USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 993 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 81 MET CE :methyl -108:sc= -0.0498 (180deg=-1.63!) USER MOD Set 1.2: A 96 GLN : amide:sc= 0 X(o=-0.05,f=-0.48) USER MOD Set 2.1: A 62 HIS : no HD1:sc= -4.39! C(o=-10!,f=-17!) USER MOD Set 2.2: A 68 MET CE :methyl -135:sc= -3.89 (180deg=-6.18!) USER MOD Set 2.3: A 118 GLN : amide:sc= -1.77 K(o=-10,f=-11) USER MOD Set 3.1: A 65 THR OG1 : rot -170:sc= 0.494 USER MOD Set 3.2: A 67 THR OG1 : rot 180:sc= 0.0272 USER MOD Set 4.1: A 39 LYS NZ :NH3+ -172:sc= -0.0153 (180deg=-0.13) USER MOD Set 4.2: A 43 ASN : amide:sc= 0.805 K(o=0.79,f=-0.98) USER MOD Set 5.1: A 11 TYR OH : rot -144:sc= 1.22 USER MOD Set 5.2: A 13 GLN : amide:sc= 0.837 K(o=2.1,f=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0.0113 (180deg=-0.0217) USER MOD Single : A 12 SER OG : rot 44:sc= 0.114 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= 1.15 (180deg=0.749) USER MOD Single : A 34 ASN : amide:sc= -5.36! C(o=-5.4!,f=-4!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.97 K(o=-2,f=-6.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -172:sc= -1.27 (180deg=-1.46) USER MOD Single : A 50 MET CE :methyl -112:sc= -1.28 (180deg=-2.82!) USER MOD Single : A 54 GLN : amide:sc= -0.234 K(o=-0.23,f=-0.86) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 1.13 (180deg=0.738) USER MOD Single : A 59 CYS SG : rot 70:sc= -0.301 USER MOD Single : A 61 ASN : amide:sc= 0.88 K(o=0.88,f=-7.5!) USER MOD Single : A 66 THR OG1 : rot -79:sc= 1.07 USER MOD Single : A 69 ASN : amide:sc= -0.0967 X(o=-0.097,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc=-0.00605 (180deg=-0.134) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 178:sc= 2.06 USER MOD Single : A 85 SER OG : rot 112:sc= 0.147 USER MOD Single : A 88 SER OG : rot 90:sc= 0.424 USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 1.14 (180deg=1.04) USER MOD Single : A 100 LYS NZ :NH3+ -130:sc= 1.28 (180deg=0.862) USER MOD Single : A 102 LYS NZ :NH3+ 148:sc= 1.29 (180deg=1.17) USER MOD Single : A 103 THR OG1 : rot -163:sc= -1.19 USER MOD Single : A 111 LYS NZ :NH3+ 144:sc= -1.89! (180deg=-4.04!) USER MOD Single : A 112 GLN : amide:sc= -2.22! K(o=-2.2!,f=-0.21) USER MOD Single : A 113 LYS NZ :NH3+ 156:sc= -0.834! (180deg=-2.05!) USER MOD Single : A 117 CYS SG : rot 75:sc= 0.776 USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 5 -10.205 -6.011 -11.127 1.00 0.00 N ATOM 44 CA GLU A 5 -10.517 -5.094 -12.072 1.00 0.00 C ATOM 45 C GLU A 5 -11.217 -4.031 -11.353 1.00 0.00 C ATOM 46 O GLU A 5 -11.498 -4.181 -10.152 1.00 0.00 O ATOM 47 CB GLU A 5 -11.343 -5.665 -13.226 1.00 0.00 C ATOM 48 CG GLU A 5 -12.686 -6.146 -12.800 1.00 0.00 C ATOM 49 CD GLU A 5 -12.673 -7.510 -12.134 1.00 0.00 C ATOM 50 OE1 GLU A 5 -12.723 -8.531 -12.849 1.00 0.00 O ATOM 51 OE2 GLU A 5 -12.606 -7.588 -10.888 1.00 0.00 O ATOM 0 HA GLU A 5 -9.619 -4.725 -12.568 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.464 -4.899 -13.992 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.796 -6.490 -13.683 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.118 -5.421 -12.110 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.339 -6.185 -13.672 1.00 0.00 H new ATOM 58 N ASP A 6 -11.421 -2.982 -12.064 1.00 0.00 N ATOM 59 CA ASP A 6 -12.009 -1.700 -11.582 1.00 0.00 C ATOM 60 C ASP A 6 -10.937 -0.879 -10.906 1.00 0.00 C ATOM 61 O ASP A 6 -11.139 0.233 -10.452 1.00 0.00 O ATOM 62 CB ASP A 6 -13.214 -1.972 -10.679 1.00 0.00 C ATOM 63 CG ASP A 6 -13.784 -0.771 -9.913 1.00 0.00 C ATOM 64 OD1 ASP A 6 -14.670 -0.075 -10.459 1.00 0.00 O ATOM 65 OD2 ASP A 6 -13.390 -0.543 -8.737 1.00 0.00 O ATOM 0 H ASP A 6 -11.184 -2.951 -13.056 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.383 -1.117 -12.424 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -14.010 -2.394 -11.292 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.931 -2.735 -9.954 1.00 0.00 H new ATOM 70 N GLU A 7 -9.780 -1.403 -10.949 1.00 0.00 N ATOM 71 CA GLU A 7 -8.677 -0.843 -10.356 1.00 0.00 C ATOM 72 C GLU A 7 -7.696 -0.599 -11.418 1.00 0.00 C ATOM 73 O GLU A 7 -7.528 -1.401 -12.351 1.00 0.00 O ATOM 74 CB GLU A 7 -8.211 -1.772 -9.234 1.00 0.00 C ATOM 75 CG GLU A 7 -7.956 -3.195 -9.734 1.00 0.00 C ATOM 76 CD GLU A 7 -7.665 -4.191 -8.657 1.00 0.00 C ATOM 77 OE1 GLU A 7 -8.297 -4.142 -7.583 1.00 0.00 O ATOM 78 OE2 GLU A 7 -6.816 -5.054 -8.865 1.00 0.00 O ATOM 0 H GLU A 7 -9.584 -2.282 -11.429 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.869 0.117 -9.878 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.298 -1.375 -8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.964 -1.794 -8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.828 -3.531 -10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.117 -3.177 -10.430 1.00 0.00 H new ATOM 85 N LYS A 8 -7.078 0.496 -11.308 1.00 0.00 N ATOM 86 CA LYS A 8 -6.212 0.920 -12.330 1.00 0.00 C ATOM 87 C LYS A 8 -4.817 1.179 -11.830 1.00 0.00 C ATOM 88 O LYS A 8 -4.624 1.391 -10.628 1.00 0.00 O ATOM 89 CB LYS A 8 -6.785 2.122 -13.077 1.00 0.00 C ATOM 90 CG LYS A 8 -7.072 3.327 -12.190 1.00 0.00 C ATOM 91 CD LYS A 8 -7.811 4.433 -12.938 1.00 0.00 C ATOM 92 CE LYS A 8 -9.144 3.936 -13.480 1.00 0.00 C ATOM 93 NZ LYS A 8 -9.968 5.022 -14.046 1.00 0.00 N ATOM 0 H LYS A 8 -7.152 1.129 -10.512 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.132 0.099 -13.042 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.085 2.418 -13.858 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.708 1.822 -13.573 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.667 3.011 -11.333 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.133 3.720 -11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.979 5.278 -12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.193 4.795 -13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.962 3.185 -14.249 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.697 3.445 -12.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.781 4.614 -14.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.308 5.636 -13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.396 5.582 -14.709 1.00 0.00 H new ATOM 107 N VAL A 9 -3.863 1.192 -12.746 1.00 0.00 N ATOM 108 CA VAL A 9 -2.494 1.400 -12.422 1.00 0.00 C ATOM 109 C VAL A 9 -2.279 2.870 -12.235 1.00 0.00 C ATOM 110 O VAL A 9 -2.528 3.677 -13.138 1.00 0.00 O ATOM 111 CB VAL A 9 -1.538 0.890 -13.542 1.00 0.00 C ATOM 112 CG1 VAL A 9 -0.075 1.033 -13.125 1.00 0.00 C ATOM 113 CG2 VAL A 9 -1.847 -0.551 -13.921 1.00 0.00 C ATOM 0 H VAL A 9 -4.037 1.055 -13.742 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.267 0.839 -11.515 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.705 1.513 -14.421 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.569 0.669 -13.926 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.147 2.082 -12.929 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.105 0.450 -12.222 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.162 -0.876 -14.704 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.728 -1.191 -13.047 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.873 -0.620 -14.284 1.00 0.00 H new ATOM 123 N LEU A 10 -1.883 3.209 -11.076 1.00 0.00 N ATOM 124 CA LEU A 10 -1.585 4.582 -10.757 1.00 0.00 C ATOM 125 C LEU A 10 -0.083 4.821 -10.851 1.00 0.00 C ATOM 126 O LEU A 10 0.366 5.768 -11.479 1.00 0.00 O ATOM 127 CB LEU A 10 -2.173 4.955 -9.369 1.00 0.00 C ATOM 128 CG LEU A 10 -2.222 6.457 -8.952 1.00 0.00 C ATOM 129 CD1 LEU A 10 -0.849 7.037 -8.635 1.00 0.00 C ATOM 130 CD2 LEU A 10 -2.922 7.294 -10.020 1.00 0.00 C ATOM 0 H LEU A 10 -1.749 2.556 -10.304 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.060 5.242 -11.482 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.191 4.568 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.597 4.421 -8.613 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.799 6.499 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.953 8.084 -8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.401 6.481 -7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.210 6.961 -9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.944 8.338 -9.707 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.380 7.209 -10.962 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.942 6.934 -10.154 1.00 0.00 H new ATOM 142 N TYR A 11 0.678 3.958 -10.254 1.00 0.00 N ATOM 143 CA TYR A 11 2.122 4.108 -10.250 1.00 0.00 C ATOM 144 C TYR A 11 2.772 2.756 -10.173 1.00 0.00 C ATOM 145 O TYR A 11 2.255 1.850 -9.516 1.00 0.00 O ATOM 146 CB TYR A 11 2.553 4.993 -9.079 1.00 0.00 C ATOM 147 CG TYR A 11 4.004 5.440 -9.079 1.00 0.00 C ATOM 148 CD1 TYR A 11 4.437 6.412 -9.967 1.00 0.00 C ATOM 149 CD2 TYR A 11 4.921 4.932 -8.164 1.00 0.00 C ATOM 150 CE1 TYR A 11 5.734 6.871 -9.950 1.00 0.00 C ATOM 151 CE2 TYR A 11 6.233 5.382 -8.147 1.00 0.00 C ATOM 152 CZ TYR A 11 6.631 6.355 -9.043 1.00 0.00 C ATOM 153 OH TYR A 11 7.933 6.843 -9.013 1.00 0.00 O ATOM 0 H TYR A 11 0.334 3.136 -9.758 1.00 0.00 H new ATOM 0 HA TYR A 11 2.440 4.590 -11.174 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.920 5.881 -9.069 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.360 4.453 -8.152 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.742 6.818 -10.687 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.607 4.178 -7.458 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.047 7.634 -10.647 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.938 4.974 -7.438 1.00 0.00 H new ATOM 0 HH TYR A 11 8.552 6.111 -8.810 1.00 0.00 H new ATOM 163 N SER A 12 3.831 2.608 -10.901 1.00 0.00 N ATOM 164 CA SER A 12 4.591 1.431 -10.967 1.00 0.00 C ATOM 165 C SER A 12 6.090 1.736 -10.766 1.00 0.00 C ATOM 166 O SER A 12 6.663 2.557 -11.500 1.00 0.00 O ATOM 167 CB SER A 12 4.327 0.842 -12.329 1.00 0.00 C ATOM 168 OG SER A 12 4.469 1.821 -13.359 1.00 0.00 O ATOM 0 H SER A 12 4.197 3.354 -11.493 1.00 0.00 H new ATOM 0 HA SER A 12 4.315 0.730 -10.179 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.018 0.019 -12.511 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.320 0.426 -12.358 1.00 0.00 H new ATOM 0 HG SER A 12 5.274 2.355 -13.194 1.00 0.00 H new ATOM 174 N GLN A 13 6.711 1.129 -9.767 1.00 0.00 N ATOM 175 CA GLN A 13 8.146 1.310 -9.553 1.00 0.00 C ATOM 176 C GLN A 13 8.767 0.077 -8.950 1.00 0.00 C ATOM 177 O GLN A 13 8.166 -0.581 -8.136 1.00 0.00 O ATOM 178 CB GLN A 13 8.430 2.571 -8.738 1.00 0.00 C ATOM 179 CG GLN A 13 9.892 2.960 -8.619 1.00 0.00 C ATOM 180 CD GLN A 13 10.070 4.173 -7.742 1.00 0.00 C ATOM 181 OE1 GLN A 13 10.029 5.304 -8.208 1.00 0.00 O ATOM 182 NE2 GLN A 13 10.273 3.950 -6.477 1.00 0.00 N ATOM 0 H GLN A 13 6.254 0.512 -9.096 1.00 0.00 H new ATOM 0 HA GLN A 13 8.619 1.454 -10.524 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.887 3.402 -9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.027 2.432 -7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.460 2.125 -8.207 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.298 3.163 -9.610 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.300 2.993 -6.126 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.405 4.732 -5.836 1.00 0.00 H new ATOM 191 N ARG A 14 9.987 -0.206 -9.337 1.00 0.00 N ATOM 192 CA ARG A 14 10.643 -1.399 -8.924 1.00 0.00 C ATOM 193 C ARG A 14 11.165 -1.247 -7.508 1.00 0.00 C ATOM 194 O ARG A 14 11.928 -0.325 -7.180 1.00 0.00 O ATOM 195 CB ARG A 14 11.734 -1.763 -9.913 1.00 0.00 C ATOM 196 CG ARG A 14 12.145 -3.216 -9.880 1.00 0.00 C ATOM 197 CD ARG A 14 13.003 -3.554 -11.076 1.00 0.00 C ATOM 198 NE ARG A 14 12.351 -3.181 -12.345 1.00 0.00 N ATOM 199 CZ ARG A 14 12.954 -3.175 -13.538 1.00 0.00 C ATOM 200 NH1 ARG A 14 14.215 -3.589 -13.653 1.00 0.00 N ATOM 201 NH2 ARG A 14 12.290 -2.751 -14.610 1.00 0.00 N ATOM 0 H ARG A 14 10.544 0.392 -9.948 1.00 0.00 H new ATOM 0 HA ARG A 14 9.931 -2.225 -8.914 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.393 -1.517 -10.919 1.00 0.00 H new ATOM 0 HB3 ARG A 14 12.610 -1.145 -9.713 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.694 -3.423 -8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.258 -3.850 -9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.959 -3.038 -10.994 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.217 -4.623 -11.079 1.00 0.00 H new ATOM 0 HE ARG A 14 11.369 -2.908 -12.310 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.723 -3.912 -12.829 1.00 0.00 H new ATOM 0 HH12 ARG A 14 14.673 -3.583 -14.565 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.325 -2.432 -14.519 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.746 -2.744 -15.523 1.00 0.00 H new ATOM 215 N VAL A 15 10.740 -2.139 -6.705 1.00 0.00 N ATOM 216 CA VAL A 15 10.985 -2.160 -5.311 1.00 0.00 C ATOM 217 C VAL A 15 11.571 -3.532 -4.968 1.00 0.00 C ATOM 218 O VAL A 15 11.656 -4.412 -5.841 1.00 0.00 O ATOM 219 CB VAL A 15 9.613 -1.977 -4.564 1.00 0.00 C ATOM 220 CG1 VAL A 15 8.742 -3.237 -4.640 1.00 0.00 C ATOM 221 CG2 VAL A 15 9.786 -1.499 -3.132 1.00 0.00 C ATOM 0 H VAL A 15 10.174 -2.928 -7.019 1.00 0.00 H new ATOM 0 HA VAL A 15 11.672 -1.367 -5.015 1.00 0.00 H new ATOM 0 HB VAL A 15 9.082 -1.186 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.805 -3.064 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.531 -3.471 -5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.270 -4.072 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.808 -1.390 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.376 -2.227 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.299 -0.537 -3.129 1.00 0.00 H new ATOM 231 N LYS A 16 11.980 -3.709 -3.752 1.00 0.00 N ATOM 232 CA LYS A 16 12.440 -4.980 -3.282 1.00 0.00 C ATOM 233 C LYS A 16 11.373 -5.456 -2.328 1.00 0.00 C ATOM 234 O LYS A 16 11.016 -4.703 -1.405 1.00 0.00 O ATOM 235 CB LYS A 16 13.781 -4.827 -2.534 1.00 0.00 C ATOM 236 CG LYS A 16 14.861 -4.088 -3.323 1.00 0.00 C ATOM 237 CD LYS A 16 16.215 -4.163 -2.632 1.00 0.00 C ATOM 238 CE LYS A 16 17.296 -3.487 -3.465 1.00 0.00 C ATOM 239 NZ LYS A 16 18.640 -3.628 -2.859 1.00 0.00 N ATOM 0 H LYS A 16 12.005 -2.970 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 16 12.606 -5.678 -4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.603 -4.296 -1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.153 -5.818 -2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.938 -4.516 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.572 -3.044 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.154 -3.686 -1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.482 -5.206 -2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.304 -3.918 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.058 -2.429 -3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.343 -3.153 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.642 -3.194 -1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.880 -4.637 -2.777 1.00 0.00 H new ATOM 253 N LEU A 17 10.853 -6.670 -2.501 1.00 0.00 N ATOM 254 CA LEU A 17 