USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 803 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 58 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.2) USER MOD Set 1.2: A 65 THR OG1 : rot 170:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 173:sc= 0 (180deg=-0.033) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -50:sc= 0.555 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.5!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= -7.23! C(o=-7.2!,f=-7.3!) USER MOD Single : A 35 HIS : no HD1:sc= -0.0677 K(o=-0.068,f=-1.1) USER MOD Single : A 36 THR OG1 : rot 107:sc= 0.572 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 136:sc= 1.1 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 3:sc= 0.558 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -170:sc= -0.356 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.91) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.516 X(o=-0.52,f=-0.52) USER MOD Single : A 73 ASN : amide:sc= -0.0638 K(o=-0.064,f=-0.65) USER MOD Single : A 74 THR OG1 : rot 103:sc= 0 USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.484 K(o=0.48,f=-3.8!) USER MOD Single : A 92 SER OG : rot 180:sc= 0.124 USER MOD Single : A 94 SER OG : rot 32:sc= 0.213 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 130:sc= 1.97 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -0.165 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.942 6.168 -10.426 1.00 0.00 N ATOM 2 CA GLY A 1 20.410 4.989 -9.721 1.00 0.00 C ATOM 3 C GLY A 1 19.894 4.922 -8.297 1.00 0.00 C ATOM 4 O GLY A 1 20.628 4.553 -7.380 1.00 0.00 O ATOM 0 H1 GLY A 1 20.414 6.230 -11.351 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.914 6.103 -10.566 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.162 7.017 -9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.093 4.097 -10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.500 4.985 -9.710 1.00 0.00 H new ATOM 8 N SER A 2 18.628 5.281 -8.110 1.00 0.00 N ATOM 9 CA SER A 2 18.017 5.266 -6.787 1.00 0.00 C ATOM 10 C SER A 2 16.625 4.642 -6.838 1.00 0.00 C ATOM 11 O SER A 2 16.055 4.459 -7.914 1.00 0.00 O ATOM 12 CB SER A 2 17.931 6.686 -6.225 1.00 0.00 C ATOM 13 OG SER A 2 19.219 7.262 -6.095 1.00 0.00 O ATOM 0 H SER A 2 18.006 5.586 -8.858 1.00 0.00 H new ATOM 0 HA SER A 2 18.644 4.661 -6.132 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.318 7.304 -6.881 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.438 6.667 -5.253 1.00 0.00 H new ATOM 0 HG SER A 2 19.137 8.170 -5.735 1.00 0.00 H new ATOM 19 N SER A 3 16.085 4.319 -5.668 1.00 0.00 N ATOM 20 CA SER A 3 14.762 3.712 -5.578 1.00 0.00 C ATOM 21 C SER A 3 13.909 4.420 -4.530 1.00 0.00 C ATOM 22 O SER A 3 13.215 3.779 -3.742 1.00 0.00 O ATOM 23 CB SER A 3 14.881 2.226 -5.236 1.00 0.00 C ATOM 24 OG SER A 3 13.616 1.589 -5.278 1.00 0.00 O ATOM 0 H SER A 3 16.543 4.467 -4.769 1.00 0.00 H new ATOM 0 HA SER A 3 14.276 3.816 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.559 1.741 -5.939 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.316 2.112 -4.243 1.00 0.00 H new ATOM 0 HG SER A 3 12.971 2.107 -4.752 1.00 0.00 H new ATOM 30 N GLY A 4 13.967 5.748 -4.528 1.00 0.00 N ATOM 31 CA GLY A 4 13.196 6.523 -3.572 1.00 0.00 C ATOM 32 C GLY A 4 11.883 7.012 -4.149 1.00 0.00 C ATOM 33 O GLY A 4 11.522 6.665 -5.273 1.00 0.00 O ATOM 0 H GLY A 4 14.534 6.301 -5.171 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.998 5.914 -2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.786 7.378 -3.242 1.00 0.00 H new ATOM 37 N SER A 5 11.164 7.820 -3.376 1.00 0.00 N ATOM 38 CA SER A 5 9.879 8.354 -3.814 1.00 0.00 C ATOM 39 C SER A 5 10.072 9.420 -4.888 1.00 0.00 C ATOM 40 O SER A 5 11.008 10.216 -4.827 1.00 0.00 O ATOM 41 CB SER A 5 9.116 8.942 -2.625 1.00 0.00 C ATOM 42 OG SER A 5 9.870 9.958 -1.988 1.00 0.00 O ATOM 0 H SER A 5 11.449 8.119 -2.444 1.00 0.00 H new ATOM 0 HA SER A 5 9.298 7.536 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.164 9.350 -2.965 