GLN A 91 1.880 -15.881 -6.246 1.00 1.68 H new ATOM 0 HE21 GLN A 91 1.917 -15.804 -9.201 1.00 2.42 H new ATOM 0 HE22 GLN A 91 0.250 -15.486 -9.694 1.00 2.42 H new ATOM 1485 N GLU A 92 3.597 -16.197 -4.715 1.00 1.57 N ATOM 1486 CA GLU A 92 3.787 -17.603 -4.388 1.00 1.80 C ATOM 1487 C GLU A 92 4.628 -17.768 -3.126 1.00 1.83 C ATOM 1488 O GLU A 92 4.602 -18.824 -2.492 1.00 2.04 O ATOM 1489 CB GLU A 92 4.434 -18.333 -5.562 1.00 1.91 C ATOM 1490 CG GLU A 92 3.644 -18.194 -6.847 1.00 1.96 C ATOM 1491 CD GLU A 92 4.281 -18.917 -8.008 1.00 2.13 C ATOM 1492 OE1 GLU A 92 5.156 -18.328 -8.669 1.00 2.12 O ATOM 1493 OE2 GLU A 92 3.901 -20.074 -8.279 1.00 2.44 O ATOM 0 H GLU A 92 4.216 -15.850 -5.447 1.00 1.57 H new ATOM 0 HA GLU A 92 2.808 -18.042 -4.195 1.00 1.80 H new ATOM 0 HB2 GLU A 92 5.440 -17.944 -5.716 1.00 1.91 H new ATOM 0 HB3 GLU A 92 4.535 -19.390 -5.316 1.00 1.91 H new ATOM 0 HG2 GLU A 92 2.637 -18.581 -6.692 1.00 1.96 H new ATOM 0 HG3 GLU A 92 3.544 -17.137 -7.094 1.00 1.96 H new ATOM 1500 N SER A 93 5.389 -16.728 -2.778 1.00 1.66 N ATOM 1501 CA SER A 93 6.183 -16.727 -1.551 1.00 1.77 C ATOM 1502 C SER A 93 5.286 -16.992 -0.345 1.00 1.87 C ATOM 1503 O SER A 93 5.661 -17.724 0.573 1.00 2.13 O ATOM 1504 CB SER A 93 6.919 -15.391 -1.391 1.00 1.65 C ATOM 1505 OG SER A 93 7.692 -15.359 -0.201 1.00 1.98 O ATOM 0 H SER A 93 5.471 -15.875 -3.331 1.00 1.66 H new ATOM 0 HA SER A 93 6.926 -17.522 -1.614 1.00 1.77 H new ATOM 0 HB2 SER A 93 7.568 -15.227 -2.251 1.00 1.65 H new ATOM 0 HB3 SER A 93 6.196 -14.576 -1.378 1.00 1.65 H new ATOM 0 HG SER A 93 8.270 -14.568 -0.208 1.00 1.98 H new ATOM 1511 N LYS A 94 4.097 -16.405 -0.357 1.00 1.73 N ATOM 1512 CA LYS A 94 3.099 -16.696 0.661 1.00 1.84 C ATOM 1513 C LYS A 94 1.715 -16.816 0.051 1.00 1.75 C ATOM 1514 O LYS A 94 1.283 -17.913 -0.307 1.00 2.05 O ATOM 1515 CB LYS A 94 3.100 -15.660 1.786 1.00 1.74 C ATOM 1516 CG LYS A 94 3.959 -16.072 2.968 1.00 2.03 C ATOM 1517 CD LYS A 94 3.718 -15.202 4.174 1.00 2.19 C ATOM 1518 CE LYS A 94 4.575 -15.654 5.339 1.00 2.42 C ATOM 1519 NZ LYS A 94 4.213 -17.014 5.822 1.00 2.66 N ATOM 0 H LYS A 94 3.801 -15.726 -1.059 1.00 1.73 H new ATOM 0 HA LYS A 94 3.370 -17.656 1.101 1.00 1.84 H new ATOM 0 HB2 LYS A 94 3.460 -14.708 1.396 1.00 1.74 H new ATOM 0 HB3 LYS A 94 2.077 -15.499 2.126 1.00 1.74 H new ATOM 0 HG2 LYS A 94 3.750 -17.111 3.223 1.00 2.03 H new ATOM 0 HG3 LYS A 94 5.011 -16.019 2.687 1.00 2.03 H new ATOM 0 HD2 LYS A 94 3.944 -14.164 3.931 1.00 2.19 H new ATOM 0 HD3 LYS A 94 2.665 -15.242 4.453 1.00 2.19 H new ATOM 0 HE2 LYS A 94 5.623 -15.646 5.039 1.00 2.42 H new ATOM 0 HE3 LYS A 94 4.473 -14.942 