9.769 -7.076 -1.684 1.00 0.00 C ATOM 255 C LEU A 17 10.305 -8.002 -0.668 1.00 0.00 C ATOM 256 O LEU A 17 11.269 -8.688 -0.921 1.00 0.00 O ATOM 257 CB LEU A 17 8.669 -7.758 -2.515 1.00 0.00 C ATOM 258 CG LEU A 17 7.495 -8.318 -1.743 1.00 0.00 C ATOM 259 CD1 LEU A 17 6.736 -7.206 -1.054 1.00 0.00 C ATOM 260 CD2 LEU A 17 6.601 -9.111 -2.659 1.00 0.00 C ATOM 0 H LEU A 17 11.171 -7.355 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 17 9.312 -6.208 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.290 -7.036 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.123 -8.570 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 17 7.867 -8.992 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.895 -7.627 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.399 -6.687 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.366 -6.502 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.760 -9.509 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.229 -8.464 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.166 -9.935 -3.096 1.00 0.00 H new ATOM 272 N PHE A 18 9.725 -7.977 0.467 1.00 0.00 N ATOM 273 CA PHE A 18 10.119 -8.767 1.595 1.00 0.00 C ATOM 274 C PHE A 18 8.898 -9.331 2.290 1.00 0.00 C ATOM 275 O PHE A 18 7.836 -8.733 2.266 1.00 0.00 O ATOM 276 CB PHE A 18 10.892 -7.900 2.607 1.00 0.00 C ATOM 277 CG PHE A 18 12.328 -7.560 2.278 1.00 0.00 C ATOM 278 CD1 PHE A 18 12.645 -6.676 1.260 1.00 0.00 C ATOM 279 CD2 PHE A 18 13.362 -8.125 3.008 1.00 0.00 C ATOM 280 CE1 PHE A 18 13.959 -6.369 0.973 1.00 0.00 C ATOM 281 CE2 PHE A 18 14.677 -7.819 2.729 1.00 0.00 C ATOM 282 CZ PHE A 18 14.977 -6.940 1.709 1.00 0.00 C ATOM 0 H PHE A 18 8.921 -7.380 0.659 1.00 0.00 H new ATOM 0 HA PHE A 18 10.753 -9.578 1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.346 -6.966 2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 18 10.879 -8.413 3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.853 -6.221 0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.134 -8.815 3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 18 14.191 -5.682 0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.471 -8.267 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 18 16.006 -6.699 1.487 1.00 0.00 H new ATOM 292 N ARG A 19 9.038 -10.498 2.827 1.00 0.00 N ATOM 293 CA ARG A 19 8.066 -11.084 3.690 1.00 0.00 C ATOM 294 C ARG A 19 8.717 -11.397 4.955 1.00 0.00 C ATOM 295 O ARG A 19 9.899 -11.684 5.035 1.00 0.00 O ATOM 296 CB ARG A 19 7.425 -12.342 3.163 1.00 0.00 C ATOM 297 CG ARG A 19 6.393 -13.035 4.077 1.00 0.00 C ATOM 298 CD ARG A 19 6.089 -14.433 3.589 1.00 0.00 C ATOM 299 NE ARG A 19 5.296 -15.214 4.541 1.00 0.00 N ATOM 300 CZ ARG A 19 5.282 -16.558 4.615 1.00 0.00 C ATOM 301 NH1 ARG A 19 6.021 -17.289 3.790 1.00 0.00 N ATOM 302 NH2 ARG A 19 4.531 -17.141 5.531 1.00 0.00 N ATOM 0 H ARG A 19 9.856 -11.087 2.673 1.00 0.00 H new ATOM 0 HA ARG A 19 7.262 -10.354 3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.936 -12.104 2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.216 -13.058 2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.776 -13.077 5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.475 -12.448 4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.552 -14.372 2.642 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.026 -14.954 3.392 1.00 0.00 H new ATOM 0 HE ARG A 19 4.709 -14.700 5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.607 -16.833 3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.003 -18.307 3.855 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.973 -16.574 6.169 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.509 -18.158 5.600 1.00 0.00 H new ATOM 316 N PHE A 20 7.958 -11.312 5.877 1.00 0.00 N ATOM 317 CA PHE A 20 8.278 -11.589 7.198 1.00 0.00 C ATOM 318 C PHE A 20 7.804 -12.970 7.396 1.00 0.00 C ATOM 319 O PHE A 20 6.612 -13.244 7.276 1.00 0.00 O ATOM 320 CB PHE A 20 7.513 -10.700 8.141 1.00 0.00 C ATOM 321 CG PHE A 20 8.381 -10.013 9.147 1.00 0.00 C ATOM 322 CD1 PHE A 20 8.904 -10.714 10.220 1.00 0.00 C ATOM 323 CD2 PHE A 20 8.680 -8.669 9.017 1.00 0.00 C ATOM 324 CE1 PHE A 20 9.709 -10.087 11.145 1.00 0.00 C ATOM 325 CE2 PHE A 20 9.484 -8.036 9.942 1.00 0.00 C ATOM 326 CZ PHE A 20 9.999 -8.746 11.005 1.00 0.00 C ATOM 0 H PHE A 20 6.988 -11.020 5.758 1.00 0.00 H new ATOM 0 HA PHE A 20 9.341 -11.442 7.390 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.975 -9.949 7.564 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.765 -11.296 8.664 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.678 -11.764 10.333 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.280 -8.110 8.184 1.00 0.00 H new ATOM 0 HE1 PHE A 20 10.112 -10.644 11.978 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.710 -6.985 9.833 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.630 -8.252 11.729 1.00 0.00 H new ATOM 336 N ASP A 21 8.675 -13.826 7.633 1.00 0.00 N ATOM 337 CA ASP A 21 8.305 -15.176 7.819 1.00 0.00 C ATOM 338 C ASP A 21 7.990 -15.384 9.207 1.00 0.00 C ATOM 339 O ASP A 21 8.742 -15.083 10.051 1.00 0.00 O ATOM 340 CB ASP A 21 9.338 -16.187 7.413 1.00 0.00 C ATOM 341 CG ASP A 21 8.628 -17.345 6.765 1.00 0.00 C ATOM 342 OD1 ASP A 21 7.975 -18.111 7.484 1.00 0.00 O ATOM 343 OD2 ASP A 21 8.689 -17.474 5.530 1.00 0.00 O ATOM 0 H ASP A 21 9.674 -13.635 7.709 1.00 0.00 H new ATOM 0 HA ASP A 21 7.451 -15.337 7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.054 -15.743 6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.903 -16.525 8.282 1.00 0.00 H new ATOM 348 N ALA A 22 6.850 -15.770 9.409 1.00 0.00 N ATOM 349 CA ALA A 22 6.337 -16.103 10.709 1.00 0.00 C ATOM 350 C ALA A 22 7.011 -17.363 11.203 1.00 0.00 C ATOM 351 O ALA A 22 7.359 -17.484 12.379 1.00 0.00 O ATOM 352 CB ALA A 22 4.836 -16.287 10.658 1.00 0.00 C ATOM 0 H ALA A 22 6.166 -15.887 8.662 1.00 0.00 H new ATOM 0 HA ALA A 22 6.550 -15.287 11.399 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.466 -16.539 11.652 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.367 -15.363 10.320 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.591 -17.092 9.965 1.00 0.00 H new ATOM 358 N GLU A 23 7.257 -18.264 10.268 1.00 0.00 N ATOM 359 CA GLU A 23 7.834 -19.544 10.557 1.00 0.00 C ATOM 360 C GLU A 23 9.338 -19.425 10.670 1.00 0.00 C ATOM 361 O GLU A 23 9.985 -20.231 11.345 1.00 0.00 O ATOM 362 CB GLU A 23 7.455 -20.530 9.465 1.00 0.00 C ATOM 363 CG GLU A 23 5.955 -20.661 9.268 1.00 0.00 C ATOM 364 CD GLU A 23 5.610 -21.580 8.142 1.00 0.00 C ATOM 365 OE1 GLU A 23 5.716 -22.800 8.319 1.00 0.00 O ATOM 366 OE2 GLU A 23 5.217 -21.106 7.059 1.00 0.00 O ATOM 0 H GLU A 23 7.056 -18.116 9.279 1.00 0.00 H new ATOM 0 HA GLU A 23 7.449 -19.907 11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.912 -20.215 8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.869 -21.508 9.709 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.501 -21.030 10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.529 -19.677 9.075 1.00 0.00 H new ATOM 373 N VAL A 24 9.911 -18.416 10.003 1.00 0.00 N ATOM 374 CA VAL A 24 11.361 -18.211 10.111 1.00 0.00 C ATOM 375 C VAL A 24 11.636 -17.121 11.083 1.00 0.00 C ATOM 376 O VAL A 24 12.773 -16.898 11.527 1.00 0.00 O ATOM 377 CB VAL A 24 12.056 -17.839 8.775 1.00 0.00 C ATOM 378 CG1 VAL A 24 13.573 -18.021 8.839 1.00 0.00 C ATOM 379 CG2 VAL A 24 11.488 -18.625 7.684 1.00 0.00 C ATOM 0 H VAL A 24 9.417 -17.753 9.406 1.00 0.00 H new ATOM 0 HA VAL A 24 11.768 -19.169 10.434 1.00 0.00 H new ATOM 0 HB VAL A 24 11.873 -16.780 8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 24 14.013 -17.748 7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.983 -17.383 9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.805 -19.062 9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.981 -18.359 6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.638 -19.686 7.884 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.421 -18.418 7.604 1.00 0.00 H new ATOM 389 N SER A 25 10.557 -16.477 11.456 1.00 0.00 N ATOM 390 CA SER A 25 10.572 -15.236 12.164 1.00 0.00 C ATOM 391 C SER A 25 11.400 -14.259 11.430 1.00 0.00 C ATOM 392 O SER A 25 11.954 -13.332 12.038 1.00 0.00 O ATOM 393 CB SER A 25 11.071 -15.449 13.525 1.00 0.00 C ATOM 394 OG SER A 25 10.087 -15.998 14.391 1.00 0.00 O ATOM 0 H SER A 25 9.616 -16.821 11.265 1.00 0.00 H new ATOM 0 HA SER A 25 9.560 -14.836 12.236 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.932 -16.116 13.491 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.419 -14.500 13.933 1.00 0.00 H new ATOM 0 HG SER A 25 10.470 -16.122 15.284 1.00 0.00 H new ATOM 400 N GLN A 26 11.447 -14.357 10.104 1.00 0.00 N ATOM 401 CA GLN A 26 12.423 -13.508 9.540 1.00 0.00 C ATOM 402 C GLN A 26 11.960 -12.735 8.321 1.00 0.00 C ATOM 403 O GLN A 26 11.223 -13.234 7.509 1.00 0.00 O ATOM 404 CB GLN A 26 13.731 -14.278 9.274 1.00 0.00 C ATOM 405 CG GLN A 26 14.885 -13.437 8.745 1.00 0.00 C ATOM 406 CD GLN A 26 16.153 -14.237 8.568 1.00 0.00 C ATOM 407 OE1 GLN A 26 16.968 -14.339 9.487 1.00 0.00 O ATOM 408 NE2 GLN A 26 16.342 -14.800 7.400 1.00 0.00 N ATOM 0 H GLN A 26 10.887 -14.944 9.486 1.00 0.00 H new ATOM 0 HA GLN A 26 12.615 -12.740 10.289 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.047 -14.756 10.201 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.526 -15.074 8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.601 -12.997 7.789 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.073 -12.612 9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.644 -14.693 6.664 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.187 -15.345 7.227 1.00 0.00 H new ATOM 417 N TRP A 27 12.464 -11.536 8.200 1.00 0.00 N ATOM 418 CA TRP A 27 12.244 -10.678 7.141 1.00 0.00 C ATOM 419 C TRP A 27 13.165 -11.090 5.983 1.00 0.00 C ATOM 420 O TRP A 27 14.390 -11.018 6.079 1.00 0.00 O ATOM 421 CB TRP A 27 12.531 -9.253 7.662 1.00 0.00 C ATOM 422 CG TRP A 27 13.876 -9.074 8.358 1.00 0.00 C ATOM 423 CD1 TRP A 27 15.020 -8.565 7.809 1.00 0.00 C ATOM 424 CD2 TRP A 27 14.208 -9.409 9.721 1.00 0.00 C ATOM 425 NE1 TRP A 27 16.034 -8.584 8.729 1.00 0.00 N ATOM 426 CE2 TRP A 27 15.565 -9.092 9.908 1.00 0.00 C ATOM 427 CE3 TRP A 27 13.491 -9.953 10.794 1.00 0.00 C ATOM 428 CZ2 TRP A 27 16.218 -9.301 11.120 1.00 0.00 C ATOM 429 CZ3 TRP A 27 14.139 -10.157 11.993 1.00 0.00 C ATOM 430 CH2 TRP A 27 15.490 -9.834 12.148 1.00 0.00 C ATOM 0 H TRP A 27 13.079 -11.135 8.908 1.00 0.00 H new ATOM 0 HA TRP A 27 11.223 -10.714 6.762 1.00 0.00 H new ATOM 0 HB2 TRP A 27 12.479 -8.559 6.823 1.00 0.00 H new ATOM 0 HB3 TRP A 27 11.740 -8.972 8.357 1.00 0.00 H new ATOM 0 HD1 TRP A 27 15.111 -8.201 6.796 1.00 0.00 H new ATOM 0 HE1 TRP A 27 16.989 -8.269 8.561 1.00 0.00 H new ATOM 0 HE3 TRP A 27 12.447 -10.208 10.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 17.261 -9.051 11.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 13.594 -10.574 12.827 1.00 0.00 H new ATOM 0 HH2 TRP A 27 15.969 -10.009 13.100 1.00 0.00 H new ATOM 441 N LYS A 28 12.587 -11.599 4.950 1.00 0.00 N ATOM 442 CA LYS A 28 13.336 -12.059 3.814 1.00 0.00 C ATOM 443 C LYS A 28 12.723 -11.576 2.559 1.00 0.00 C ATOM 444 O LYS A 28 11.502 -11.527 2.428 1.00 0.00 O ATOM 445 CB LYS A 28 13.490 -13.591 3.817 1.00 0.00 C ATOM 446 CG LYS A 28 14.231 -14.123 2.604 1.00 0.00 C ATOM 447 CD LYS A 28 14.413 -15.620 2.625 1.00 0.00 C ATOM 448 CE LYS A 28 15.124 -16.083 1.359 1.00 0.00 C ATOM 449 NZ LYS A 28 16.425 -15.389 1.165 1.00 0.00 N ATOM 0 H LYS A 28 11.577 -11.712 4.861 1.00 0.00 H new ATOM 0 HA LYS A 28 14.340 -11.641 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.021 -13.894 4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.502 -14.048 3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.686 -13.843 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.209 -13.646 2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.991 -15.911 3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.443 -16.110 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.291 -17.159 1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.484 -15.900 0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.014 -15.935 0.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.257 -14.439 0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.914 -15.307 2.079 1.00 0.00 H new ATOM 463 N GLU A 29 13.579 -11.193 1.646 1.00 0.00 N ATOM 464 CA GLU A 29 13.199 -10.721 0.434 1.00 0.00 C ATOM 465 C GLU A 29 12.431 -11.737 -0.351 1.00 0.00 C ATOM 466 O GLU A 29 12.783 -12.914 -0.440 1.00 0.00 O ATOM 467 CB GLU A 29 14.334 -10.012 -0.350 1.00 0.00 C ATOM 468 CG GLU A 29 15.758 -10.529 -0.108 1.00 0.00 C ATOM 469 CD GLU A 29 15.954 -11.976 -0.444 1.00 0.00 C ATOM 470 OE1 GLU A 29 15.972 -12.314 -1.643 1.00 0.00 O ATOM 471 OE2 GLU A 29 16.115 -12.796 0.495 1.00 0.00 O ATOM 0 H GLU A 29 14.590 -11.221 1.779 1.00 0.00 H new ATOM 0 HA GLU A 29 12.493 -9.913 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.117 -10.095 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.309 -8.951 -0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.454 -9.933 -0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.015 -10.373 0.940 1.00 0.00 H new ATOM 478 N ARG A 30 11.384 -11.267 -0.863 1.00 0.00 N ATOM 479 CA ARG A 30 10.442 -12.057 -1.614 1.00 0.00 C ATOM 480 C ARG A 30 10.825 -11.992 -3.052 1.00 0.00 C ATOM 481 O ARG A 30 10.465 -12.834 -3.849 1.00 0.00 O ATOM 482 CB ARG A 30 9.030 -11.510 -1.455 1.00 0.00 C ATOM 483 CG ARG A 30 8.351 -11.875 -0.153 1.00 0.00 C ATOM 484 CD ARG A 30 7.582 -13.198 -0.243 1.00 0.00 C ATOM 485 NE ARG A 30 6.344 -13.054 -1.050 1.00 0.00 N ATOM 486 CZ ARG A 30 5.096 -13.420 -0.651 1.00 0.00 C ATOM 487 NH1 ARG A 30 4.937 -14.280 0.349 1.00 0.00 N ATOM 488 NH2 ARG A 30 4.035 -13.026 -1.341 1.00 0.00 N ATOM 0 H ARG A 30 11.120 -10.285 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 30 10.460 -13.083 -1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.065 -10.424 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.419 -11.874 -2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.100 -11.947 0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.664 -11.078 0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.220 -13.962 -0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.326 -13.540 0.760 1.00 0.00 H new ATOM 0 HE ARG A 30 6.437 -12.647 -1.981 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.753 -14.669 0.822 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.999 -14.551 0.644 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.154 -12.447 -2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.100 -13.301 -1.040 1.00 0.00 H new ATOM 502 N GLY A 31 11.525 -10.946 -3.382 1.00 0.00 N ATOM 503 CA GLY A 31 11.979 -10.749 -4.680 1.00 0.00 C ATOM 504 C GLY A 31 12.214 -9.304 -4.910 1.00 0.00 C ATOM 505 O GLY A 31 12.328 -8.528 -3.960 1.00 0.00 O ATOM 0 H GLY A 31 11.788 -10.208 -2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.900 -11.308 -4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.247 -11.127 -5.394 1.00 0.00 H new ATOM 509 N LEU A 32 12.221 -8.958 -6.124 1.00 0.00 N ATOM 510 CA LEU A 32 12.486 -7.640 -6.623 1.00 0.00 C ATOM 511 C LEU A 32 11.534 -7.443 -7.777 1.00 0.00 C ATOM 512 O LEU A 32 11.355 -8.366 -8.596 1.00 0.00 O ATOM 513 CB LEU A 32 13.926 -7.565 -7.172 1.00 0.00 C ATOM 514 CG LEU A 32 15.063 -8.005 -6.237 1.00 0.00 C ATOM 515 CD1 LEU A 32 16.375 -7.971 -6.969 1.00 0.00 C ATOM 516 CD2 LEU A 32 15.146 -7.125 -5.022 1.00 0.00 C ATOM 0 H LEU A 32 12.029 -9.624 -6.872 1.00 0.00 H new ATOM 0 HA LEU A 32 12.367 -6.891 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.975 -8.176 -8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.118 -6.536 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 32 14.849 -9.023 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.174 -8.285 -6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.333 -8.647 -7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.571 -6.957 -7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.961 -7.464 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.331 -6.096 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.207 -7.176 -4.471 1.00 0.00 H new ATOM 528 N GLY A 33 10.909 -6.315 -7.861 1.00 0.00 N ATOM 529 CA GLY A 33 10.001 -6.118 -8.939 1.00 0.00 C ATOM 530 C GLY A 33 9.274 -4.821 -8.862 1.00 0.00 C ATOM 531 O GLY A 33 9.447 -4.069 -7.936 1.00 0.00 O ATOM 0 H GLY A 33 11.007 -5.533 -7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.549 -6.165 -9.880 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.277 -6.933 -8.950 1.00 0.00 H new ATOM 535 N ASN A 34 8.425 -4.612 -9.804 1.00 0.00 N ATOM 536 CA ASN A 34 7.679 -3.411 -9.979 1.00 0.00 C ATOM 537 C ASN A 34 6.490 -3.472 -9.170 1.00 0.00 C ATOM 538 O ASN A 34 5.631 -4.363 -9.314 1.00 0.00 O ATOM 539 CB ASN A 34 7.289 -3.262 -11.414 1.00 0.00 C ATOM 540 CG ASN A 34 6.549 -1.981 -11.699 1.00 0.00 C ATOM 541 OD1 ASN A 34 7.155 -0.951 -11.995 1.00 0.00 O ATOM 542 ND2 ASN A 34 5.240 -2.045 -11.633 1.00 0.00 N ATOM 0 H ASN A 34 8.219 -5.313 -10.516 1.00 0.00 H new ATOM 0 HA ASN A 34 8.290 -2.559 -9.680 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.185 -3.302 -12.033 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.664 -4.107 -11.703 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.678 -1.217 -11.832 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.784 -2.923 -11.383 1.00 0.00 H new ATOM 549 N LEU A 35 6.456 -2.562 -8.312 1.00 0.00 N ATOM 550 CA LEU A 35 5.385 -2.371 -7.481 1.00 0.00 C ATOM 551 C LEU A 35 4.445 -1.490 -8.194 1.00 0.00 C ATOM 552 O LEU A 35 4.789 -0.383 -8.585 1.00 0.00 O ATOM 553 CB LEU A 35 5.815 -1.837 -6.085 1.00 0.00 C ATOM 554 CG LEU A 35 4.729 -1.534 -5.003 1.00 0.00 C ATOM 555 CD1 LEU A 35 5.397 -1.354 -3.647 1.00 0.00 C ATOM 556 CD2 LEU A 35 3.943 -0.259 -5.317 1.00 0.00 C ATOM 0 H LEU A 35 7.216 -1.898 -8.166 1.00 0.00 H new ATOM 0 HA LEU A 35 4.890 -3.315 -7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.507 -2.563 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.378 -0.918 -6.247 1.00 0.00 H new ATOM 0 HG LEU A 35 4.039 -2.377 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.639 -1.143 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.930 -2.267 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.101 -0.524 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.200 -0.089 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.627 0.589 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.442 -0.368 -6.279 1.00 0.00 H new ATOM 568 N LYS A 36 3.305 -1.987 -8.400 1.00 0.00 N ATOM 569 CA LYS A 36 2.315 -1.288 -9.062 1.00 0.00 C ATOM 570 C LYS A 36 1.148 -1.103 -8.143 1.00 0.00 C ATOM 571 O LYS A 36 0.900 -1.919 -7.259 1.00 0.00 O ATOM 572 CB LYS A 36 1.922 -2.010 -10.355 1.00 0.00 C ATOM 573 CG LYS A 36 1.470 -3.438 -10.124 1.00 0.00 C ATOM 574 CD LYS A 36 1.279 -4.222 -11.407 1.00 0.00 C ATOM 575 CE LYS A 36 0.090 -3.753 -12.221 1.00 0.00 C ATOM 576 NZ LYS A 36 -0.091 -4.595 -13.418 1.00 0.00 N ATOM 0 H LYS A 36 3.030 -2.923 -8.101 1.00 0.00 H new ATOM 0 HA LYS A 36 2.683 -0.303 -9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.121 -1.456 -10.844 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.772 -2.010 -11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.205 -3.948 -9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.532 -3.429 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.181 -4.140 -12.013 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.152 -5.277 -11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.811 -3.785 -11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.235 -2.715 -12.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.911 -4.256 -13.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.762 -4.543 -14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.252 -5.581 -13.128 1.00 0.00 H new ATOM 590 N ILE A 37 0.440 -0.077 -8.363 1.00 0.00 N ATOM 591 CA ILE A 37 -0.696 0.233 -7.593 1.00 0.00 C ATOM 592 C ILE A 37 -1.887 0.023 -8.424 1.00 0.00 C ATOM 593 O ILE A 37 -1.966 0.568 -9.535 1.00 0.00 O ATOM 594 CB ILE A 37 -0.664 1.744 -7.188 1.00 0.00 C ATOM 595 CG1 ILE A 37 0.311 1.988 -6.055 1.00 0.00 C ATOM 596 CG2 ILE A 37 -2.065 2.304 -6.830 1.00 0.00 C ATOM 597 CD1 ILE A 37 -0.238 1.598 -4.695 1.00 0.00 C ATOM 0 H ILE A 37 0.636 0.595 -9.105 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.713 -0.395 -6.702 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.321 2.287 -8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.225 1.426 -6.245 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.583 3.043 -6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.978 3.356 -6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.727 2.206 -7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.477 1.745 -5.990 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.511 1.799 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.136 2.179 -4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.484 0.536 -4.693 1.00 0.00 H new ATOM 609 N LEU A 38 -2.788 -0.795 -7.949 1.00 0.00 N ATOM 610 CA LEU A 38 -4.066 -0.812 -8.592 1.00 0.00 C ATOM 611 C LEU A 38 -5.021 -0.197 -7.622 1.00 0.00 C ATOM 612 O LEU A 38 -4.979 -0.476 -6.428 1.00 0.00 O ATOM 613 CB LEU A 38 -4.515 -2.230 -9.007 1.00 0.00 C ATOM 614 CG LEU A 38 -3.589 -2.954 -9.990 1.00 0.00 C ATOM 615 CD1 LEU A 38 -4.002 -4.398 -10.162 1.00 0.00 C ATOM 616 CD2 LEU A 38 -3.606 -2.259 -11.332 1.00 0.00 C ATOM 0 H LEU A 38 -2.669 -1.428 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.024 -0.254 -9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.610 -2.840 -8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.507 -2.162 -9.453 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.579 -2.928 -9.581 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.328 -4.888 -10.865 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.955 -4.907 -9.199 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.021 -4.442 -10.546 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.944 -2.783 -12.022 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.621 -2.262 -11.730 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.266 -1.230 -11.213 1.00 0.00 H new ATOM 628 N LYS A 39 -5.814 0.682 -8.084 1.00 0.00 N ATOM 629 CA LYS A 39 -6.748 1.313 -7.223 1.00 0.00 C ATOM 630 C LYS A 39 -8.106 1.316 -7.818 1.00 0.00 C ATOM 631 O LYS A 39 -8.293 1.720 -8.975 1.00 0.00 O ATOM 632 CB LYS A 39 -6.306 2.725 -6.814 1.00 0.00 C ATOM 633 CG LYS A 39 -6.017 3.679 -7.964 1.00 0.00 C ATOM 634 CD LYS A 39 -5.660 5.073 -7.456 1.00 0.00 C ATOM 635 CE LYS A 39 -6.815 5.725 -6.687 1.00 0.00 C ATOM 636 NZ LYS A 39 -8.035 5.887 -7.520 1.00 0.00 N ATOM 0 H LYS A 39 -5.842 0.988 -9.056 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.786 0.724 -6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.083 3.163 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.410 2.643 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.196 3.288 -8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.889 3.740 -8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.786 5.008 -6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.385 5.706 -8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.054 5.118 -5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.497 6.701 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.738 6.451 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.788 6.372 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.434 4.951 -7.737 1.00 0.00 H new ATOM 650 N ASN A 40 -9.036 0.868 -7.032 1.00 0.00 N ATOM 651 CA ASN A 40 -10.454 0.786 -7.422 1.00 0.00 C ATOM 652 C ASN A 40 -11.019 2.147 -7.721 1.00 0.00 C ATOM 653 O ASN A 40 -10.591 3.144 -7.151 1.00 0.00 O ATOM 654 CB ASN A 40 -11.340 0.196 -6.294 1.00 0.00 C ATOM 655 CG ASN A 40 -11.090 -1.242 -5.959 1.00 0.00 C ATOM 656 OD1 ASN A 40 -11.252 -1.652 -4.814 1.00 0.00 O ATOM 657 ND2 ASN A 40 -10.778 -2.008 -6.935 1.00 0.00 N ATOM 0 H ASN A 40 -8.853 0.539 -6.084 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.471 0.142 -8.302 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.193 0.791 -5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -12.385 0.307 -6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.653 -3.008 -6.779 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.654 -1.619 -7.870 1.00 0.00 H new ATOM 664 N GLU A 41 -11.937 2.187 -8.655 1.00 0.00 N ATOM 665 CA GLU A 41 -12.688 3.308 -8.980 1.00 0.00 C ATOM 666 C GLU A 41 -13.669 3.595 -7.847 1.00 0.00 C ATOM 667 O GLU A 41 -14.144 4.723 -7.670 1.00 0.00 O ATOM 668 CB GLU A 41 -13.400 2.951 -10.235 1.00 0.00 C ATOM 669 CG GLU A 41 -12.552 3.054 -11.475 1.00 0.00 C ATOM 670 CD GLU A 41 -12.175 4.478 -11.781 1.00 0.00 C ATOM 671 OE1 GLU A 41 -11.149 4.966 -11.262 1.00 0.00 O ATOM 672 OE2 GLU A 41 -12.882 5.128 -12.568 1.00 0.00 O ATOM 0 H GLU A 41 -12.171 1.374 -9.225 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.083 4.204 -9.118 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.776 1.932 -10.149 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -14.267 3.602 -10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.648 2.459 -11.347 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.094 2.632 -12.321 1.00 0.00 H new ATOM 679 N VAL A 42 -13.945 2.553 -7.063 1.00 0.00 N ATOM 680 CA VAL A 42 -14.709 2.627 -5.902 1.00 0.00 C ATOM 681 C VAL A 42 -13.794 3.203 -4.821 1.00 0.00 C ATOM 682 O VAL A 42 -14.236 3.804 -3.837 1.00 0.00 O ATOM 683 CB VAL A 42 -15.126 1.184 -5.565 1.00 0.00 C ATOM 684 CG1 VAL A 42 -15.749 1.100 -4.236 1.00 0.00 C ATOM 685 CG2 VAL A 42 -16.058 0.632 -6.632 1.00 0.00 C ATOM 0 H VAL A 42 -13.609 1.611 -7.263 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.599 3.250 -5.995 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.223 0.574 -5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -16.031 0.067 -4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.041 1.440 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.638 1.731 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.341 -0.389 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.952 1.253 -6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.550 0.636 -7.596 1.00 0.00 H new ATOM 695 N ASN A 43 -12.490 3.033 -5.088 1.00 0.00 N ATOM 696 CA ASN A 43 -11.385 3.468 -4.279 1.00 0.00 C ATOM 697 C ASN A 43 -11.495 2.822 -2.917 1.00 0.00 C ATOM 698 O ASN A 43 -11.068 3.346 -1.901 1.00 0.00 O ATOM 699 CB ASN A 43 -11.388 4.980 -4.262 1.00 0.00 C ATOM 700 CG ASN A 43 -10.102 5.625 -3.759 1.00 0.00 C ATOM 701 OD1 ASN A 43 -9.191 5.881 -4.547 1.00 0.00 O ATOM 702 ND2 ASN A 43 -10.015 5.915 -2.489 1.00 0.00 N ATOM 0 H ASN A 43 -12.180 2.555 -5.934 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.419 3.159 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.585 5.339 -5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.214 5.319 -3.637 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.176 6.366 -2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.786 5.691 -1.861 1.00 0.00 H new ATOM 709 N GLY A 44 -12.048 1.621 -2.948 1.00 0.00 N ATOM 710 CA GLY A 44 -12.221 0.856 -1.741 1.00 0.00 C ATOM 711 C GLY A 44 -10.935 0.189 -1.378 1.00 0.00 C ATOM 712 O GLY A 44 -10.373 0.421 -0.315 1.00 0.00 O ATOM 0 H GLY A 44 -12.381 1.163 -3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.545 1.508 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.002 0.109 -1.882 1.00 0.00 H new ATOM 716 N LYS A 45 -10.453 -0.614 -2.275 1.00 0.00 N ATOM 717 CA LYS A 45 -9.204 -1.273 -2.104 1.00 0.00 C ATOM 718 C LYS A 45 -8.185 -0.642 -3.010 1.00 0.00 C ATOM 719 O LYS A 45 -8.413 -0.480 -4.224 1.00 0.00 O ATOM 720 CB LYS A 45 -9.337 -2.755 -2.434 1.00 0.00 C ATOM 721 CG LYS A 45 -10.251 -3.517 -1.491 1.00 0.00 C ATOM 722 CD LYS A 45 -10.547 -4.923 -1.992 1.00 0.00 C ATOM 723 CE LYS A 45 -11.365 -4.892 -3.276 1.00 0.00 C ATOM 724 NZ LYS A 45 -11.767 -6.241 -3.710 1.00 0.00 N ATOM 0 H LYS A 45 -10.923 -0.830 -3.154 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.887 -1.175 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.714 -2.858 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.348 -3.212 -2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.788 -3.574 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.187 -2.970 -1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.611 -5.453 -2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.089 -5.478 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.254 -4.281 -3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.782 -4.416 -4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.321 -6.173 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.919 -6.818 -3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.345 -6.686 -2.969 1.00 0.00 H new ATOM 738 N LEU A 46 -7.106 -0.223 -2.443 1.00 0.00 N ATOM 739 CA LEU A 46 -6.042 0.249 -3.174 1.00 0.00 C ATOM 740 C LEU A 46 -4.948 -0.700 -2.863 1.00 0.00 C ATOM 741 O LEU A 46 -4.680 -0.985 -1.700 1.00 0.00 O ATOM 742 CB LEU A 46 -5.566 1.586 -2.709 1.00 0.00 C ATOM 743 CG LEU A 46 -6.581 2.688 -2.255 1.00 0.00 C ATOM 744 CD1 LEU A 46 -7.648 2.955 -3.297 1.00 0.00 C ATOM 745 CD2 LEU A 46 -7.186 2.420 -0.871 1.00 0.00 C ATOM 0 H LEU A 46 -6.962 -0.210 -1.433 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.324 0.337 -4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.889 1.411 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.971 2.012 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.995 3.602 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.326 3.727 -2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.178 3.291 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.208 2.040 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.881 3.221 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.718 1.469 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.390 2.380 -0.127 1.00 0.00 H new ATOM 757 N ARG A 