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.886 8.152 -1.910 1.00 0.00 H new ATOM 0 HG SER A 5 9.360 10.319 -1.233 1.00 0.00 H new ATOM 48 N SER A 6 9.178 9.428 -5.871 1.00 0.00 N ATOM 49 CA SER A 6 9.250 10.393 -6.962 1.00 0.00 C ATOM 50 C SER A 6 8.706 11.749 -6.524 1.00 0.00 C ATOM 51 O SER A 6 9.358 12.778 -6.700 1.00 0.00 O ATOM 52 CB SER A 6 8.467 9.884 -8.174 1.00 0.00 C ATOM 53 OG SER A 6 9.094 8.749 -8.746 1.00 0.00 O ATOM 0 H SER A 6 8.395 8.777 -5.935 1.00 0.00 H new ATOM 0 HA SER A 6 10.297 10.513 -7.239 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.451 9.629 -7.873 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.390 10.675 -8.920 1.00 0.00 H new ATOM 0 HG SER A 6 8.574 8.442 -9.517 1.00 0.00 H new ATOM 59 N GLY A 7 7.506 11.742 -5.952 1.00 0.00 N ATOM 60 CA GLY A 7 6.894 12.977 -5.498 1.00 0.00 C ATOM 61 C GLY A 7 6.196 12.821 -4.161 1.00 0.00 C ATOM 62 O GLY A 7 5.845 11.716 -3.745 1.00 0.00 O ATOM 0 H GLY A 7 6.947 10.903 -5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.659 13.750 -5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.174 13.317 -6.243 1.00 0.00 H new ATOM 66 N PRO A 8 5.987 13.947 -3.463 1.00 0.00 N ATOM 67 CA PRO A 8 5.326 13.956 -2.154 1.00 0.00 C ATOM 68 C PRO A 8 3.841 13.625 -2.252 1.00 0.00 C ATOM 69 O PRO A 8 3.242 13.129 -1.298 1.00 0.00 O ATOM 70 CB PRO A 8 5.523 15.394 -1.668 1.00 0.00 C ATOM 71 CG PRO A 8 5.683 16.196 -2.912 1.00 0.00 C ATOM 72 CD PRO A 8 6.379 15.298 -3.897 1.00 0.00 C ATOM 0 HA PRO A 8 5.740 13.204 -1.483 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.668 15.735 -1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.401 15.478 -1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.715 16.519 -3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.268 17.096 -2.723 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.060 15.500 -4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.460 15.431 -3.868 1.00 0.00 H new ATOM 80 N ASP A 9 3.254 13.901 -3.411 1.00 0.00 N ATOM 81 CA ASP A 9 1.838 13.631 -3.635 1.00 0.00 C ATOM 82 C ASP A 9 1.419 12.332 -2.952 1.00 0.00 C ATOM 83 O ASP A 9 0.313 12.228 -2.422 1.00 0.00 O ATOM 84 CB ASP A 9 1.542 13.553 -5.133 1.00 0.00 C ATOM 85 CG ASP A 9 2.368 14.537 -5.938 1.00 0.00 C ATOM 86 OD1 ASP A 9 1.992 15.727 -5.986 1.00 0.00 O ATOM 87 OD2 ASP A 9 3.390 14.117 -6.521 1.00 0.00 O ATOM 0 H ASP A 9 3.736 14.312 -4.210 1.00 0.00 H new ATOM 0 HA ASP A 9 1.264 14.450 -3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.740 12.541 -5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.483 13.748 -5.302 1.00 0.00 H new ATOM 92 N ALA A 10 2.309 11.346 -2.971 1.00 0.00 N ATOM 93 CA ALA A 10 2.031 10.055 -2.354 1.00 0.00 C ATOM 94 C ALA A 10 2.232 10.114 -0.843 1.00 0.00 C ATOM 95 O ALA A 10 2.967 10.954 -0.323 1.00 0.00 O ATOM 96 CB ALA A 10 2.915 8.977 -2.964 1.00 0.00 C ATOM 0 H ALA A 10 3.229 11.416 -3.407 1.00 0.00 H new ATOM 0 HA ALA A 10 0.987 9.806 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.697 8.018 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.720 8.909 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.963 9.231 -2.802 1.00 0.00 H new ATOM 102 N PRO A 11 1.564 9.203 -0.121 1.00 0.00 N ATOM 103 CA PRO A 11 1.654 9.131 1.341 1.00 0.00 C ATOM 104 C PRO A 11 3.021 8.649 1.815 1.00 0.00 C ATOM 105 O PRO A 11 3.906 8.370 1.006 1.00 0.00 O ATOM 106 CB PRO A 11 0.570 8.116 1.713 1.00 0.00 C ATOM 107 CG PRO A 11 0.413 7.267 0.499 1.00 0.00 C ATOM 108 CD PRO A 11 0.671 8.171 -0.674 1.00 0.00 C ATOM 0 HA PRO A 11 1.521 10.108 1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.865 7.521 2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.365 8.613 1.972 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.116 6.434 0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.588 6.839 0.449 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.140 7.635 -1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.253 8.603 -1.059 1.00 0.00 H new ATOM 116 N ARG A 12 3.186 8.554 3.130 