6.158 1.00 2.42 H new ATOM 0 HZ1 LYS A 94 4.652 -17.181 6.750 1.00 2.66 H new ATOM 0 HZ2 LYS A 94 3.179 -17.087 5.910 1.00 2.66 H new ATOM 0 HZ3 LYS A 94 4.554 -17.725 5.144 1.00 2.66 H new ATOM 1533 N GLU A 95 1.022 -15.697 -0.077 1.00 1.51 N ATOM 1534 CA GLU A 95 -0.336 -15.737 -0.595 1.00 1.57 C ATOM 1535 C GLU A 95 -0.680 -14.530 -1.461 1.00 1.40 C ATOM 1536 O GLU A 95 -0.899 -14.670 -2.659 1.00 1.80 O ATOM 1537 CB GLU A 95 -1.330 -15.850 0.558 1.00 1.57 C ATOM 1538 CG GLU A 95 -2.775 -15.982 0.111 1.00 1.70 C ATOM 1539 CD GLU A 95 -3.698 -16.319 1.255 1.00 2.39 C ATOM 1540 OE1 GLU A 95 -4.118 -15.391 1.973 1.00 3.16 O ATOM 1541 OE2 GLU A 95 -4.030 -17.511 1.431 1.00 2.68 O ATOM 0 H GLU A 95 1.367 -14.768 0.165 1.00 1.51 H new ATOM 0 HA GLU A 95 -0.403 -16.616 -1.236 1.00 1.57 H new ATOM 0 HB2 GLU A 95 -1.068 -16.714 1.168 1.00 1.57 H new ATOM 0 HB3 GLU A 95 -1.235 -14.970 1.195 1.00 1.57 H new ATOM 0 HG2 GLU A 95 -3.097 -15.049 -0.350 1.00 1.70 H new ATOM 0 HG3 GLU A 95 -2.848 -16.757 -0.652 1.00 1.70 H new ATOM 1548 N LEU A 96 -0.731 -13.348 -0.856 1.00 1.13 N ATOM 1549 CA LEU A 96 -1.300 -12.190 -1.525 1.00 1.44 C ATOM 1550 C LEU A 96 -0.285 -11.527 -2.438 1.00 1.40 C ATOM 1551 O LEU A 96 -0.616 -11.099 -3.540 1.00 1.87 O ATOM 1552 CB LEU A 96 -1.786 -11.204 -0.471 1.00 1.74 C ATOM 1553 CG LEU A 96 -2.890 -10.250 -0.930 1.00 2.31 C ATOM 1554 CD1 LEU A 96 -4.104 -11.033 -1.414 1.00 2.48 C ATOM 1555 CD2 LEU A 96 -3.282 -9.309 0.198 1.00 3.10 C ATOM 0 H LEU A 96 -0.388 -13.170 0.088 1.00 1.13 H new ATOM 0 HA LEU A 96 -2.135 -12.514 -2.146 1.00 1.44 H new ATOM 0 HB2 LEU A 96 -2.149 -11.766 0.389 1.00 1.74 H new ATOM 0 HB3 LEU A 96 -0.936 -10.613 -0.130 1.00 1.74 H new ATOM 0 HG LEU A 96 -2.508 -9.656 -1.760 1.00 2.31 H new ATOM 0 HD11 LEU A 96 -4.880 -10.339 -1.737 1.00 2.48 H new ATOM 0 HD12 LEU A 96 -3.816 -11.670 -2.250 1.00 2.48 H new ATOM 0 HD13 LEU A 96 -4.486 -11.651 -0.602 1.00 2.48 H new ATOM 0 HD21 LEU A 96 -4.068 -8.637 -0.145 1.00 3.10 H new ATOM 0 HD22 LEU A 96 -3.645 -9.889 1.046 1.00 3.10 H new ATOM 0 HD23 LEU A 96 -2.414 -8.725 0.503 1.00 3.10 H new ATOM 1567 N GLY A 97 0.952 -11.456 -1.965 1.00 1.08 N ATOM 1568 CA GLY A 97 2.022 -10.841 -2.739 1.00 1.10 C ATOM 1569 C GLY A 97 1.744 -9.389 -3.111 1.00 1.06 C ATOM 1570 O GLY A 97 2.254 -8.904 -4.120 1.00 1.72 O ATOM 0 H GLY A 97 1.239 -11.815 -1.054 1.00 1.08 H new ATOM 0 HA2 GLY A 97 2.949 -10.891 -2.167 1.00 1.10 H new ATOM 0 HA3 GLY A 97 2.179 -11.418 -3.650 1.00 1.10 H new ATOM 1574 N ALA A 98 0.937 -8.712 -2.282 1.00 0.73 N ATOM 1575 CA ALA A 98 0.557 -7.309 -2.486 1.00 0.65 C ATOM 1576 C ALA A 98 -0.457 -7.158 -3.624 1.00 0.67 C ATOM 1577 O ALA A 98 -0.410 -7.867 -4.628 1.00 0.82 O ATOM 1578 CB ALA A 98 1.778 -6.429 -2.724 1.00 0.85 C ATOM 0 H ALA A 98 0.527 -9.127 -1.445 1.00 0.73 H new ATOM 0 HA ALA A 98 0.076 -6.971 -1.568 1.00 0.65 H new ATOM 0 HB1 ALA A 98 1.460 -5.397 -2.871 1.00 0.85 H new ATOM 0 HB2 ALA A 98 2.441 -6.485 -1.860 1.00 0.85 H new ATOM 0 HB3 ALA A 98 2.309 -6.775 -3.611 1.00 0.85 H new ATOM 1584 N LEU A 99 -1.372 -6.214 -3.456 1.00 0.60 N ATOM 1585 CA LEU A 99 -2.469 -6.018 -4.394 1.00 0.66 C ATOM 1586 C LEU A 99 -2.049 -5.145 -5.574 1.00 0.69 C ATOM 1587 O LEU A 99 -2.594 -4.060 -5.787 1.00 1.35 O ATOM 1588 CB LEU A 99 -3.673 -5.400 -3.681 1.00 0.68 C ATOM 1589 CG LEU A 99 -4.231 -6.228 -2.522 1.00 0.86 C ATOM 1590 CD1 LEU A 99 -5.313 -5.455 -1.793 1.00 1.34 C ATOM 1591 CD2 LEU A 99 -4.778 -7.553 -3.032 1.00 1.05 C ATOM 0 H LEU A 99 -1.376 -5.565 -2.669 1.00 0.60 H new ATOM 0 HA LEU A 99 -2.749 -6.996 -4.786 1.00 0.66 H new ATOM 0 HB2 LEU A 99 -3.388 -4.418 -3.303 1.00 0.68 H new ATOM 0 HB3 LEU A 99 -4.467 -5.242 -4.411 1.00 0.68 H new ATOM 0 HG LEU A 99 -3.421 -6.434 -1.822 1.00 0.86 H new ATOM 0 HD11 LEU A 99 -5.700 -6.058 -0.971 1.00 1.34 H new ATOM 0 HD12 LEU A 99 -4.895 -4.529 -1.398 1.00 1.34 H new ATOM 0 HD13 LEU A 99 -6.123 -5.222 -2.485 1.00 1.34 H new ATOM 0 HD21 LEU A 99 -5.171 -8.130 -2.195 1.00 1.05 H new ATOM 0 HD22 LEU A 99 -5.576 -7.365 -3.750 1.00 1.05 H new ATOM 0 HD23 LEU A 99 -3.979 -8.114 -3.516 1.00 1.05 H new ATOM 1603 N THR A 100 -1.069 -5.640 -6.323 1.00 0.95 N ATOM 1604 CA THR A 100 -0.597 -5.025 -7.568 1.00 1.06 C ATOM 1605 C THR A 100 -0.135 -3.568 -7.402 1.00 0.67 C ATOM 1606 O THR A 100 -0.028 -3.060 -6.278 1.00 0.60 O ATOM 1607 CB THR A 100 -1.659 -5.109 -8.697 1.00 1.56 C ATOM 1608 OG1 THR A 100 -2.872 -4.441 -8.324 1.00 2.07 O ATOM 1609 CG2 THR A 100 -1.966 -6.560 -9.044 1.00 2.16 C ATOM 0 H THR A 100 -0.569 -6.495 -6.081 1.00 0.95 H new ATOM 0 HA THR A 100 0.276 -5.612 -7.852 1.00 1.06 H new ATOM 0 HB THR A 100 -1.241 -4.611 -9.572 1.00 1.56 H new ATOM 0 HG1 THR A 100 -2.722 -3.924 -7.505 1.00 2.07 H new ATOM 0 HG21 THR A 100 -2.713 -6.594 -9.837 1.00 2.16 H new ATOM 0 HG22 THR A 100 -1.055 -7.054 -9.382 1.00 2.16 H new ATOM 0 HG23 THR A 100 -2.350 -7.072 -8.162 1.00 2.16 H new ATOM 1617 N HIS A 101 0.154 -2.957 -8.568 1.00 0.68 N ATOM 1618 CA HIS A 101 0.656 -1.583 -8.742 1.00 0.87 C ATOM 1619 C HIS A 101 1.999 -1.652 -9.467 1.00 0.71 C ATOM 1620 O HIS A 101 2.319 -2.679 -10.061 1.00 1.08 O ATOM 1621 CB HIS A 101 0.769 -0.776 -7.445 1.00 1.65 C ATOM 1622 CG HIS A 101 0.613 0.697 -7.661 1.00 2.50 C ATOM 1623 ND1 HIS A 101 