47 -4.329 -1.136 -3.835 1.00 0.00 N ATOM 758 CA ARG A 47 -3.314 -2.170 -3.706 1.00 0.00 C ATOM 759 C ARG A 47 -2.013 -1.809 -4.304 1.00 0.00 C ATOM 760 O ARG A 47 -1.943 -1.128 -5.299 1.00 0.00 O ATOM 761 CB ARG A 47 -3.744 -3.459 -4.376 1.00 0.00 C ATOM 762 CG ARG A 47 -4.456 -3.344 -5.698 1.00 0.00 C ATOM 763 CD ARG A 47 -5.675 -4.247 -5.776 1.00 0.00 C ATOM 764 NE ARG A 47 -5.372 -5.669 -5.565 1.00 0.00 N ATOM 765 CZ ARG A 47 -6.237 -6.668 -5.777 1.00 0.00 C ATOM 766 NH1 ARG A 47 -7.393 -6.425 -6.376 1.00 0.00 N ATOM 767 NH2 ARG A 47 -5.899 -7.914 -5.470 1.00 0.00 N ATOM 0 H ARG A 47 -4.476 -0.812 -4.791 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.198 -2.290 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.857 -4.076 -4.523 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.396 -3.997 -3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.762 -2.310 -5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.766 -3.598 -6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.403 -3.925 -5.031 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.144 -4.126 -6.752 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.438 -5.912 -5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.623 -5.477 -6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.053 -7.185 -6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.980 -8.110 -5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.558 -8.676 -5.631 1.00 0.00 H new ATOM 781 N MET A 48 -1.017 -2.293 -3.683 1.00 0.00 N ATOM 782 CA MET A 48 0.301 -2.310 -4.154 1.00 0.00 C ATOM 783 C MET A 48 0.599 -3.745 -4.368 1.00 0.00 C ATOM 784 O MET A 48 0.548 -4.539 -3.428 1.00 0.00 O ATOM 785 CB MET A 48 1.276 -1.835 -3.059 1.00 0.00 C ATOM 786 CG MET A 48 1.078 -0.429 -2.632 1.00 0.00 C ATOM 787 SD MET A 48 2.151 0.117 -1.312 1.00 0.00 S ATOM 788 CE MET A 48 1.727 1.860 -1.341 1.00 0.00 C ATOM 0 H MET A 48 -1.110 -2.720 -2.761 1.00 0.00 H new ATOM 0 HA MET A 48 0.406 -1.677 -5.035 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.172 -2.484 -2.190 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.297 -1.951 -3.423 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.227 0.221 -3.494 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.043 -0.304 -2.314 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.398 2.409 -0.680 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.827 2.242 -2.357 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.699 1.990 -1.004 1.00 0.00 H new ATOM 798 N LEU A 49 0.868 -4.097 -5.531 1.00 0.00 N ATOM 799 CA LEU A 49 1.380 -5.391 -5.756 1.00 0.00 C ATOM 800 C LEU A 49 2.596 -5.316 -6.567 1.00 0.00 C ATOM 801 O LEU A 49 2.730 -4.467 -7.439 1.00 0.00 O ATOM 802 CB LEU A 49 0.380 -6.377 -6.314 1.00 0.00 C ATOM 803 CG LEU A 49 -0.318 -6.082 -7.664 1.00 0.00 C ATOM 804 CD1 LEU A 49 0.521 -6.503 -8.852 1.00 0.00 C ATOM 805 CD2 LEU A 49 -1.690 -6.739 -7.710 1.00 0.00 C ATOM 0 H LEU A 49 0.749 -3.519 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 49 1.629 -5.797 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.889 -7.336 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.401 -6.507 -5.565 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.442 -5.001 -7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.013 -6.275 -9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.468 -5.963 -8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.713 -7.575 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.166 -6.521 -8.666 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.581 -7.818 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.307 -6.350 -6.900 1.00 0.00 H new ATOM 817 N MET A 50 3.480 -6.173 -6.301 1.00 0.00 N ATOM 818 CA MET A 50 4.665 -6.188 -6.870 1.00 0.00 C ATOM 819 C MET A 50 4.842 -7.491 -7.458 1.00 0.00 C ATOM 820 O MET A 50 4.722 -8.520 -6.821 1.00 0.00 O ATOM 821 CB MET A 50 5.745 -5.915 -5.867 1.00 0.00 C ATOM 822 CG MET A 50 5.335 -6.153 -4.417 1.00 0.00 C ATOM 823 SD MET A 50 4.355 -4.783 -3.745 1.00 0.00 S ATOM 824 CE MET A 50 3.827 -5.419 -2.171 1.00 0.00 C ATOM 0 H MET A 50 3.343 -6.922 -5.622 1.00 0.00 H new ATOM 0 HA MET A 50 4.729 -5.409 -7.630 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.604 -6.545 -6.097 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.070 -4.880 -5.974 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.758 -7.076 -4.352 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.228 -6.291 -3.807 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.749 -5.580 -2.187 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.332 -6.364 -1.972 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.075 -4.703 -1.387 1.00 0.00 H new ATOM 834 N ARG A 51 5.094 -7.401 -8.609 1.00 0.00 N ATOM 835 CA ARG A 51 5.355 -8.461 -9.533 1.00 0.00 C ATOM 836 C ARG A 51 6.798 -8.434 -9.786 1.00 0.00 C ATOM 837 O ARG A 51 7.423 -7.381 -9.795 1.00 0.00 O ATOM 838 CB ARG A 51 4.581 -8.152 -10.792 1.00 0.00 C ATOM 839 CG ARG A 51 4.664 -9.016 -12.040 1.00 0.00 C ATOM 840 CD ARG A 51 3.787 -8.345 -13.084 1.00 0.00 C ATOM 841 NE ARG A 51 3.573 -9.111 -14.302 1.00 0.00 N ATOM 842 CZ ARG A 51 3.428 -8.550 -15.509 1.00 0.00 C ATOM 843 NH1 ARG A 51 3.786 -7.283 -15.712 1.00 0.00 N ATOM 844 NH2 ARG A 51 2.954 -9.254 -16.515 1.00 0.00 N ATOM 0 H ARG A 51 5.148 -6.489 -9.062 1.00 0.00 H new ATOM 0 HA ARG A 51 5.060 -9.444 -9.166 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.529 -8.115 -10.509 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.866 -7.144 -11.092 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.693 -9.095 -12.390 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.318 -10.029 -11.835 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.817 -8.129 -12.635 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.235 -7.388 -13.350 1.00 0.00 H new ATOM 0 HE ARG A 51 3.531 -10.128 -14.233 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.174 -6.733 -14.945 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.673 -6.862 -16.634 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.695 -10.231 -16.377 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.845 -8.823 -17.433 1.00 0.00 H new ATOM 858 N ARG A 52 7.306 -9.550 -9.996 1.00 0.00 N ATOM 859 CA ARG A 52 8.636 -9.725 -10.234 1.00 0.00 C ATOM 860 C ARG A 52 8.765 -9.495 -11.689 1.00 0.00 C ATOM 861 O ARG A 52 8.068 -10.094 -12.480 1.00 0.00 O ATOM 862 CB ARG A 52 9.026 -11.115 -9.783 1.00 0.00 C ATOM 863 CG ARG A 52 8.886 -11.406 -8.280 1.00 0.00 C ATOM 864 CD ARG A 52 9.168 -12.886 -8.024 1.00 0.00 C ATOM 865 NE ARG A 52 9.189 -13.282 -6.607 1.00 0.00 N ATOM 866 CZ ARG A 52 8.721 -14.460 -6.139 1.00 0.00 C ATOM 867 NH1 ARG A 52 8.008 -15.261 -6.914 1.00 0.00 N ATOM 868 NH2 ARG A 52 8.959 -14.814 -4.892 1.00 0.00 N ATOM 0 H ARG A 52 6.768 -10.417 -10.006 1.00 0.00 H new ATOM 0 HA ARG A 52 9.303 -9.054 -9.694 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.418 -11.836 -10.329 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.063 -11.290 -10.071 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.581 -10.788 -7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.882 -11.151 -7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.412 -13.478 -8.539 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.130 -13.139 -8.470 1.00 0.00 H new ATOM 0 HE ARG A 52 9.583 -12.624 -5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.806 -14.992 -7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.661 -16.148 -6.549 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.496 -14.199 -4.281 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.606 -15.703 -4.538 1.00 0.00 H new ATOM 882 N GLU A 53 9.602 -8.582 -12.000 1.00 0.00 N ATOM 883 CA GLU A 53 9.785 -8.055 -13.353 1.00 0.00 C ATOM 884 C GLU A 53 10.147 -9.033 -14.351 1.00 0.00 C ATOM 885 O GLU A 53 9.346 -9.301 -15.252 1.00 0.00 O ATOM 886 CB GLU A 53 10.623 -6.783 -13.397 1.00 0.00 C ATOM 887 CG GLU A 53 9.801 -5.521 -13.224 1.00 0.00 C ATOM 888 CD GLU A 53 8.833 -5.319 -14.376 1.00 0.00 C ATOM 889 OE1 GLU A 53 7.748 -5.918 -14.368 1.00 0.00 O ATOM 890 OE2 GLU A 53 9.158 -4.557 -15.315 1.00 0.00 O ATOM 0 H GLU A 53 10.217 -8.145 -11.314 1.00 0.00 H new ATOM 0 HA GLU A 53 8.782 -7.754 -13.656 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.380 -6.827 -12.613 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.152 -6.737 -14.349 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.246 -5.574 -12.287 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.466 -4.660 -13.152 1.00 0.00 H new ATOM 897 N GLN A 54 11.262 -9.622 -14.234 1.00 0.00 N ATOM 898 CA GLN A 54 11.598 -10.554 -15.243 1.00 0.00 C ATOM 899 C GLN A 54 10.931 -11.898 -14.992 1.00 0.00 C ATOM 900 O GLN A 54 10.986 -12.800 -15.806 1.00 0.00 O ATOM 901 CB GLN A 54 13.096 -10.657 -15.566 1.00 0.00 C ATOM 902 CG GLN A 54 13.688 -9.421 -16.257 1.00 0.00 C ATOM 903 CD GLN A 54 13.757 -8.184 -15.376 1.00 0.00 C ATOM 904 OE1 GLN A 54 13.934 -8.265 -14.160 1.00 0.00 O ATOM 905 NE2 GLN A 54 13.592 -7.041 -15.964 1.00 0.00 N ATOM 0 H GLN A 54 11.942 -9.491 -13.485 1.00 0.00 H new ATOM 0 HA GLN A 54 11.184 -10.151 -16.167 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.642 -10.836 -14.640 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.258 -11.526 -16.204 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.692 -9.661 -16.606 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.090 -9.191 -17.139 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.447 -7.003 -16.973 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.607 -6.180 -15.418 1.00 0.00 H new ATOM 914 N VAL A 55 10.305 -11.998 -13.853 1.00 0.00 N ATOM 915 CA VAL A 55 9.663 -13.180 -13.413 1.00 0.00 C ATOM 916 C VAL A 55 8.133 -13.157 -13.752 1.00 0.00 C ATOM 917 O VAL A 55 7.427 -14.158 -13.571 1.00 0.00 O ATOM 918 CB VAL A 55 9.910 -13.213 -11.892 1.00 0.00 C ATOM 919 CG1 VAL A 55 9.044 -14.209 -11.177 1.00 0.00 C ATOM 920 CG2 VAL A 55 11.374 -13.489 -11.602 1.00 0.00 C ATOM 0 H VAL A 55 10.232 -11.226 -13.191 1.00 0.00 H new ATOM 0 HA VAL A 55 10.052 -14.070 -13.907 1.00 0.00 H new ATOM 0 HB VAL A 55 9.638 -12.229 -11.510 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.266 -14.184 -10.110 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.995 -13.959 -11.336 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.242 -15.208 -11.565 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.534 -13.509 -10.524 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.654 -14.452 -12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.987 -12.704 -12.045 1.00 0.00 H new ATOM 930 N LEU A 56 7.667 -12.021 -14.329 1.00 0.00 N ATOM 931 CA LEU A 56 6.319 -11.750 -14.797 1.00 0.00 C ATOM 932 C LEU A 56 5.202 -12.017 -13.728 1.00 0.00 C ATOM 933 O LEU A 56 4.004 -11.893 -13.989 1.00 0.00 O ATOM 934 CB LEU A 56 6.203 -12.765 -15.868 1.00 0.00 C ATOM 935 CG LEU A 56 4.867 -12.996 -16.417 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.441 -11.904 -17.383 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.671 -14.392 -16.959 1.00 0.00 C ATOM 0 H LEU A 56 8.283 -11.223 -14.482 1.00 0.00 H new ATOM 0 HA LEU A 56 6.181 -10.706 -15.077 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.860 -12.472 -16.686 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.579 -13.712 -15.481 1.00 0.00 H new ATOM 0 HG LEU A 56 4.181 -12.931 -15.572 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.443 -12.123 -17.762 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.431 -10.945 -16.866 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.143 -11.860 -18.215 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.658 -14.492 -17.350 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.388 -14.576 -17.759 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.825 -15.117 -16.160 1.00 0.00 H new ATOM 949 N LYS A 57 5.600 -12.220 -12.556 1.00 0.00 N ATOM 950 CA LYS A 57 4.684 -12.618 -11.533 1.00 0.00 C ATOM 951 C LYS A 57 4.603 -11.783 -10.237 1.00 0.00 C ATOM 952 O LYS A 57 5.568 -11.734 -9.461 1.00 0.00 O ATOM 953 CB LYS A 57 4.969 -14.043 -11.269 1.00 0.00 C ATOM 954 CG LYS A 57 4.122 -14.709 -10.187 1.00 0.00 C ATOM 955 CD LYS A 57 2.636 -14.678 -10.485 1.00 0.00 C ATOM 956 CE LYS A 57 1.855 -15.361 -9.373 1.00 0.00 C ATOM 957 NZ LYS A 57 2.255 -16.777 -9.210 1.00 0.00 N ATOM 0 H LYS A 57 6.568 -12.122 -12.250 1.00 0.00 H new ATOM 0 HA LYS A 57 3.683 -12.431 -11.921 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.836 -14.597 -12.198 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.018 -14.137 -10.989 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.441 -15.745 -10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.305 -14.212 -9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.302 -13.646 -10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.439 -15.176 -11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.015 -14.828 -8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.789 -15.307 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.591 -17.253 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.240 -17.251 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.215 -16.823 -8.813 1.00 0.00 H new ATOM 971 N VAL A 58 3.516 -11.010 -10.119 1.00 0.00 N ATOM 972 CA VAL A 58 2.960 -10.542 -8.834 1.00 0.00 C ATOM 973 C VAL A 58 3.247 -11.511 -7.702 1.00 0.00 C ATOM 974 O VAL A 58 2.833 -12.669 -7.696 1.00 0.00 O ATOM 975 CB VAL A 58 1.417 -10.268 -8.932 1.00 0.00 C ATOM 976 CG1 VAL A 58 0.626 -11.491 -9.389 1.00 0.00 C ATOM 977 CG2 VAL A 58 0.898 -9.775 -7.602 1.00 0.00 C ATOM 0 H VAL A 58 2.985 -10.684 -10.927 1.00 0.00 H new ATOM 0 HA VAL A 58 3.462 -9.601 -8.609 1.00 0.00 H new ATOM 0 HB VAL A 58 1.274 -9.501 -9.693 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.434 -11.241 -9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.972 -11.800 -10.375 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.774 -12.306 -8.680 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.173 -9.587 -7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.081 -10.530 -6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.411 -8.852 -7.331 1.00 0.00 H new ATOM 987 N CYS A 59 3.986 -11.031 -6.783 1.00 0.00 N ATOM 988 CA CYS A 59 4.377 -11.783 -5.684 1.00 0.00 C ATOM 989 C CYS A 59 3.492 -11.469 -4.490 1.00 0.00 C ATOM 990 O CYS A 59 3.105 -12.378 -3.784 1.00 0.00 O ATOM 991 CB CYS A 59 5.856 -11.521 -5.382 1.00 0.00 C ATOM 992 SG CYS A 59 6.548 -12.506 -4.040 1.00 0.00 S ATOM 0 H CYS A 59 4.341 -10.075 -6.783 1.00 0.00 H new ATOM 0 HA CYS A 59 4.260 -12.844 -5.905 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.435 -11.710 -6.286 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.980 -10.466 -5.139 1.00 0.00 H new ATOM 0 HG CYS A 59 6.640 -13.747 -4.416 1.00 0.00 H new ATOM 998 N ALA A 60 3.143 -10.186 -4.268 1.00 0.00 N ATOM 999 CA ALA A 60 2.397 -9.823 -3.130 1.00 0.00 C ATOM 1000 C ALA A 60 1.496 -8.757 -3.455 1.00 0.00 C ATOM 1001 O ALA A 60 1.858 -7.843 -4.171 1.00 0.00 O ATOM 1002 CB ALA A 60 3.222 -9.316 -2.023 1.00 0.00 C ATOM 0 H ALA A 60 3.384 -9.410 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 60 1.889 -10.736 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.581 -9.056 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.931 -10.085 -1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.767 -8.431 -2.351 1.00 0.00 H new ATOM 1008 N ASN A 61 0.379 -8.876 -2.935 1.00 0.00 N ATOM 1009 CA ASN A 61 -0.615 -7.858 -2.935 1.00 0.00 C ATOM 1010 C ASN A 61 -0.777 -7.291 -1.569 1.00 0.00 C ATOM 1011 O ASN A 61 -1.259 -7.937 -0.654 1.00 0.00 O ATOM 1012 CB ASN A 61 -1.917 -8.376 -3.362 1.00 0.00 C ATOM 1013 CG ASN A 61 -3.030 -7.335 -3.327 1.00 0.00 C ATOM 1014 OD1 ASN A 61 -3.239 -6.620 -4.288 1.00 0.00 O ATOM 1015 ND2 ASN A 61 -3.756 -7.254 -2.221 1.00 0.00 N ATOM 0 H ASN A 61 0.082 -9.728 -2.459 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.281 -7.091 -3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.828 -8.767 -4.376 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.194 -9.213 -2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.516 -6.577 -2.158 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.554 -7.869 -1.432 1.00 0.00 H new ATOM 1022 N HIS A 62 -0.348 -6.143 -1.445 1.00 0.00 N ATOM 1023 CA HIS A 62 -0.512 -5.361 -0.251 1.00 0.00 C ATOM 1024 C HIS A 62 -1.439 -4.139 -0.485 1.00 0.00 C ATOM 1025 O HIS A 62 -1.163 -3.317 -1.307 1.00 0.00 O ATOM 1026 CB HIS A 62 0.882 -4.908 0.190 1.00 0.00 C ATOM 1027 CG HIS A 62 0.907 -3.829 1.200 1.00 0.00 C ATOM 1028 ND1 HIS A 62 0.480 -3.998 2.474 1.00 0.00 N ATOM 1029 CD2 HIS A 62 1.292 -2.545 1.100 1.00 0.00 C ATOM 1030 CE1 HIS A 62 0.590 -2.883 3.118 1.00 0.00 C ATOM 1031 NE2 HIS A 62 1.087 -1.977 2.314 1.00 0.00 N ATOM 0 H HIS A 62 0.159 -5.657 -2.184 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.989 -5.963 0.523 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.416 -5.770 0.590 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.432 -4.572 -0.689 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.689 -2.059 0.221 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.317 -2.724 4.151 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.286 -1.007 2.560 1.00 0.00 H new ATOM 1039 N TRP A 63 -2.493 -4.020 0.283 1.00 0.00 N ATOM 1040 CA TRP A 63 -3.341 -2.844 0.259 1.00 0.00 C ATOM 1041 C TRP A 63 -2.765 -1.802 1.194 1.00 0.00 C ATOM 1042 O TRP A 63 -2.209 -2.130 2.238 1.00 0.00 O ATOM 1043 CB TRP A 63 -4.774 -3.161 0.714 1.00 0.00 C ATOM 1044 CG TRP A 63 -5.527 -4.134 -0.153 1.00 0.00 C ATOM 1045 CD1 TRP A 63 -5.768 -4.032 -1.492 1.00 0.00 C ATOM 1046 CD2 TRP A 63 -6.188 -5.323 0.284 1.00 0.00 C ATOM 1047 NE1 TRP A 63 -6.510 -5.105 -1.923 1.00 0.00 N ATOM 1048 CE2 TRP A 63 -6.789 -5.907 -0.846 1.00 0.00 C ATOM 1049 CE3 TRP A 63 -6.323 -5.957 1.522 1.00 0.00 C ATOM 1050 CZ2 TRP A 63 -7.515 -7.089 -0.773 1.00 0.00 C ATOM 1051 CZ3 TRP A 63 -7.047 -7.131 1.591 1.00 0.00 C ATOM 1052 CH2 TRP A 63 -7.633 -7.684 0.452 1.00 0.00 C ATOM 0 H TRP A 63 -2.792 -4.735 0.946 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.377 -2.481 -0.768 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -4.735 -3.559 1.728 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -5.337 -2.229 0.759 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -5.425 -3.225 -2.122 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.804 -5.277 -2.884 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -5.870 -5.537 2.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -7.970 -7.522 -1.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -7.161 -7.629 2.542 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -8.193 -8.603 0.540 1.00 0.00 H new ATOM 1063 N ILE A 64 -2.896 -0.566 0.836 1.00 0.00 N ATOM 1064 CA ILE A 64 -2.380 0.489 1.596 1.00 0.00 C ATOM 1065 C ILE A 64 -3.551 1.140 2.335 1.00 0.00 C ATOM 1066 O ILE A 64 -4.430 1.738 1.731 1.00 0.00 O ATOM 1067 CB ILE A 64 -1.525 1.453 0.659 1.00 0.00 C ATOM 1068 CG1 ILE A 64 -1.098 2.779 1.326 1.00 0.00 C ATOM 1069 CG2 ILE A 64 -2.207 1.700 -0.693 1.00 0.00 C ATOM 1070 CD1 ILE A 64 -2.205 3.773 1.439 1.00 0.00 C ATOM 0 H ILE A 64 -3.378 -0.272 -0.014 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.675 0.163 2.361 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.599 0.908 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.708 2.567 2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.283 3.219 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.587 2.363 -1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.338 0.751 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.181 2.162 -0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.833 4.679 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.580 4.015 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.012 3.352 2.039 1.00 0.00 H new ATOM 1082 N THR A 65 -3.617 0.889 3.612 1.00 0.00 N ATOM 1083 CA THR A 65 -4.670 1.400 4.436 1.00 0.00 C ATOM 1084 C THR A 65 -4.189 1.777 5.817 1.00 0.00 C ATOM 1085 O THR A 65 -3.154 1.306 6.283 1.00 0.00 O ATOM 1086 CB THR A 65 -5.842 0.390 4.527 1.00 0.00 C ATOM 1087 OG1 THR A 65 -6.819 0.820 5.473 1.00 0.00 O ATOM 1088 CG2 THR A 65 -5.359 -1.011 4.877 1.00 0.00 C ATOM 0 H THR A 65 -2.935 0.319 4.112 1.00 0.00 H new ATOM 0 HA THR A 65 -5.028 2.312 3.958 1.00 0.00 H new ATOM 0 HB THR A 65 -6.302 0.351 3.539 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.463 0.098 5.629 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.212 -1.687 4.931 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.667 -1.360 4.110 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.851 -0.990 5.841 1.00 0.00 H new ATOM 1096 N THR A 66 -4.970 2.611 6.452 1.00 0.00 N ATOM 1097 CA THR A 66 -4.800 3.023 7.824 1.00 0.00 C ATOM 1098 C THR A 66 -5.263 1.903 8.775 1.00 0.00 C ATOM 1099 O THR A 66 -5.089 1.983 9.987 1.00 0.00 O ATOM 1100 CB THR A 66 -5.630 4.263 8.075 1.00 0.00 C ATOM 1101 OG1 THR A 66 -6.517 4.471 6.945 1.00 0.00 O ATOM 1102 CG2 THR A 66 -4.768 5.480 8.316 1.00 0.00 C ATOM 0 H THR A 66 -5.780 3.043 6.007 1.00 0.00 H new ATOM 0 HA THR A 66 -3.746 3.233 8.007 1.00 0.00 H new ATOM 0 HB THR A 66 -6.217 4.114 8.981 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.020 4.889 6.211 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.404 6.347 8.492 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.136 5.311 9.188 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.141 5.661 7.443 1.00 0.00 H new ATOM 1110 N THR A 67 -5.822 0.845 8.194 1.00 0.00 N ATOM 1111 CA THR A 67 -6.299 -0.317 8.928 1.00 0.00 C ATOM 1112 C THR A 67 -5.088 -1.227 9.220 1.00 0.00 C ATOM 1113 O THR A 67 -5.153 -2.215 9.959 1.00 0.00 O ATOM 1114 CB THR A 67 -7.340 -1.073 8.039 1.00 0.00 C ATOM 1115 OG1 THR A 67 -8.433 -0.195 7.710 1.00 0.00 O ATOM 1116 CG2 THR A 67 -7.877 -2.321 8.721 1.00 0.00 C ATOM 0 H THR A 67 -5.957 0.772 7.186 1.00 0.00 H new ATOM 0 HA THR A 67 -6.773 -0.026 9.865 1.00 0.00 H new ATOM 0 HB THR A 67 -6.826 -1.387 7.131 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.081 -0.674 7.152 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.596 -2.813 8.066 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.053 -3.003 8.932 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.367 -2.043 9.654 1.00 0.00 H new ATOM 1124 N MET A 68 -3.990 -0.827 8.681 1.00 0.00 N ATOM 1125 CA MET A 68 -2.804 -1.467 8.770 1.00 0.00 C ATOM 1126 C MET A 68 -1.802 -0.429 9.225 1.00 0.00 C ATOM 1127 O MET A 68 -2.070 0.772 9.201 1.00 0.00 O ATOM 1128 CB MET A 68 -2.532 -2.045 7.400 1.00 0.00 C ATOM 1129 CG MET A 68 -1.152 -2.575 7.120 1.00 0.00 C ATOM 1130 SD MET A 68 -0.009 -1.293 6.540 1.00 0.00 S ATOM 1131 CE MET A 68 -0.922 -0.627 5.155 1.00 0.00 C ATOM 0 H MET A 68 -3.936 0.030 8.130 1.00 0.00 H new ATOM 0 HA MET A 68 -2.766 -2.292 9.482 1.00 0.00 H new ATOM 0 HB2 MET A 68 -3.242 -2.855 7.232 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.750 -1.273 6.662 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.752 -3.029 8.027 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.216 -3.364 6.370 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.253 -0.503 4.304 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.727 -1.311 4.887 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.344 0.340 5.429 1.00 0.00 H new ATOM 1141 N ASN A 69 -0.715 -0.890 9.599 1.00 0.00 N ATOM 1142 CA ASN A 69 0.324 -0.136 10.239 1.00 0.00 C ATOM 1143 C ASN A 69 1.655 -0.533 9.664 1.00 0.00 C ATOM 1144 O ASN A 69 1.886 -1.712 9.383 1.00 0.00 O ATOM 1145 CB ASN A 69 0.281 -0.513 11.711 1.00 0.00 C ATOM 1146 CG ASN A 69 1.365 0.106 12.598 1.00 0.00 C ATOM 1147 OD1 ASN A 69 1.835 -0.536 13.547 1.00 0.00 O ATOM 1148 ND2 ASN A 69 1.716 1.349 12.370 1.00 0.00 N ATOM 0 H ASN A 69 -0.471 -1.873 9.475 1.00 0.00 H new ATOM 0 HA ASN A 69 0.187 0.936 10.095 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.693 -0.228 12.110 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.352 -1.598 11.789 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.391 1.809 12.981 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.314 1.856 11.581 1.00 0.00 H new ATOM 1155 N LEU A 70 2.492 0.446 9.454 1.00 0.00 N ATOM 1156 CA LEU A 70 3.765 0.267 9.034 1.00 0.00 C ATOM 1157 C LEU A 70 4.720 0.291 10.205 1.00 0.00 C ATOM 1158 O LEU A 70 4.590 1.084 11.143 1.00 0.00 O ATOM 1159 CB LEU A 70 4.101 1.218 7.900 1.00 0.00 C ATOM 1160 CG LEU A 70 3.845 2.716 7.995 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.546 3.283 9.160 1.00 0.00 C ATOM 1162 CD2 LEU A 70 4.430 3.288 6.759 1.00 0.00 C ATOM 0 H LEU A 70 2.245 1.426 9.593 1.00 0.00 H new ATOM 0 HA LEU A 70 3.878 -0.727 8.600 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.164 1.094 7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.561 0.863 7.023 1.00 0.00 H new ATOM 0 HG LEU A 70 2.782 2.934 8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.353 4.354 9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.186 2.803 10.070 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.618 3.112 9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.285 4.368 6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.496 3.065 6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.940 2.852 5.889 1.00 0.00 H new ATOM 1174 N LYS A 71 5.567 -0.616 10.195 1.00 0.00 N ATOM 1175 CA LYS A 71 6.533 -0.800 11.276 1.00 0.00 C ATOM 1176 C LYS A 71 7.920 -1.145 10.692 1.00 0.00 C ATOM 1177 O LYS A 71 8.007 -1.978 9.819 1.00 0.00 O ATOM 1178 CB LYS A 71 6.020 -1.908 12.206 1.00 0.00 C ATOM 1179 CG LYS A 71 6.605 -1.909 13.613 1.00 0.00 C ATOM 1180 CD LYS A 71 6.279 -0.599 14.335 1.00 0.00 C ATOM 1181 CE LYS A 71 6.676 -0.629 15.806 1.00 0.00 C ATOM 1182 NZ LYS A 71 5.852 -1.578 16.581 1.00 0.00 N ATOM 0 H LYS A 71 5.654 -1.296 9.440 1.00 0.00 H new ATOM 0 HA LYS A 71 6.642 0.120 11.851 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.936 -1.821 12.282 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.230 -2.872 11.744 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.205 -2.751 14.178 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.686 -2.043 13.563 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.795 0.223 13.839 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.210 -0.400 14.254 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.727 -0.906 15.893 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.574 0.370 16.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.009 -1.425 17.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.847 -1.427 16.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.118 -2.552 16.333 1.00 0.00 H new ATOM 1196 N PRO A 72 9.014 -0.497 11.127 1.00 0.00 N ATOM 1197 CA PRO A 72 10.345 -0.777 10.580 1.00 0.00 C ATOM 1198 C PRO A 72 10.987 -2.044 11.177 1.00 0.00 C ATOM 1199 O PRO A 72 10.890 -2.296 12.385 1.00 0.00 O ATOM 1200 CB PRO A 72 11.151 0.466 10.950 1.00 0.00 C ATOM 1201 CG PRO A 72 10.497 1.006 12.176 1.00 0.00 C ATOM 1202 CD PRO A 72 9.051 0.559 12.154 1.00 0.00 C ATOM 0 HA PRO A 72 10.306 -0.972 9.508 1.00 0.00 H new ATOM 0 HB2 PRO A 72 12.195 0.216 11.138 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.139 1.198 10.142 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.998 0.639 13.071 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.562 2.094 12.198 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.737 0.180 13.126 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.383 1.383 11.902 1.00 0.00 H new ATOM 1210 N LEU A 73 11.622 -2.828 10.325 1.00 0.00 N ATOM 1211 CA LEU A 73 12.285 -4.033 10.687 1.00 0.00 C ATOM 1212 C LEU A 73 13.723 -3.789 11.100 1.00 0.00 C ATOM 1213 O LEU A 73 14.220 -2.658 11.051 1.00 0.00 O ATOM 1214 CB LEU A 73 12.326 -4.972 9.486 1.00 0.00 C ATOM 1215 CG LEU A 73 12.383 -4.379 8.061 1.00 0.00 C ATOM 1216 CD1 LEU A 73 13.046 -5.370 7.118 1.00 0.00 C ATOM 1217 CD2 LEU A 73 10.983 -4.106 7.542 1.00 0.00 C ATOM 0 H LEU A 73 11.683 -2.621 9.328 1.00 0.00 H new ATOM 0 HA LEU A 73 11.731 -4.460 11.523 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.195 -5.619 9.606 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.444 -5.610 9.540 1.00 0.00 H new ATOM 0 HG LEU A 73 12.951 -3.450 8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.084 -4.947 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.059 -5.578 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.471 -6.296 7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.043 -3.688 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.417 -5.037 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.483 -3.396 8.201 1.00 0.00 H new ATOM 1229 N SER A 74 14.393 -4.865 11.489 1.00 0.00 N ATOM 1230 CA SER A 74 15.805 -4.836 11.715 1.00 0.00 C ATOM 1231 C SER A 74 16.493 -4.708 10.416 1.00 0.00 C ATOM 1232 O SER A 74 16.006 -5.210 9.393 1.00 0.00 O ATOM 1233 CB SER A 74 16.305 -6.124 12.301 1.00 0.00 C ATOM 1234 OG SER A 74 15.933 -6.300 13.653 1.00 0.00 O ATOM 0 H SER A 74 13.961 -5.774 11.653 1.00 0.00 H new ATOM 0 HA SER A 74 16.002 -4.006 12.394 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.920 -6.957 11.713 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.392 -6.154 12.223 1.00 0.00 H new ATOM 0 HG SER A 74 16.284 -7.154 13.980 1.00 0.00 H new ATOM 1240 N GLY A 75 17.583 -4.025 10.419 1.00 0.00 N ATOM 1241 CA GLY A 75 18.357 -3.973 9.248 1.00 0.00 C ATOM 1242 C GLY A 75 17.819 -2.977 8.238 1.00 0.00 C ATOM 1243 O GLY A 75 18.359 -2.817 7.149 1.00 0.00 O ATOM 0 H GLY A 75 17.949 -3.502 11.215 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.382 -3.706 9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.390 -4.963 8.794 1.00 0.00 H new ATOM 1247 N SER A 76 16.742 -2.333 8.604 1.00 0.00 N ATOM 1248 CA SER A 76 16.148 -1.289 7.835 1.00 0.00 C ATOM 1249 C SER A 76 16.897 -0.015 8.015 1.00 0.00 C ATOM 1250 O SER A 76 17.633 0.194 8.980 1.00 0.00 O ATOM 1251 CB SER A 76 14.708 -1.106 8.291 1.00 0.00 C ATOM 1252 OG SER A 76 14.079 -0.067 7.590 1.00 0.00 O ATOM 0 H SER A 76 16.245 -2.532 9.472 1.00 0.00 H new ATOM 0 HA SER A 76 16.178 -1.557 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 76 14.156 -2.034 8.142 1.00 0.00 H new ATOM 0 HB3 SER A 76 14.687 -0.891 9.359 1.00 0.00 H new ATOM 0 HG SER A 76 13.146 0.005 7.880 1.00 0.00 H new ATOM 1258 N ASP A 77 16.751 0.769 7.039 1.00 0.00 N ATOM 1259 CA ASP A 77 17.213 2.059 6.961 1.00 0.00 C ATOM 1260 C ASP A 77 15.988 2.890 6.959 1.00 0.00 C ATOM 1261 O ASP A 77 15.711 3.641 7.896 1.00 0.00 O ATOM 1262 CB ASP A 77 18.040 2.280 5.666 1.00 0.00 C ATOM 1263 CG ASP A 77 17.663 1.343 4.504 1.00 0.00 C ATOM 1264 OD1 ASP A 77 16.455 1.184 4.195 1.00 0.00 O ATOM 1265 OD2 ASP A 77 18.581 0.731 3.908 1.00 0.00 O ATOM 0 H ASP A 77 16.254 0.485 6.195 1.00 0.00 H new ATOM 0 HA ASP A 77 17.881 2.309 7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.913 3.312 5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.097 2.146 5.897 1.00 0.00 H new ATOM 1270 N ARG A 78 15.181 2.636 5.956 1.00 0.00 N ATOM 1271 CA ARG A 78 13.947 3.326 5.714 1.00 0.00 C ATOM 1272 C ARG A 78 12.937 2.402 5.017 1.00 0.00 C ATOM 1273 O ARG A 78 12.058 2.807 4.236 1.00 0.00 O ATOM 1274 CB ARG A 78 14.189 4.628 4.967 1.00 0.00 C ATOM 1275 CG ARG A 78 14.814 5.740 5.811 1.00 0.00 C ATOM 1276 CD ARG A 78 13.902 6.182 6.947 1.00 0.00 C ATOM 1277 NE ARG A 78 14.532 7.202 7.782 1.00 0.00 N ATOM 1278 CZ ARG A 78 13.906 7.973 8.687 1.00 0.00 C ATOM 1279 NH1 ARG A 78 12.577 7.960 8.789 1.00 0.00 N ATOM 1280 NH2 ARG A 78 14.610 8.778 9.464 1.00 0.00 N ATOM 0 H ARG A 78 15.378 1.914 5.263 1.00 0.00 H new ATOM 0 HA ARG A 78 13.502 3.604 6.669 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.839 4.427 4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.240 4.984 4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.762 5.392 6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.038 6.595 5.173 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.972 6.573 6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.641 5.320 7.561 1.00 0.00 H new ATOM 0 HE ARG A 78 15.536 7.341 7.668 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.024 7.360 8.176 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.113 8.550 9.480 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.626 8.813 9.376 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.138 9.365 10.152 1.00 0.00 H new ATOM 1294 N ALA A 79 12.989 1.203 5.420 1.00 0.00 N ATOM 1295 CA ALA A 79 12.120 0.172 4.973 1.00 0.00 C ATOM 1296 C ALA A 79 11.135 -0.145 6.127 1.00 0.00 C ATOM 1297 O ALA A 79 11.491 -0.065 7.294 1.00 0.00 O ATOM 1298 CB ALA A 79 12.951 -1.054 4.684 1.00 0.00 C ATOM 0 H ALA A 79 13.671 0.883 6.108 1.00 0.00 H new ATOM 0 HA ALA A 79 11.576 0.473 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.303 -1.860 4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.685 -0.822 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.466 -1.367 5.592 1.00 0.00 H new ATOM 1304 N TRP A 80 9.928 -0.497 5.805 1.00 0.00 N ATOM 1305 CA TRP A 80 8.902 -0.750 6.800 1.00 0.00 C ATOM 1306 C TRP A 80 8.192 -1.966 6.363 1.00 0.00 C ATOM 1307 O TRP A 80 8.291 -2.348 5.164 1.00 0.00 O ATOM 1308 CB TRP A 80 7.860 0.408 6.990 1.00 0.00 C ATOM 1309 CG TRP A 80 8.199 1.547 7.953 1.00 0.00 C ATOM 1310 CD1 TRP A 80 7.561 1.777 9.123 1.00 0.00 C ATOM 1311 CD2 TRP A 80 9.184 2.595 7.853 1.00 0.00 C ATOM 1312 NE1 TRP A 80 8.046 2.878 9.745 1.00 0.00 N ATOM 1313 CE2 TRP A 80 9.042 3.403 9.005 1.00 0.00 C ATOM 1314 CE3 TRP A 80 10.150 2.939 6.935 1.00 0.00 C ATOM 1315 CZ2 TRP A 80 9.828 4.517 9.245 1.00 0.00 C ATOM 1316 CZ3 TRP A 80 10.933 4.052 7.178 1.00 0.00 C ATOM 1317 CH2 TRP A 80 10.766 4.825 8.321 1.00 0.00 C ATOM 0 H TRP A 80 9.614 -0.621 4.842 1.00 0.00 H new ATOM 0 HA TRP A 80 9.395 -0.848 7.767 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.671 0.848 6.011 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.924 -0.040 7.324 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.765 1.160 9.513 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.710 3.251 10.633 1.00 0.00 H new ATOM 0 HE3 TRP A 80 10.294 2.350 6.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 9.697 5.116 10.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 11.693 4.328 6.462 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.397 5.688 8.474 1.00 0.00 H new ATOM 1328 N MET A 81 7.512 -2.562 7.269 1.00 0.00 N ATOM 1329 CA MET A 81 6.786 -3.689 7.035 1.00 0.00 C ATOM 1330 C MET A 81 5.432 -3.343 7.350 1.00 0.00 C ATOM 1331 O MET A 81 5.164 -2.399 8.111 1.00 0.00 O ATOM 1332 CB MET A 81 7.268 -4.935 7.803 1.00 0.00 C ATOM 1333 CG MET A 81 7.127 -4.981 9.333 1.00 0.00 C ATOM 1334 SD MET A 81 5.443 -5.343 9.896 1.00 0.00 S ATOM 1335 CE MET A 81 5.719 -5.622 11.644 1.00 0.00 C ATOM 0 H MET A 81 7.463 -2.237 8.235 1.00 0.00 H new ATOM 0 HA MET A 81 6.902 -3.994 5.995 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.733 -5.795 7.399 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.323 -5.076 7.568 1.00 0.00 H new ATOM 0 HG2 MET A 81 7.804 -5.738 9.729 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.442 -4.023 9.747 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.611 -6.684 11.864 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.725 -5.297 11.910 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.989 -5.055 12.223 1.00 0.00 H new ATOM 1345 N TRP A 82 4.621 -4.011 6.761 1.00 0.00 N ATOM 1346 CA TRP A 82 3.276 -3.773 6.798 1.00 0.00 C ATOM 1347 C TRP A 82 2.644 -5.090 7.011 1.00 0.00 C ATOM 1348 O TRP A 82 3.213 -6.107 6.610 1.00 0.00 O ATOM 1349 CB TRP A 82 2.794 -3.281 5.452 1.00 0.00 C ATOM 1350 CG TRP A 82 3.511 -2.108 4.898 1.00 0.00 C ATOM 1351 CD1 TRP A 82 3.543 -0.894 5.430 1.00 0.00 C ATOM 1352 CD2 TRP A 82 4.249 -2.042 3.677 1.00 0.00 C ATOM 1353 NE1 TRP A 82 4.287 -0.046 4.650 1.00 0.00 N ATOM 1354 CE2 TRP A 82 4.724 -0.728 3.558 1.00 0.00 C ATOM 1355 CE3 TRP A 82 4.559 -2.967 2.678 1.00 0.00 C ATOM 1356 CZ2 TRP A 82 5.489 -0.308 2.484 1.00 0.00 C ATOM 1357 CZ3 TRP A 82 5.316 -2.548 1.607 1.00 0.00 C ATOM 1358 CH2 TRP A 82 5.774 -1.226 1.518 1.00 0.00 C ATOM 0 H TRP A 82 4.876 -4.813 6.184 1.00 0.00 H new ATOM 0 HA TRP A 82 3.040 -3.037 7.566 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.872 -4.101 4.738 1.00 0.00 H new ATOM 0 HB3 TRP A 82 1.737 -3.030 5.536 1.00 0.00 H new ATOM 0 HD1 TRP A 82 3.052 -0.612 6.350 1.00 0.00 H new ATOM 0 HE1 TRP A 82 4.480 0.934 4.855 1.00 0.00 H new ATOM 0 HE3 TRP A 82 4.213 -3.988 2.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 5.847 0.709 2.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.561 -3.249 0.823 1.00 0.00 H new ATOM 0 HH2 TRP A 82 6.366 -0.928 0.665 1.00 0.00 H new ATOM 1369 N LEU A 83 1.532 -5.146 7.594 1.00 0.00 N ATOM 1370 CA LEU A 83 0.909 -6.408 7.578 1.00 0.00 C ATOM 1371 C LEU A 83 -0.160 -6.402 6.504 1.00 0.00 C ATOM 1372 O LEU A 83 -1.038 -5.542 6.475 1.00 0.00 O ATOM 1373 CB LEU A 83 0.410 -6.909 8.950 1.00 0.00 C ATOM 1374 CG LEU A 83 -0.582 -6.041 9.753 1.00 0.00 C ATOM 1375 CD1 LEU A 83 -1.133 -6.868 10.888 1.00 0.00 C ATOM 1376 CD2 LEU A 83 0.101 -4.808 10.346 1.00 0.00 C ATOM 0 H LEU A 83 1.044 -4.386 8.068 1.00 0.00 H new ATOM 0 HA LEU A 83 1.666 -7.152 7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.057 -7.882 8.794 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.286 -7.073 9.578 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.371 -5.710 9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.837 -6.269 11.466 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.645 -7.742 10.486 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.316 -7.191 11.533 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.628 -4.221 10.904 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.902 -5.122 11.015 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.517 -4.200 9.542 1.00 0.00 H new ATOM 1388 N ALA A 84 -0.088 -7.366 5.646 1.00 0.00 N ATOM 1389 CA ALA A 84 -0.883 -7.391 4.455 1.00 0.00 C ATOM 1390 C ALA A 84 -1.395 -8.741 4.184 1.00 0.00 C ATOM 1391 O ALA A 84 -0.751 -9.740 4.502 1.00 0.00 O ATOM 1392 CB ALA A 84 -0.039 -7.010 3.269 1.00 0.00 C ATOM 0 H ALA A 84 0.531 -8.170 5.750 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.708 -6.694 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.649 -7.031 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.360 -6.006 3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.785 -7.717 3.166 1.00 0.00 H new ATOM 1398 N SER A 85 -2.546 -8.785 3.639 1.00 0.00 N ATOM 1399 CA SER A 85 -3.061 -9.939 3.137 1.00 0.00 C ATOM 1400 C SER A 85 -2.731 -10.084 1.716 1.00 0.00 C ATOM 1401 O SER A 85 -3.296 -9.424 0.832 1.00 0.00 O ATOM 1402 CB SER A 85 -4.488 -9.987 3.400 1.00 0.00 C ATOM 1403 OG SER A 85 -4.929 -8.761 4.023 1.00 0.00 O ATOM 0 H SER A 85 -3.158 -7.975 3.539 1.00 0.00 H new ATOM 0 HA SER A 85 -2.608 -10.795 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.031 -10.144 2.468 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.716 -10.834 4.048 1.00 0.00 H new ATOM 0 HG SER A 85 -5.511 -8.271 3.405 1.00 0.00 H new ATOM 1409 N ASP A 86 -1.818 -10.952 1.507 1.00 0.00 N ATOM 1410 CA ASP A 86 -1.368 -11.232 0.210 1.00 0.00 C ATOM 1411 C ASP A 86 -1.856 -12.564 -0.229 1.00 0.00 C ATOM 1412 O ASP A 86 -1.579 -13.572 0.401 1.00 0.00 O ATOM 1413 CB ASP A 86 0.132 -11.077 -0.031 1.00 0.00 C ATOM 1414 CG ASP A 86 0.550 -11.833 -1.301 1.00 0.00 C ATOM 1415 OD1 ASP A 86 -0.002 -11.517 -2.411 1.00 0.00 O ATOM 1416 OD2 ASP A 86 1.411 -12.733 -1.219 1.00 0.00 O ATOM 0 H ASP A 86 -1.360 -11.491 2.242 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.805 -10.449 -0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.384 -10.021 -0.129 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.686 -11.459 0.826 1.00 0.00 H new ATOM 1421 N PHE A 87 -2.573 -12.573 -1.308 1.00 0.00 N ATOM 1422 CA PHE A 87 -3.198 -13.726 -1.758 1.00 0.00 C ATOM 1423 C PHE A 87 -3.139 -13.830 -3.232 1.00 0.00 C ATOM 1424 O PHE A 87 -3.881 -14.594 -3.853 1.00 0.00 O ATOM 1425 CB PHE A 87 -4.569 -13.652 -1.253 1.00 0.00 C ATOM 1426 CG PHE A 87 -5.397 -12.466 -1.698 1.00 0.00 C ATOM 1427 CD1 PHE A 87 -5.364 -11.274 -0.994 1.00 0.00 C ATOM 1428 CD2 PHE A 87 -6.202 -12.546 -2.822 1.00 0.00 C ATOM 1429 CE1 PHE A 87 -6.108 -10.197 -1.399 1.00 0.00 C ATOM 1430 CE2 PHE A 87 -6.948 -11.468 -3.231 1.00 0.00 C ATOM 1431 CZ PHE A 87 -6.901 -10.292 -2.520 1.00 0.00 C ATOM 0 H PHE A 87 -2.729 -11.753 -1.895 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.703 -14.627 -1.395 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.090 -14.561 -1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.530 -13.650 -0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.743 -11.192 -0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.244 -13.467 -3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.072 -9.274 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.571 -11.544 -4.110 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.486 -9.443 -2.841 1.00 0.00 H new ATOM 1441 N SER A 88 -2.198 -13.121 -3.768 1.00 0.00 N ATOM 1442 CA SER A 88 -1.972 -13.063 -5.191 1.00 0.00 C ATOM 1443 C SER A 88 -1.509 -14.405 -5.576 1.00 0.00 C ATOM 1444 O SER A 88 -1.852 -14.954 -6.630 1.00 0.00 O ATOM 1445 CB SER A 88 -0.885 -12.060 -5.486 1.00 0.00 C ATOM 1446 OG SER A 88 -1.114 -10.887 -4.760 1.00 0.00 O ATOM 0 H SER A 88 -1.548 -12.552 -3.225 1.00 0.00 H new ATOM 0 HA SER A 88 -2.871 -12.769 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.088 -12.477 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.861 -11.839 -6.553 1.00 0.00 H new ATOM 0 HG SER A 88 -0.666 -10.948 -3.890 1.00 0.00 H new ATOM 1452 N ASP A 89 -0.739 -14.949 -4.661 1.00 0.00 N ATOM 1453 CA ASP A 89 -0.222 -16.232 -4.775 1.00 0.00 C ATOM 1454 C ASP A 89 -0.004 -16.749 -3.368 1.00 0.00 C ATOM 1455 O ASP A 89 0.568 -17.815 -3.160 1.00 0.00 O ATOM 1456 CB ASP A 89 1.088 -16.177 -5.557 1.00 0.00 C ATOM 1457 CG ASP A 89 1.605 -17.527 -6.004 1.00 0.00 C ATOM 1458 OD1 ASP A 89 1.149 -18.022 -7.060 1.00 0.00 O ATOM 1459 OD2 ASP A 89 2.494 -18.098 -5.343 1.00 0.00 O ATOM 0 H ASP A 89 -0.466 -14.470 -3.803 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.899 -16.897 -5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.947 -15.546 -6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.847 -15.697 -4.939 1.00 0.00 H new ATOM 1464 N GLY A 90 -0.533 -16.016 -2.368 1.00 0.00 N ATOM 1465 CA GLY A 90 -0.246 -16.387 -1.054 1.00 0.00 C ATOM 1466 C GLY A 90 -1.433 -16.919 -0.409 1.00 0.00 C ATOM 1467 O GLY A 90 -1.356 -17.446 0.700 1.00 0.00 O ATOM 0 H GLY A 90 -1.135 -15.200 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 90 0.547 -17.135 -1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.123 -15.525 -0.498 1.00 0.00 H new ATOM 1471 N ASP A 91 -2.562 -16.786 -1.133 1.00 0.00 N ATOM 1472 CA ASP A 91 -3.891 -17.220 -0.652 1.00 0.00 C ATOM 1473 C ASP A 91 -4.325 -16.269 0.454 1.00 0.00 C ATOM 1474 O ASP A 91 -3.486 -15.566 0.982 1.00 0.00 O ATOM 1475 CB ASP A 91 -3.838 -18.674 -0.228 1.00 0.00 C ATOM 1476 CG ASP A 91 -5.047 -19.156 0.543 1.00 0.00 C ATOM 1477 OD1 ASP A 91 -6.187 -19.001 0.060 1.00 0.00 O ATOM 1478 OD2 ASP A 91 -4.892 -19.687 1.640 1.00 0.00 O ATOM 0 H ASP A 91 -2.580 -16.375 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.642 -17.173 -1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.722 -19.293 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.950 -18.827 0.385 1.00 0.00 H new ATOM 1483 N ALA A 92 -5.600 -16.163 0.790 1.00 0.00 N ATOM 1484 CA ALA A 92 -5.952 -15.048 1.662 1.00 0.00 C ATOM 1485 C ALA A 92 -5.521 -15.287 3.087 1.00 0.00 C ATOM 1486 O ALA A 92 -6.198 -15.952 3.884 1.00 0.00 O ATOM 1487 CB ALA A 92 -7.427 -14.733 1.579 1.00 0.00 C ATOM 0 H ALA A 92 -6.359 -16.781 0.502 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.404 -14.176 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.658 -13.898 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.685 -14.467 0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.003 -15.607 1.883 1.00 0.00 H new ATOM 1493 N LYS A 93 -4.369 -14.756 3.372 1.00 0.00 N ATOM 1494 CA LYS A 93 -3.769 -14.780 4.646 1.00 0.00 C ATOM 1495 C LYS A 93 -3.132 -13.442 4.904 1.00 0.00 C ATOM 1496 O LYS A 93 -2.774 -12.755 3.950 1.00 0.00 O ATOM 1497 CB LYS A 93 -2.715 -15.849 4.657 1.00 0.00 C ATOM 1498 CG LYS A 93 -3.003 -17.000 5.601 1.00 0.00 C ATOM 1499 CD LYS A 93 -1.873 -18.017 5.622 1.00 0.00 C ATOM 1500 CE LYS A 93 -0.561 -17.399 6.075 1.00 0.00 C ATOM 1501 NZ LYS A 93 -0.659 -16.808 7.430 1.00 0.00 N ATOM 0 H LYS A 93 -3.803 -14.272 2.675 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.512 -14.987 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.603 -16.243 3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.761 -15.399 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.160 -16.612 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -3.928 -17.492 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.136 -18.838 6.289 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.749 -18.442 4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.219 -18.161 6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.260 -16.628 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.284 -16.505 7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.296 -15.986 7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.034 -17.517 8.092 1.00 0.00 H new ATOM 1515 N LEU A 94 -2.967 -13.068 6.141 1.00 0.00 N ATOM 1516 CA LEU A 94 -2.236 -11.869 6.434 1.00 0.00 C ATOM 1517 C LEU A 94 -0.873 -12.236 6.968 1.00 0.00 C ATOM 1518 O LEU A 94 -0.733 -13.114 7.826 1.00 0.00 O ATOM 1519 CB LEU A 94 -2.982 -10.837 7.325 1.00 0.00 C ATOM 1520 CG LEU A 94 -3.321 -11.230 8.779 1.00 0.00 C ATOM 1521 CD1 LEU A 94 -3.674 -9.986 9.569 1.00 0.00 C ATOM 1522 CD2 LEU A 94 -4.504 -12.184 8.825 1.00 0.00 C ATOM 0 H LEU A 94 -3.324 -13.569 6.954 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.124 -11.329 5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.378 -9.930 7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.916 -10.580 6.824 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.449 -11.723 9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.913 -10.263 10.596 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.827 -9.301 9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.536 -9.499 9.114 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.721 -12.445 9.861 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.376 -11.704 8.381 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.264 -13.088 8.266 1.00 0.00 H new ATOM 1534 N GLU A 95 0.096 -11.583 6.442 1.00 0.00 N ATOM 1535 CA GLU A 95 1.433 -11.786 6.642 1.00 0.00 C ATOM 1536 C GLU A 95 2.010 -10.460 6.720 1.00 0.00 C ATOM 1537 O GLU A 95 1.393 -9.476 6.347 1.00 0.00 O ATOM 1538 CB GLU A 95 2.030 -12.556 5.466 1.00 0.00 C ATOM 1539 CG GLU A 95 1.676 -14.032 5.402 1.00 0.00 C ATOM 1540 CD GLU A 95 2.251 -14.799 6.558 1.00 0.00 C ATOM 1541 OE1 GLU A 95 3.474 -14.942 6.632 1.00 0.00 O ATOM 1542 OE2 GLU A 95 1.503 -15.298 7.400 1.00 0.00 O ATOM 0 H GLU A 95 -0.077 -10.815 5.794 1.00 0.00 H new ATOM 0 HA GLU A 95 1.630 -12.370 7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.703 -12.082 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.115 -12.462 5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.592 -14.145 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.046 -14.453 4.467 1.00 0.00 H new ATOM 1549 N GLN A 96 3.127 -10.423 7.189 1.00 0.00 N ATOM 1550 CA GLN A 96 3.782 -9.283 7.349 1.00 0.00 C ATOM 1551 C GLN A 96 4.703 -9.212 6.193 1.00 0.00 C ATOM 1552 O GLN A 96 5.470 -10.128 5.905 1.00 0.00 O ATOM 1553 CB GLN A 96 4.465 -9.176 8.704 1.00 0.00 C ATOM 1554 CG GLN A 96 3.490 -9.233 9.868 1.00 0.00 C ATOM 1555 CD GLN A 96 4.151 -9.062 11.212 1.00 0.00 C ATOM 1556 OE1 GLN A 96 5.315 -9.427 11.412 1.00 0.00 O ATOM 1557 NE2 GLN A 96 3.420 -8.528 12.152 1.00 0.00 N ATOM 0 H GLN A 96 3.643 -11.249 7.492 1.00 0.00 H new ATOM 0 HA GLN A 96 3.113 -8.422 7.362 1.00 0.00 H new ATOM 0 HB2 GLN A 96 5.189 -9.984 8.804 1.00 0.00 H new ATOM 0 HB3 GLN A 96 5.023 -8.241 8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.737 -8.455 9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.967 -10.189 9.848 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.463 -8.238 11.951 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.806 -8.400 13.088 1.00 0.00 H new ATOM 1566 N LEU A 97 4.510 -8.237 5.496 1.00 0.00 N ATOM 1567 CA LEU A 97 5.180 -7.992 4.270 1.00 0.00 C ATOM 1568 C LEU A 97 5.995 -6.738 4.442 1.00 0.00 C ATOM 1569 O LEU A 97 5.662 -5.910 5.239 1.00 0.00 O ATOM 1570 CB LEU A 97 4.122 -7.755 3.215 1.00 0.00 C ATOM 1571 CG LEU A 97 4.530 -7.918 1.770 1.00 0.00 C ATOM 1572 CD1 LEU A 97 4.810 -9.384 1.449 1.00 0.00 C ATOM 1573 CD2 LEU A 97 3.448 -7.368 0.881 1.00 0.00 C ATOM 0 H LEU A 97 3.841 -7.508 5.742 1.00 0.00 H new ATOM 0 HA LEU A 97 5.822 -8.825 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.294 -8.437 3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.739 -6.743 3.344 1.00 0.00 H new ATOM 0 HG LEU A 97 5.451 -7.362 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.102 -9.478 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.617 -9.748 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.911 -9.974 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.740 -7.485 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.519 -7.910 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.299 -6.311 1.100 1.00 0.00 H new ATOM 1585 N ALA A 98 7.025 -6.600 3.712 1.00 0.00 N ATOM 1586 CA ALA A 98 7.882 -5.460 3.842 1.00 0.00 C ATOM 1587 C ALA A 98 8.432 -5.093 2.505 1.00 0.00 C ATOM 1588 O ALA A 98 8.377 -5.891 1.574 1.00 0.00 O ATOM 1589 CB ALA A 98 9.017 -5.750 4.816 1.00 0.00 C ATOM 0 H ALA A 98 7.314 -7.269 2.998 1.00 0.00 H new ATOM 0 HA ALA A 98 7.301 -4.625 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.657 -4.872 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.603 -5.994 5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.604 -6.592 4.450 1.00 0.00 H new ATOM 1595 N ALA A 99 8.909 -3.890 2.381 1.00 0.00 N ATOM 1596 CA ALA A 99 9.541 -3.467 1.157 1.00 0.00 C ATOM 1597 C ALA A 99 10.560 -2.399 1.431 1.00 0.00 C ATOM 1598 O ALA A 99 10.318 -1.468 2.260 1.00 0.00 O ATOM 1599 CB ALA A 99 8.520 -2.975 0.139 1.00 0.00 C ATOM 0 H ALA A 99 8.875 -3.179 3.112 1.00 0.00 H new ATOM 0 HA ALA A 99 10.045 -4.335 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.034 -2.665 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.822 -3.779 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.972 -2.129 0.553 1.00 0.00 H new ATOM 1605 N LYS A 100 11.674 -2.476 0.766 1.00 0.00 N ATOM 1606 CA LYS A 100 12.635 -1.522 0.879 1.00 0.00 C ATOM 1607 C LYS A 100 12.975 -1.058 -0.446 1.00 0.00 C ATOM 1608 O LYS A 100 12.899 -1.775 -1.449 1.00 0.00 O ATOM 1609 CB LYS A 100 13.904 -1.912 1.623 1.00 0.00 C ATOM 1610 CG LYS A 100 14.892 -2.833 0.915 1.00 0.00 C ATOM 1611 CD LYS A 100 16.233 -2.904 1.679 1.00 0.00 C ATOM 1612 CE LYS A 100 16.870 -1.505 1.856 1.00 0.00 C ATOM 1613 NZ LYS A 100 18.193 -1.549 2.522 1.00 0.00 N ATOM 0 H LYS A 100 11.906 -3.236 0.127 1.00 0.00 H new ATOM 0 HA LYS A 100 12.193 -0.745 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.432 -0.996 1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 100 13.610 -2.391 2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.465 -3.832 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 100 15.066 -2.473 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 100 16.070 -3.355 2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 100 16.924 -3.552 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 100 16.977 -1.035 0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 100 16.197 -0.877 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 18.211 -0.864 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 18.363 -2.505 2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 18.936 -1.308 1.835 1.00 0.00 H new ATOM 1627 N PHE A 101 13.251 0.111 -0.451 1.00 0.00 N ATOM 1628 CA PHE A 101 13.682 0.787 -1.624 1.00 0.00 C ATOM 1629 C PHE A 101 15.195 0.811 -1.651 1.00 0.00 C ATOM 1630 O PHE A 101 15.821 0.422 -0.665 1.00 0.00 O ATOM 1631 CB PHE A 101 13.042 2.154 -1.699 1.00 0.00 C ATOM 1632 CG PHE A 101 11.578 2.079 -2.032 1.00 0.00 C ATOM 1633 CD1 PHE A 101 10.632 1.868 -1.045 1.00 0.00 C ATOM 1634 CD2 PHE A 101 11.153 2.205 -3.344 1.00 0.00 C ATOM 1635 CE1 PHE A 101 9.296 1.781 -1.360 1.00 0.00 C ATOM 1636 CE2 PHE A 101 9.815 2.122 -3.664 1.00 0.00 C ATOM 1637 CZ PHE A 101 8.888 1.910 -2.672 1.00 0.00 C ATOM 0 H PHE A 101 13.199 0.706 0.376 1.00 0.00 H new ATOM 0 HA PHE A 101 13.359 0.260 -2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 101 13.170 2.666 -0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.554 2.752 -2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 101 10.946 1.771 -0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.879 2.370 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.567 1.612 -0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.496 2.223 -4.691 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.839 1.844 -2.919 1.00 0.00 H new ATOM 1647 N LYS A 102 15.780 1.223 -2.767 1.00 0.00 N ATOM 1648 CA LYS A 102 17.239 1.174 -2.931 1.00 0.00 C ATOM 1649 C LYS A 102 17.961 2.010 -1.889 1.00 0.00 C ATOM 1650 O LYS A 102 18.908 1.553 -1.244 1.00 0.00 O ATOM 1651 CB LYS A 102 17.694 1.638 -4.327 1.00 0.00 C ATOM 1652 CG LYS A 102 17.253 0.786 -5.515 1.00 0.00 C ATOM 1653 CD LYS A 102 15.845 1.077 -6.009 1.00 0.00 C ATOM 1654 CE LYS A 102 15.595 0.275 -7.271 1.00 0.00 C ATOM 1655 NZ LYS A 102 14.324 0.601 -7.949 1.00 0.00 N ATOM 0 H LYS A 102 15.276 1.594 -3.572 1.00 0.00 H new ATOM 0 HA LYS A 102 17.503 0.124 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.329 2.653 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.783 1.687 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.952 0.941 -6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.317 -0.266 -5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.115 0.814 -5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.728 2.142 -6.209 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.418 0.443 -7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.600 -0.786 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.437 0.479 -8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.575 -0.033 -7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.064 1.587 -7.744 1.00 0.00 H new ATOM 1669 N THR A 103 17.498 3.201 -1.720 1.00 0.00 N ATOM 1670 CA THR A 103 18.117 4.154 -0.860 1.00 0.00 C ATOM 1671 C THR A 103 17.079 4.636 0.122 1.00 0.00 C ATOM 1672 O THR A 103 15.874 4.516 -0.166 1.00 0.00 O ATOM 1673 CB THR A 103 18.557 5.362 -1.708 1.00 0.00 C ATOM 1674 OG1 THR A 103 17.396 5.872 -2.391 1.00 0.00 O ATOM 1675 CG2 THR A 103 19.602 4.965 -2.744 1.00 0.00 C ATOM 0 H THR A 103 16.660 3.548 -2.186 1.00 0.00 H new ATOM 0 HA THR A 103 18.970 3.710 -0.347 1.00 0.00 H new ATOM 0 HB THR A 103 18.998 6.113 -1.052 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.679 6.452 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 103 19.890 5.841 -3.325 1.00 0.00 H new ATOM 0 HG22 THR A 103 20.479 4.560 -2.239 1.00 0.00 H new ATOM 0 HG23 THR A 103 19.185 4.209 -3.410 1.00 0.00 H new ATOM 1683 N PRO A 104 17.478 5.209 1.285 1.00 0.00 N ATOM 1684 CA PRO A 104 16.538 5.828 2.216 1.00 0.00 C ATOM 1685 C PRO A 104 15.836 7.024 1.625 1.00 0.00 C ATOM 1686 O PRO A 104 15.086 7.618 2.236 1.00 0.00 O ATOM 1687 CB PRO A 104 17.388 6.289 3.376 1.00 0.00 C ATOM 1688 CG PRO A 104 18.594 5.427 3.310 1.00 0.00 C ATOM 1689 CD PRO A 104 18.849 5.224 1.837 1.00 0.00 C ATOM 0 HA PRO A 104 15.758 5.118 2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.647 7.344 3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.865 6.170 4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 104 19.446 5.902 3.796 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.428 4.476 3.816 1.00 0.00 H new ATOM 0 HD2 PRO A 104 19.450 6.028 1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 104 19.378 4.292 1.640 1.00 0.00 H new ATOM 1697 N GLU A 105 16.188 7.394 0.488 1.00 0.00 N ATOM 1698 CA GLU A 105 15.528 8.443 -0.246 1.00 0.00 C ATOM 1699 C GLU A 105 14.193 7.920 -0.684 1.00 0.00 C ATOM 1700 O GLU A 105 13.140 8.416 -0.302 1.00 0.00 O ATOM 1701 CB GLU A 105 16.376 8.802 -1.454 1.00 0.00 C ATOM 1702 CG GLU A 105 15.776 9.805 -2.413 1.00 0.00 C ATOM 1703 CD GLU A 105 16.638 9.944 -3.634 1.00 0.00 C ATOM 1704 OE1 GLU A 105 17.659 10.657 -3.574 1.00 0.00 O ATOM 1705 OE2 GLU A 105 16.337 9.309 -4.676 1.00 0.00 O ATOM 0 H GLU A 105 16.975 6.980 -0.012 1.00 0.00 H new ATOM 0 HA GLU A 105 15.394 9.335 0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 105 17.329 9.194 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.593 7.887 -2.005 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.774 9.487 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.674 10.772 -1.921 1.00 0.00 H new ATOM 1712 N LEU A 106 14.288 6.805 -1.374 1.00 0.00 N ATOM 1713 CA LEU A 106 13.184 6.163 -2.002 1.00 0.00 C ATOM 1714 C LEU A 106 12.380 5.516 -0.947 1.00 0.00 C ATOM 1715 O LEU A 106 11.151 5.575 -0.926 1.00 0.00 O ATOM 1716 CB LEU A 106 13.723 5.163 -3.021 1.00 0.00 C ATOM 1717 CG LEU A 106 14.516 5.760 -4.189 1.00 0.00 C ATOM 1718 CD1 LEU A 106 15.085 4.659 -5.055 1.00 0.00 C ATOM 1719 CD2 LEU A 106 13.642 6.691 -5.024 1.00 0.00 C ATOM 0 H LEU A 106 15.172 6.314 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 106 12.545 6.866 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.362 4.451 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.883 4.599 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 106 15.338 6.345 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 106 15.645 5.098 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.748 4.033 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.272 4.051 -5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.229 7.101 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.796 6.133 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.276 7.505 -4.398 1.00 0.00 H new ATOM 1731 N ALA A 107 13.106 4.950 -0.029 1.00 0.00 N ATOM 1732 CA ALA A 107 12.565 4.306 1.094 1.00 0.00 C ATOM 1733 C ALA A 107 11.943 5.328 2.027 1.00 0.00 C ATOM 1734 O ALA A 107 10.801 5.152 2.422 1.00 0.00 O ATOM 1735 CB ALA A 107 13.671 3.523 1.773 1.00 0.00 C ATOM 0 H ALA A 107 14.125 4.933 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 107 11.775 3.616 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.271 3.014 2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 107 14.074 2.786 1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.464 4.205 2.080 1.00 0.00 H new ATOM 1741 N GLU A 108 12.643 6.434 2.333 1.00 0.00 N ATOM 1742 CA GLU A 108 12.069 7.361 3.343 1.00 0.00 C ATOM 1743 C GLU A 108 10.868 8.105 2.811 1.00 0.00 C ATOM 1744 O GLU A 108 9.811 8.131 3.457 1.00 0.00 O ATOM 1745 CB GLU A 108 13.097 8.329 3.925 1.00 0.00 C ATOM 1746 CG GLU A 108 12.624 9.132 5.115 1.00 0.00 C ATOM 1747 CD GLU A 108 13.655 10.121 5.569 1.00 0.00 C ATOM 1748 OE1 GLU A 108 14.800 9.724 5.859 1.00 0.00 O ATOM 1749 OE2 GLU A 108 13.356 11.327 5.599 1.00 0.00 O ATOM 0 H GLU A 108 13.542 6.703 1.934 1.00 0.00 H new ATOM 0 HA GLU A 108 11.736 6.726 4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 108 13.981 7.762 4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.406 9.020 3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.706 9.659 4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.383 8.457 5.936 1.00 0.00 H new ATOM 1756 N GLU A 109 11.008 8.674 1.640 1.00 0.00 N ATOM 1757 CA GLU A 109 9.932 9.435 1.025 1.00 0.00 C ATOM 1758 C GLU A 109 8.684 8.629 0.842 1.00 0.00 C ATOM 1759 O GLU A 109 7.583 9.113 1.144 1.00 0.00 O