1.564 1.622 -7.288 1.00 3.21 N ATOM 1624 CD2 HIS A 101 -0.389 1.401 -8.239 1.00 3.16 C ATOM 1625 CE1 HIS A 101 1.152 2.832 -7.629 1.00 3.89 C ATOM 1626 NE2 HIS A 101 -0.030 2.726 -8.212 1.00 3.83 N ATOM 0 H HIS A 101 0.037 -3.436 -9.461 1.00 0.68 H new ATOM 0 HA HIS A 101 -0.081 -1.040 -9.333 1.00 0.87 H new ATOM 0 HB2 HIS A 101 0.009 -1.118 -6.743 1.00 1.65 H new ATOM 0 HB3 HIS A 101 1.738 -0.970 -6.985 1.00 1.65 H new ATOM 0 HD2 HIS A 101 -1.303 0.995 -8.647 1.00 3.16 H new ATOM 0 HE1 HIS A 101 1.691 3.752 -7.460 1.00 3.89 H new ATOM 0 HE2 HIS A 101 -0.583 3.500 -8.580 1.00 3.83 H new ATOM 1635 N PHE A 102 2.780 -0.578 -9.435 1.00 0.78 N ATOM 1636 CA PHE A 102 3.956 -0.480 -10.295 1.00 0.90 C ATOM 1637 C PHE A 102 5.218 -0.215 -9.489 1.00 0.85 C ATOM 1638 O PHE A 102 5.159 0.366 -8.408 1.00 0.97 O ATOM 1639 CB PHE A 102 3.761 0.628 -11.334 1.00 1.33 C ATOM 1640 CG PHE A 102 2.586 0.402 -12.240 1.00 1.91 C ATOM 1641 CD1 PHE A 102 2.670 -0.496 -13.293 1.00 2.47 C ATOM 1642 CD2 PHE A 102 1.396 1.083 -12.037 1.00 2.71 C ATOM 1643 CE1 PHE A 102 1.590 -0.709 -14.128 1.00 3.31 C ATOM 1644 CE2 PHE A 102 0.313 0.875 -12.869 1.00 3.59 C ATOM 1645 CZ PHE A 102 0.409 -0.023 -13.915 1.00 3.75 C ATOM 0 H PHE A 102 2.624 0.229 -8.831 1.00 0.78 H new ATOM 0 HA PHE A 102 4.074 -1.437 -10.803 1.00 0.90 H new ATOM 0 HB2 PHE A 102 3.634 1.580 -10.818 1.00 1.33 H new ATOM 0 HB3 PHE A 102 4.664 0.711 -11.938 1.00 1.33 H new ATOM 0 HD1 PHE A 102 3.590 -1.035 -13.463 1.00 2.47 H new ATOM 0 HD2 PHE A 102 1.315 1.784 -11.219 1.00 2.71 H new ATOM 0 HE1 PHE A 102 1.668 -1.410 -14.946 1.00 3.31 H new ATOM 0 HE2 PHE A 102 -0.608 1.414 -12.702 1.00 3.59 H new ATOM 0 HZ PHE A 102 -0.437 -0.189 -14.565 1.00 3.75 H new ATOM 1655 N ALA A 103 6.356 -0.620 -10.051 1.00 0.85 N ATOM 1656 CA ALA A 103 7.663 -0.428 -9.426 1.00 0.92 C ATOM 1657 C ALA A 103 8.217 0.952 -9.745 1.00 1.01 C ATOM 1658 O ALA A 103 9.430 1.139 -9.850 1.00 1.27 O ATOM 1659 CB ALA A 103 8.626 -1.492 -9.928 1.00 1.00 C ATOM 0 H ALA A 103 6.397 -1.091 -10.955 1.00 0.85 H new ATOM 0 HA ALA A 103 7.548 -0.513 -8.345 1.00 0.92 H new ATOM 0 HB1 ALA A 103 9.601 -1.349 -9.462 1.00 1.00 H new ATOM 0 HB2 ALA A 103 8.243 -2.480 -9.672 1.00 1.00 H new ATOM 0 HB3 ALA A 103 8.726 -1.411 -11.010 1.00 1.00 H new ATOM 1733 N ILE A 108 1.586 11.160 -7.688 1.00 1.00 N ATOM 1734 CA ILE A 108 0.699 10.620 -6.667 1.00 0.93 C ATOM 1735 C ILE A 108 -0.759 10.656 -7.099 1.00 0.89 C ATOM 1736 O ILE A 108 -1.630 10.101 -6.424 1.00 0.79 O ATOM 1737 CB ILE A 108 0.869 11.354 -5.318 1.00 1.00 C ATOM 1738 CG1 ILE A 108 1.201 12.843 -5.508 1.00 0.97 C ATOM 1739 CG2 ILE A 108 