ATOM 1760 CB GLU A 109 10.351 10.081 -0.287 1.00 0.00 C ATOM 1761 CG GLU A 109 11.035 11.408 -0.098 1.00 0.00 C ATOM 1762 CD GLU A 109 10.127 12.379 0.618 1.00 0.00 C ATOM 1763 OE1 GLU A 109 9.031 12.680 0.100 1.00 0.00 O ATOM 1764 OE2 GLU A 109 10.469 12.825 1.728 1.00 0.00 O ATOM 0 H GLU A 109 11.862 8.628 1.084 1.00 0.00 H new ATOM 0 HA GLU A 109 9.704 10.234 1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.021 9.406 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 109 9.471 10.219 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.953 11.271 0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.321 11.817 -1.067 1.00 0.00 H new ATOM 1771 N PHE A 110 8.843 7.401 0.403 1.00 0.00 N ATOM 1772 CA PHE A 110 7.707 6.554 0.161 1.00 0.00 C ATOM 1773 C PHE A 110 6.957 6.283 1.445 1.00 0.00 C ATOM 1774 O PHE A 110 5.770 6.414 1.488 1.00 0.00 O ATOM 1775 CB PHE A 110 8.146 5.236 -0.429 1.00 0.00 C ATOM 1776 CG PHE A 110 7.032 4.444 -1.062 1.00 0.00 C ATOM 1777 CD1 PHE A 110 6.644 4.708 -2.364 1.00 0.00 C ATOM 1778 CD2 PHE A 110 6.388 3.431 -0.365 1.00 0.00 C ATOM 1779 CE1 PHE A 110 5.635 3.981 -2.961 1.00 0.00 C ATOM 1780 CE2 PHE A 110 5.379 2.702 -0.957 1.00 0.00 C ATOM 1781 CZ PHE A 110 5.002 2.976 -2.258 1.00 0.00 C ATOM 0 H PHE A 110 9.747 6.971 0.208 1.00 0.00 H new ATOM 0 HA PHE A 110 7.053 7.072 -0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 110 8.915 5.424 -1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 110 8.605 4.634 0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 110 7.137 5.492 -2.919 1.00 0.00 H new ATOM 0 HD2 PHE A 110 6.680 3.212 0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.341 4.198 -3.977 1.00 0.00 H new ATOM 0 HE2 PHE A 110 4.883 1.917 -0.405 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.213 2.404 -2.724 1.00 0.00 H new ATOM 1791 N LYS A 111 7.679 5.945 2.491 1.00 0.00 N ATOM 1792 CA LYS A 111 7.047 5.511 3.757 1.00 0.00 C ATOM 1793 C LYS A 111 6.301 6.620 4.498 1.00 0.00 C ATOM 1794 O LYS A 111 5.236 6.385 5.062 1.00 0.00 O ATOM 1795 CB LYS A 111 8.041 4.807 4.648 1.00 0.00 C ATOM 1796 CG LYS A 111 8.761 3.694 3.922 1.00 0.00 C ATOM 1797 CD LYS A 111 7.839 2.601 3.426 1.00 0.00 C ATOM 1798 CE LYS A 111 8.587 1.683 2.477 1.00 0.00 C ATOM 1799 NZ LYS A 111 9.851 1.206 3.063 1.00 0.00 N ATOM 0 H LYS A 111 8.699 5.956 2.509 1.00 0.00 H new ATOM 0 HA LYS A 111 6.274 4.797 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 111 8.769 5.528 5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 111 7.524 4.399 5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 111 9.302 4.114 3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 111 9.504 3.257 4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 111 7.453 2.029 4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 111 6.980 3.041 2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 111 7.958 0.829 2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 111 8.794 2.212 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 10.024 0.225 2.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 10.634 1.809 2.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 9.790 1.247 4.100 1.00 0.00 H new ATOM 1813 N GLN A 112 6.863 7.801 4.512 1.00 0.00 N ATOM 1814 CA GLN A 112 6.210 8.968 5.132 1.00 0.00 C ATOM 1815 C GLN A 112 4.916 9.258 4.405 1.00 0.00 C ATOM 1816 O GLN A 112 3.852 9.471 4.998 1.00 0.00 O ATOM 1817 CB GLN A 112 7.065 10.158 4.907 1.00 0.00 C ATOM 1818 CG GLN A 112 8.455 10.085 5.494 1.00 0.00 C ATOM 1819 CD GLN A 112 9.276 11.281 5.096 1.00 0.00 C ATOM 1820 OE1 GLN A 112 9.296 12.300 5.785 1.00 0.00 O ATOM 1821 NE2 GLN A 112 9.965 11.164 4.002 1.00 0.00 N ATOM 0 H GLN A 112 7.776 8.000 4.104 1.00 0.00 H new ATOM 0 HA GLN A 112 6.045 8.764 6.190 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.152 10.322 3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 112 6.560 11.030 5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 112 8.391 10.029 6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 112 8.948 9.173 5.156 1.00 0.00 H new ATOM 0 HE21 GLN A 112 9.919 10.301 3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 112 10.552 11.935 3.684 1.00 0.00 H new ATOM 1830 N LYS A 113 5.036 9.266 3.099 1.00 0.00 N ATOM 1831 CA LYS A 113 3.946 9.557 2.212 1.00 0.00 C ATOM 1832 C LYS A 113 2.963 8.432 2.284 1.00 0.00 C ATOM 1833 O LYS A 113 1.782 8.609 2.076 1.00 0.00 O ATOM 1834 CB LYS A 113 4.508 9.657 0.821 1.00 0.00 C ATOM 1835 CG LYS A 113 3.730 10.566 -0.120 1.00 0.00 C ATOM 1836 CD LYS A 113 4.481 10.847 -1.437 1.00 0.00 C ATOM 1837 CE LYS A 113 5.660 11.855 -1.289 1.00 0.00 C ATOM 1838 NZ LYS A 113 6.797 11.356 -0.472 1.00 0.00 N ATOM 0 H LYS A 113 5.913 9.066 2.618 1.00 0.00 H new ATOM 0 HA LYS A 113 3.447 10.488 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.535 10.017 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 113 4.547 8.658 0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.767 10.108 -0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 113 3.523 11.510 0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 113 4.867 9.907 -1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 113 3.775 11.235 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.028 12.113 -2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 113 5.282 12.774 -0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.665 11.862 -0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 6.598 11.519 0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 6.924 10.338 -0.640 1.00 0.00 H new ATOM 1852 N PHE A 114 3.488 7.288 2.610 1.00 0.00 N ATOM 1853 CA PHE A 114 2.703 6.047 2.723 1.00 0.00 C ATOM 1854 C PHE A 114 1.679 6.149 3.840 1.00 0.00 C ATOM 1855 O PHE A 114 0.498 5.906 3.609 1.00 0.00 O ATOM 1856 CB PHE A 114 3.609 4.818 2.967 1.00 0.00 C ATOM 1857 CG PHE A 114 2.886 3.497 3.024 1.00 0.00 C ATOM 1858 CD1 PHE A 114 2.199 3.104 4.161 1.00 0.00 C ATOM 1859 CD2 PHE A 114 2.888 2.659 1.941 1.00 0.00 C ATOM 1860 CE1 PHE A 114 1.536 1.914 4.208 1.00 0.00 C ATOM 1861 CE2 PHE A 114 2.221 1.457 1.985 1.00 0.00 C ATOM 1862 CZ PHE A 114 1.545 1.089 3.118 1.00 0.00 C ATOM 0 H PHE A 114 4.480 7.166 2.811 1.00 0.00 H new ATOM 0 HA PHE A 114 2.186 5.913 1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.356 4.773 2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 114 4.147 4.962 3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 114 2.189 3.752 5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 114 3.418 2.944 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 114 1.006 1.624 5.103 1.00 0.00 H new ATOM 0 HE2 PHE A 114 2.230 0.803 1.126 1.00 0.00 H new ATOM 0 HZ PHE A 114 1.019 0.146 3.150 1.00 0.00 H new ATOM 1872 N GLU A 115 2.121 6.506 5.050 1.00 0.00 N ATOM 1873 CA GLU A 115 1.189 6.651 6.156 1.00 0.00 C ATOM 1874 C GLU A 115 0.208 7.786 5.853 1.00 0.00 C ATOM 1875 O GLU A 115 -0.960 7.706 6.209 1.00 0.00 O ATOM 1876 CB GLU A 115 1.899 6.879 7.506 1.00 0.00 C ATOM 1877 CG GLU A 115 2.811 8.088 7.574 1.00 0.00 C ATOM 1878 CD GLU A 115 3.167 8.439 8.988 1.00 0.00 C ATOM 1879 OE1 GLU A 115 2.324 9.044 9.682 1.00 0.00 O ATOM 1880 OE2 GLU A 115 4.294 8.129 9.442 1.00 0.00 O ATOM 0 H GLU A 115 3.097 6.695 5.279 1.00 0.00 H new ATOM 0 HA GLU A 115 0.642 5.713 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 115 1.140 6.975 8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.485 5.991 7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.721 7.889 7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 115 2.322 8.939 7.100 1.00 0.00 H new ATOM 1887 N GLU A 116 0.685 8.830 5.144 1.00 0.00 N ATOM 1888 CA GLU A 116 -0.170 9.919 4.735 1.00 0.00 C ATOM 1889 C GLU A 116 -1.282 9.381 3.848 1.00 0.00 C ATOM 1890 O GLU A 116 -2.459 9.632 4.087 1.00 0.00 O ATOM 1891 CB GLU A 116 0.592 11.016 3.989 1.00 0.00 C ATOM 1892 CG GLU A 116 -0.252 12.264 3.725 1.00 0.00 C ATOM 1893 CD GLU A 116 -0.524 13.046 4.999 1.00 0.00 C ATOM 1894 OE1 GLU A 116 -1.217 12.537 5.903 1.00 0.00 O ATOM 1895 OE2 GLU A 116 0.009 14.169 5.137 1.00 0.00 O ATOM 0 H GLU A 116 1.658 8.925 4.853 1.00 0.00 H new ATOM 0 HA GLU A 116 -0.582 10.368 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 116 1.472 11.296 4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.949 10.619 3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 116 0.262 12.905 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.198 11.972 3.269 1.00 0.00 H new ATOM 1902 N CYS A 117 -0.889 8.586 2.860 1.00 0.00 N ATOM 1903 CA CYS A 117 -1.743 7.948 1.970 1.00 0.00 C ATOM 1904 C CYS A 117 -2.713 7.044 2.691 1.00 0.00 C ATOM 1905 O CYS A 117 -3.841 6.903 2.268 1.00 0.00 O ATOM 1906 CB CYS A 117 -0.929 7.214 0.984 1.00 0.00 C ATOM 1907 SG CYS A 117 -0.019 8.260 -0.171 1.00 0.00 S ATOM 0 H CYS A 117 0.095 8.383 2.681 1.00 0.00 H new ATOM 0 HA CYS A 117 -2.351 8.687 1.448 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -0.219 6.582 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -1.582 6.551 0.416 1.00 0.00 H new ATOM 0 HG CYS A 117 0.999 8.793 0.436 1.00 0.00 H new ATOM 1913 N GLN A 118 -2.272 6.440 3.789 1.00 0.00 N ATOM 1914 CA GLN A 118 -3.141 5.595 4.578 1.00 0.00 C ATOM 1915 C GLN A 118 -4.372 6.373 4.995 1.00 0.00 C ATOM 1916 O GLN A 118 -5.468 5.877 4.886 1.00 0.00 O ATOM 1917 CB GLN A 118 -2.443 5.106 5.840 1.00 0.00 C ATOM 1918 CG GLN A 118 -1.374 4.069 5.649 1.00 0.00 C ATOM 1919 CD GLN A 118 -0.695 3.692 6.960 1.00 0.00 C ATOM 1920 OE1 GLN A 118 -0.563 4.505 7.870 1.00 0.00 O ATOM 1921 NE2 GLN A 118 -0.297 2.459 7.085 1.00 0.00 N ATOM 0 H GLN A 118 -1.320 6.523 4.147 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.413 4.738 3.962 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -1.999 5.966 6.341 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.198 4.699 6.513 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -1.811 3.178 5.199 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.627 4.445 4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.418 1.803 6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.136 2.149 7.955 1.00 0.00 H new ATOM 1930 N ARG A 119 -4.183 7.574 5.529 1.00 0.00 N ATOM 1931 CA ARG A 119 -5.339 8.419 5.869 1.00 0.00 C ATOM 1932 C ARG A 119 -6.031 8.990 4.653 1.00 0.00 C ATOM 1933 O ARG A 119 -7.259 8.981 4.508 1.00 0.00 O ATOM 1934 CB ARG A 119 -4.997 9.584 6.824 1.00 0.00 C ATOM 1935 CG ARG A 119 -4.535 9.224 8.226 1.00 0.00 C ATOM 1936 CD ARG A 119 -3.075 8.815 8.282 1.00 0.00 C ATOM 1937 NE ARG A 119 -2.167 9.919 7.891 1.00 0.00 N ATOM 1938 CZ ARG A 119 -0.881 10.046 8.301 1.00 0.00 C ATOM 1939 NH1 ARG A 119 -0.330 9.127 9.098 1.00 0.00 N ATOM 1940 NH2 ARG A 119 -0.156 11.076 7.876 1.00 0.00 N ATOM 0 H ARG A 119 -3.271 7.983 5.734 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.014 7.733 6.382 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.218 10.186 6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -5.879 10.218 6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.693 10.078 8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.150 8.409 8.607 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -2.830 8.487 9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -2.913 7.963 7.622 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.537 10.636 7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -0.877 8.322 9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.638 9.230 9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.568 11.764 7.246 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.812 11.178 8.180 1.00 0.00 H new ATOM 1954 N LEU A 120 -5.225 9.502 3.849 1.00 0.00 N ATOM 1955 CA LEU A 120 -5.597 10.310 2.727 1.00 0.00 C ATOM 1956 C LEU A 120 -6.159 9.636 1.499 1.00 0.00 C ATOM 1957 O LEU A 120 -7.268 9.978 1.113 1.00 0.00 O ATOM 1958 CB LEU A 120 -4.539 11.398 2.402 1.00 0.00 C ATOM 1959 CG LEU A 120 -4.618 12.715 3.203 1.00 0.00 C ATOM 1960 CD1 LEU A 120 -4.349 12.505 4.682 1.00 0.00 C ATOM 1961 CD2 LEU A 120 -3.670 13.755 2.625 1.00 0.00 C ATOM 0 H LEU A 120 -4.216 9.379 3.934 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.495 10.799 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.550 10.966 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.618 11.641 1.342 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.639 13.084 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.416 13.460 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.087 11.816 5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.351 12.088 4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.742 14.675 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.648 13.379 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.940 13.957 1.588 1.00 0.00 H new ATOM 1973 N LEU A 121 -5.515 8.561 1.018 1.00 0.00 N ATOM 1974 CA LEU A 121 -5.787 7.946 -0.339 1.00 0.00 C ATOM 1975 C LEU A 121 -7.212 7.459 -0.441 1.00 0.00 C ATOM 1976 O LEU A 121 -7.802 7.328 -1.514 1.00 0.00 O ATOM 1977 CB LEU A 121 -4.783 6.808 -0.627 1.00 0.00 C ATOM 1978 CG LEU A 121 -4.870 6.114 -1.994 1.00 0.00 C ATOM 1979 CD1 LEU A 121 -4.665 7.106 -3.120 1.00 0.00 C ATOM 1980 CD2 LEU A 121 -3.840 5.003 -2.086 1.00 0.00 C ATOM 0 H LEU A 121 -4.786 8.076 1.541 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.652 8.717 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.777 7.212 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.906 6.048 0.144 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.867 5.685 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.731 6.589 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.434 7.877 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.682 7.567 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.913 4.519 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.841 5.422 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -4.025 4.269 -1.302 1.00 0.00 H new ATOM 1992 N LEU A 122 -7.717 7.250 0.684 1.00 0.00 N ATOM 1993 CA LEU A 122 -9.032 6.789 0.949 1.00 0.00 C ATOM 1994 C LEU A 122 -10.134 7.757 0.538 1.00 0.00 C ATOM 1995 O LEU A 122 -11.148 7.367 -0.048 1.00 0.00 O ATOM 1996 CB LEU A 122 -9.072 6.874 2.402 1.00 0.00 C ATOM 1997 CG LEU A 122 -8.239 5.861 3.208 1.00 0.00 C ATOM 1998 CD1 LEU A 122 -8.584 5.958 4.681 1.00 0.00 C ATOM 1999 CD2 LEU A 122 -8.454 4.432 2.712 1.00 0.00 C ATOM 0 H LEU A 122 -7.186 7.406 1.541 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.197 5.837 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.748 7.875 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -10.112 6.775 2.714 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.187 6.108 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.989 5.237 5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -8.368 6.964 5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -9.643 5.742 4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -7.849 3.746 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -9.507 4.167 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -8.160 4.362 1.665 1.00 0.00 H new