1.952 10.677 -4.504 1.00 1.25 C ATOM 1740 CD1 ILE A 108 0.111 13.650 -6.178 1.00 1.29 C ATOM 0 HA ILE A 108 0.986 9.577 -6.533 1.00 0.93 H new ATOM 0 HB ILE A 108 -0.081 11.300 -4.787 1.00 1.00 H new ATOM 0 HG12 ILE A 108 1.413 13.282 -4.533 1.00 0.97 H new ATOM 0 HG13 ILE A 108 2.113 12.926 -6.100 1.00 0.97 H new ATOM 0 HG21 ILE A 108 2.070 11.196 -3.553 1.00 1.25 H new ATOM 0 HG22 ILE A 108 1.673 9.640 -4.319 1.00 1.25 H new ATOM 0 HG23 ILE A 108 2.893 10.707 -5.054 1.00 1.25 H new ATOM 0 HD11 ILE A 108 0.431 14.688 -6.271 1.00 1.29 H new ATOM 0 HD12 ILE A 108 -0.087 13.242 -7.169 1.00 1.29 H new ATOM 0 HD13 ILE A 108 -0.798 13.603 -5.578 1.00 1.29 H new ATOM 1752 N ASP A 109 -1.021 11.308 -8.223 1.00 1.01 N ATOM 1753 CA ASP A 109 -2.358 11.339 -8.799 1.00 1.07 C ATOM 1754 C ASP A 109 -2.835 9.916 -9.038 1.00 1.02 C ATOM 1755 O ASP A 109 -3.964 9.555 -8.714 1.00 1.00 O ATOM 1756 CB ASP A 109 -2.339 12.097 -10.120 1.00 1.27 C ATOM 1757 CG ASP A 109 -3.683 12.699 -10.481 1.00 1.57 C ATOM 1758 OD1 ASP A 109 -4.720 12.220 -9.976 1.00 1.92 O ATOM 1759 OD2 ASP A 109 -3.702 13.678 -11.259 1.00 1.84 O ATOM 0 H ASP A 109 -0.322 11.825 -8.756 1.00 1.01 H new ATOM 0 HA ASP A 109 -3.034 11.844 -8.109 1.00 1.07 H new ATOM 0 HB2 ASP A 109 -1.595 12.892 -10.065 1.00 1.27 H new ATOM 0 HB3 ASP A 109 -2.025 11.421 -10.915 1.00 1.27 H new ATOM 1764 N GLU A 110 -1.938 9.111 -9.588 1.00 1.04 N ATOM 1765 CA GLU A 110 -2.186 7.690 -9.792 1.00 1.04 C ATOM 1766 C GLU A 110 -2.481 6.971 -8.479 1.00 0.93 C ATOM 1767 O GLU A 110 -3.240 6.004 -8.450 1.00 0.95 O ATOM 1768 CB GLU A 110 -0.981 7.046 -10.467 1.00 1.14 C ATOM 1769 CG GLU A 110 -0.952 7.229 -11.970 1.00 1.12 C ATOM 1770 CD GLU A 110 -2.159 6.608 -12.637 1.00 1.57 C ATOM 1771 OE1 GLU A 110 -2.329 5.376 -12.542 1.00 2.07 O ATOM 1772 OE2 GLU A 110 -2.942 7.354 -13.262 1.00 2.06 O ATOM 0 H GLU A 110 -1.020 9.423 -9.905 1.00 1.04 H new ATOM 0 HA GLU A 110 -3.065 7.597 -10.430 1.00 1.04 H new ATOM 0 HB2 GLU A 110 -0.070 7.467 -10.041 1.00 1.14 H new ATOM 0 HB3 GLU A 110 -0.976 5.980 -10.240 1.00 1.14 H new ATOM 0 HG2 GLU A 110 -0.914 8.293 -12.206 1.00 1.12 H new ATOM 0 HG3 GLU A 110 -0.044 6.781 -12.373 1.00 1.12 H new ATOM 1779 N ILE A 111 -1.893 7.449 -7.387 1.00 0.83 N ATOM 1780 CA ILE A 111 -2.063 6.806 -6.095 1.00 0.75 C ATOM 1781 C ILE A 111 -3.473 7.046 -5.571 1.00 0.70 C ATOM 1782 O ILE A 111 -4.176 6.101 -5.218 1.00 0.71 O ATOM 1783 CB ILE A 111 -1.012 7.293 -5.065 1.00 0.76 C ATOM 1784 CG1 ILE A 111 0.304 6.525 -5.231 1.00 1.24 C ATOM 1785 CG2 ILE A 111 -1.527 7.134 -3.638 1.00 0.75 C ATOM 1786 CD1 ILE A 111 0.881 6.576 -6.626 1.00 1.61 C ATOM 0 H ILE A 111 -1.297 8.277 -7.374 1.00 0.83 H new ATOM 0 HA ILE A 111 -1.910 5.736 -6.235 1.00 0.75 H new ATOM 0 HB ILE A 111 -0.831 8.351 -5.252 1.00 0.76 H new ATOM 0 HG12 ILE A 111 1.037 6.928 -4.532 1.00 1.24 H new ATOM 0 HG13 ILE A 111 0.140 5.483 -4.956 1.00 1.24 H new ATOM 0 HG21 ILE A 111 -0.769 7.483 -2.937 1.00 0.75 H new ATOM 0 HG22 ILE A 111 -2.437 7.721 -3.512 1.00 0.75 H new ATOM 0 HG23 ILE A 111 -1.744 6.083 -3.444 1.00 0.75 H new ATOM 0 HD11 ILE A 111 1.811 6.008 -6.656 1.00 1.61 H new ATOM 0 HD12 ILE A 111 0.169 6.145 -7.330 1.00 1.61 H new ATOM 0 HD13 ILE A 111 1.080 7.612 -6.900 1.00 1.61 H new ATOM 1798 N ARG A 112 -3.895 8.311 -5.560 1.00 0.72 N ATOM 1799 CA ARG A 112 -5.242 8.654 -5.114 1.00 0.75 C ATOM 1800 C ARG A 112 -6.270 8.006 -6.034 1.00 0.81 C ATOM 1801 O ARG A 112 -7.298 7.483 -5.580 1.00 0.85 O ATOM 1802 CB ARG A 112 -5.440 10.181 -5.054 1.00 0.85 C ATOM 1803 CG ARG A 112 -5.208 10.907 -6.363 1.00 1.09 C ATOM 1804 CD ARG A 112 -5.533 12.381 -6.225 1.00 1.50 C ATOM 1805 NE ARG A 112 -5.476 13.077 -7.512 1.00 1.51 N ATOM 1806 CZ ARG A 112 -5.719 14.379 -7.680 1.00 1.75 C ATOM 1807 NH1 ARG A 112 -5.991 15.156 -6.635 1.00 2.13 N ATOM 1808 NH2 ARG A 112 -5.661 14.906 -8.898 1.00 2.25 N ATOM 0 H ARG A 112 -3.328 9.107 -5.852 1.00 0.72 H new ATOM 0 HA ARG A 112 -5.381 8.270 -4.103 1.00 0.75 H new ATOM 0 HB2 ARG A 112 -6.455 10.388 -4.716 1.00 0.85 H new ATOM 0 HB3 ARG A 112 -4.764 10.591 -4.303 1.00 0.85 H new ATOM 0 HG2 ARG A 112 -4.170 10.786 -6.672 1.00 1.09 H new ATOM 0 HG3 ARG A 112 -5.827 10.465 -7.144 1.00 1.09 H new ATOM 0 HD2 ARG A 112 -6.528 12.494 -5.795 1.00 1.50 H new ATOM 0 HD3 ARG A 112 -4.831 12.844 -5.531 1.00 1.50 H new ATOM 0 HE ARG A 112 -5.234 12.529 -8.338 1.00 1.51 H new ATOM 0 HH11 ARG A 112 -6.015 14.758 -5.696 1.00 2.13 H new ATOM 0 HH12 ARG A 112 -6.175 16.150 -6.773 1.00 2.13 H new ATOM 0 HH21 ARG A 112 -5.432 14.317 -9.698 1.00 2.25 H new ATOM 0 HH22 ARG A 112 -5.846 15.900 -9.033 1.00 2.25 H new ATOM 1822 N ASP A 113 -5.951 7.997 -7.323 1.00 0.86 N ATOM 1823 CA ASP A 113 -6.811 7.393 -8.325 1.00 0.94 C ATOM 1824 C ASP A 113 -7.025 5.918 -8.027 1.00 0.93 C ATOM 1825 O ASP A 113 -8.154 5.476 -7.860 1.00 0.98 O ATOM 1826 CB ASP A 113 -6.202 7.553 -9.718 1.00 1.05 C ATOM 1827 CG ASP A 113 -6.994 6.822 -10.786 1.00 1.17 C ATOM 1828 OD1 ASP A 113 -8.012 7.371 -11.257 1.00 1.32 O ATOM 1829 OD2 ASP A 113 -6.612 5.692 -11.155 1.00 1.23 O ATOM 0 H ASP A 113 -5.095 8.406 -7.698 1.00 0.86 H new ATOM 0 HA ASP A 113 -7.774 7.903 -8.297 1.00 0.94 H new ATOM 0 HB2 ASP A 113 -6.151 8.612 -9.969 1.00 1.05 H new ATOM 0 HB3 ASP A 113 -5.179 7.178 -9.709 1.00 1.05 H new ATOM 1834 N ALA A 114 -5.929 5.177 -7.915 1.00 0.92 N ATOM 1835 CA ALA A 114 -5.991 3.733 -7.747 1.00 0.95 C ATOM 1836 C ALA A 114 -6.584 3.329 -6.401 1.00 0.91 C ATOM 1837 O ALA A 114 -7.358 2.381 -6.334 1.00 0.95 O ATOM 1838 CB ALA A 114 -4.611 3.121 -7.919 1.00 1.03 C ATOM 0 H ALA A 114 -4.982 5.556 -7.938 1.00 0.92 H new ATOM 0 HA ALA A 114 -6.656 3.349 -8.520 1.00 0.95 H new ATOM 0 HB1 ALA A 114 -4.674 2.040 -7.790 1.00 1.03 H new ATOM 0 HB2 ALA A 114 -4.235 3.347 -8.917 1.00 1.03 H new ATOM 0 HB3 ALA A 114 -3.933 3.536 -7.173 1.00 1.03 H new ATOM 1844 N VAL A 115 -6.243 4.040 -5.330 1.00 0.89 N ATOM 1845 CA VAL A 115 -6.743 3.664 -4.011 1.00 1.01 C ATOM 1846 C VAL A 115 -8.255 3.851 -3.925 1.00 1.06 C ATOM 1847 O VAL A 115 -8.934 3.103 -3.228 1.00 1.17 O ATOM 1848 CB VAL A 115 -6.058 4.427 -2.851 1.00 1.14 C ATOM 1849 CG1 VAL A 115 -4.567 4.134 -2.824 1.00 1.83 C ATOM 1850 CG2 VAL A 115 -6.312 5.925 -2.936 1.00 1.13 C ATOM 0 H VAL A 115 -5.637 4.860 -5.346 1.00 0.89 H new ATOM 0 HA VAL A 115 -6.494 2.609 -3.893 1.00 1.01 H new ATOM 0 HB VAL A 115 -6.498 4.073 -1.919 1.00 1.14 H new ATOM 0 HG11 VAL A 115 -4.104 4.680 -2.002 1.00 1.83 H new ATOM 0 HG12 VAL A 115 -4.409 3.065 -2.685 1.00 1.83 H new ATOM 0 HG13 VAL A 115 -4.117 4.447 -3.766 1.00 1.83 H new ATOM 0 HG21 VAL A 115 -5.815 6.426 -2.105 1.00 1.13 H new ATOM 0 HG22 VAL A 115 -5.919 6.308 -3.878 1.00 1.13 H new ATOM 0 HG23 VAL A 115 -7.384 6.116 -2.886 1.00 1.13 H new ATOM 1860 N LYS A 116 -8.788 4.843 -4.635 1.00 1.06 N ATOM 1861 CA LYS A 116 -10.235 5.036 -4.667 1.00 1.22 C ATOM 1862 C LYS A 116 -10.887 4.178 -5.753 1.00 1.24 C ATOM 1863 O LYS A 116 -12.013 3.709 -5.593 1.00 1.48 O ATOM 1864 CB LYS A 116 -10.581 6.509 -4.890 1.00 1.30 C ATOM 1865 CG LYS A 116 -10.183 7.417 -3.736 1.00 2.03 C ATOM 1866 CD LYS A 116 -10.695 8.835 -3.944 1.00 2.39 C ATOM 1867 CE LYS A 116 -12.216 8.876 -3.985 1.00 3.01 C ATOM 1868 NZ LYS A 116 -12.732 10.223 -4.344 1.00 3.72 N ATOM 0 H LYS A 116 -8.252 5.513 -5.186 1.00 1.06 H new ATOM 0 HA LYS A 116 -10.628 4.723 -3.700 1.00 1.22 H new ATOM 0 HB2 LYS A 116 -10.087 6.855 -5.798 1.00 1.30 H new ATOM 0 HB3 LYS A 116 -11.654 6.599 -5.057 1.00 1.30 H new ATOM 0 HG2 LYS A 116 -10.581 7.018 -2.803 1.00 2.03 H new ATOM 0 HG3 LYS A 116 -9.097 7.431 -3.639 1.00 2.03 H new ATOM 0 HD2 LYS A 116 -10.334 9.476 -3.139 1.00 2.39 H new ATOM 0 HD3 LYS A 116 -10.294 9.236 -4.875 1.00 2.39 H new ATOM 0 HE2 LYS A 116 -12.578 8.145 -4.708 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -12.612 8.585 -3.012 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -13.772 10.204 -4.360 1.00 3.72 H new ATOM 0 HZ2 LYS A 116 -12.409 10.917 -3.640 1.00 3.72 H new ATOM 0 HZ3 LYS A 116 -12.377 10.492 -5.284 1.00 3.72 H new ATOM 1882 N LYS A 117 -10.170 3.972 -6.849 1.00 1.07 N ATOM 1883 CA LYS A 117 -10.696 3.237 -7.998 1.00 1.13 C ATOM 1884 C LYS A 117 -10.759 1.738 -7.711 1.00 1.02 C ATOM 1885 O LYS A 117 -11.751 1.073 -8.013 1.00 1.07 O ATOM 1886 CB LYS A 117 -9.810 3.499 -9.224 1.00 1.24 C ATOM 1887 CG LYS A 117 -10.442 3.119 -10.554 1.00 1.58 C ATOM 1888 CD LYS A 117 -11.696 3.940 -10.821 1.00 2.03 C ATOM 1889 CE LYS A 117 -12.203 3.766 -12.245 1.00 2.71 C ATOM 1890 NZ LYS A 117 -12.511 2.350 -12.568 1.00 3.47 N ATOM 0 H LYS A 117 -9.214 4.306 -6.970 1.00 1.07 H new ATOM 0 HA LYS A 117 -11.710 3.585 -8.196 1.00 1.13 H new ATOM 0 HB2 LYS A 117 -9.551 4.557 -9.249 1.00 1.24 H new ATOM 0 HB3 LYS A 117 -8.878 2.945 -9.108 1.00 1.24 H new ATOM 0 HG2 LYS A 117 -9.724 3.275 -11.359 1.00 1.58 H new ATOM 0 HG3 LYS A 117 -10.692 2.058 -10.551 1.00 1.58 H new ATOM 0 HD2 LYS A 117 -12.477 3.646 -10.120 1.00 2.03 H new ATOM 0 HD3 LYS A 117 -11.484 4.994 -10.638 1.00 2.03 H new ATOM 0 HE2 LYS A 117 -13.099 4.371 -12.385 1.00 2.71 H new ATOM 0 HE3 LYS A 117 -11.454 4.140 -12.943 1.00 2.71 H new ATOM 0 HZ1 LYS A 117 -12.963 2.298 -13.503 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -11.631 1.797 -12.577 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -13.156 1.963 -11.850 1.00 3.47 H new ATOM 1904 N TYR A 118 -9.701 1.224 -7.108 1.00 0.95 N ATOM 1905 CA TYR A 118 -9.560 -0.204 -6.862 1.00 0.95 C ATOM 1906 C TYR A 118 -10.295 -0.630 -5.589 1.00 1.19 C ATOM 1907 O TYR A 118 -10.706 -1.784 -5.463 1.00 1.58 O ATOM 1908 CB TYR A 118 -8.070 -0.556 -6.786 1.00 1.75 C ATOM 1909 CG TYR A 118 -7.772 -1.962 -6.324 1.00 1.89 C ATOM 1910 CD1 TYR A 118 -8.095 -3.046 -7.127 1.00 1.87 C ATOM 1911 CD2 TYR A 118 -7.184 -2.207 -5.090 1.00 2.44 C ATOM 1912 CE1 TYR A 118 -7.837 -4.336 -6.719 1.00 2.31 C ATOM 1913 CE2 TYR A 118 -6.921 -3.498 -4.672 1.00 2.86 C ATOM 1914 CZ TYR A 118 -7.201 -4.538 -5.457 1.00 2.77 C ATOM 1915 OH TYR A 118 -6.987 -5.846 -5.079 1.00 3.35 O ATOM 0 H TYR A 118 -8.915 1.783 -6.775 1.00 0.95 H new ATOM 0 HA TYR A 118 -10.017 -0.751 -7.686 1.00 0.95 H new ATOM 0 HB2 TYR A 118 -7.627 -0.411 -7.771 1.00 1.75 H new ATOM 0 HB3 TYR A 118 -7.580 0.145 -6.110 1.00 1.75 H new ATOM 0 HD1 TYR A 118 -8.557 -2.876 -8.088 1.00 1.87 H new ATOM 0 HD2 TYR A 118 -6.929 -1.377 -4.448 1.00 2.44 H new ATOM 0 HE1 TYR A 118 -8.110 -5.176 -7.340 1.00 2.31 H new ATOM 0 HE2 TYR A 118 -6.484 -3.666 -3.699 1.00 2.86 H new ATOM 0 HH TYR A 118 -6.861 -6.401 -5.877 1.00 3.35 H new