1.00 0.00 N ATOM 117 CA ARG A 12 4.446 8.107 3.712 1.00 0.00 C ATOM 118 C ARG A 12 4.214 7.443 5.066 1.00 0.00 C ATOM 119 O ARG A 12 3.124 7.526 5.630 1.00 0.00 O ATOM 120 CB ARG A 12 5.407 9.287 3.868 1.00 0.00 C ATOM 121 CG ARG A 12 5.569 10.112 2.602 1.00 0.00 C ATOM 122 CD ARG A 12 6.347 11.392 2.867 1.00 0.00 C ATOM 123 NE ARG A 12 7.788 11.157 2.915 1.00 0.00 N ATOM 124 CZ ARG A 12 8.651 11.996 3.476 1.00 0.00 C ATOM 125 NH1 ARG A 12 8.221 13.119 4.034 1.00 0.00 N ATOM 126 NH2 ARG A 12 9.947 11.712 3.480 1.00 0.00 N ATOM 0 H ARG A 12 2.463 8.781 3.813 1.00 0.00 H new ATOM 0 HA ARG A 12 4.889 7.373 3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.048 9.933 4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.383 8.911 4.174 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.085 9.521 1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.587 10.359 2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.124 12.120 2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.019 11.827 3.811 1.00 0.00 H new ATOM 0 HE ARG A 12 8.151 10.302 2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.225 13.340 4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.886 13.762 4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.281 10.849 3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.609 12.357 3.911 1.00 0.00 H new ATOM 140 N ASN A 13 5.247 6.784 5.581 1.00 0.00 N ATOM 141 CA ASN A 13 5.156 6.105 6.868 1.00 0.00 C ATOM 142 C ASN A 13 4.311 4.839 6.757 1.00 0.00 C ATOM 143 O ASN A 13 3.587 4.479 7.686 1.00 0.00 O ATOM 144 CB ASN A 13 4.557 7.040 7.921 1.00 0.00 C ATOM 145 CG ASN A 13 4.861 6.589 9.336 1.00 0.00 C ATOM 146 OD1 ASN A 13 5.888 5.958 9.591 1.00 0.00 O ATOM 147 ND2 ASN A 13 3.968 6.910 10.264 1.00 0.00 N ATOM 0 H ASN A 13 6.157 6.706 5.127 1.00 0.00 H new ATOM 0 HA ASN A 13 6.164 5.823 7.173 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.947 8.047 7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.477 7.093 7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.118 6.633 11.234 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.131 7.434 10.007 1.00 0.00 H new ATOM 154 N LEU A 14 4.409 4.168 5.615 1.00 0.00 N ATOM 155 CA LEU A 14 3.655 2.942 5.381 1.00 0.00 C ATOM 156 C LEU A 14 4.058 1.857 6.375 1.00 0.00 C ATOM 157 O LEU A 14 5.155 1.306 6.295 1.00 0.00 O ATOM 158 CB LEU A 14 3.878 2.447 3.951 1.00 0.00 C ATOM 159 CG LEU A 14 3.055 1.231 3.525 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.575 1.577 3.479 1.00 0.00 C ATOM 161 CD2 LEU A 14 3.526 0.715 2.173 1.00 0.00 C ATOM 0 H LEU A 14 5.003 4.452 4.836 1.00 0.00 H new ATOM 0 HA LEU A 14 2.597 3.163 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.659 3.266 3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.934 2.205 3.832 1.00 0.00 H new ATOM 0 HG LEU A 14 3.200 0.442 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.005 0.699 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.245 1.898 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.412 2.382 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.929 -0.151 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.412 1.499 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.575 0.426 2.239 1.00 0.00 H new ATOM 173 N GLN A 15 3.161 1.555 7.308 1.00 0.00 N ATOM 174 CA GLN A 15 3.424 0.535 8.317 1.00 0.00 C ATOM 175 C GLN A 15 2.316 -0.514 8.331 1.00 0.00 C ATOM 176 O GLN A 15 1.183 -0.230 8.719 1.00 0.00 O ATOM 177 CB GLN A 15 3.553 1.175 9.699 1.00 0.00 C ATOM 178 CG GLN A 15 4.974 1.588 10.048 1.00 0.00 C ATOM 179 CD GLN A 15 5.156 1.862 11.528 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.571 0.986 12.287 1.00 0.00 O ATOM 181 NE2 GLN A 15 4.845 3.084 11.946 1.00 0.00 N ATOM 0 H GLN A 15 2.247 2.001 7.386 1.00 0.00 H new ATOM 0 HA GLN A 15 4.363 0.043 8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.907 2.052 9.746 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.193 0.473 10.451 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.663 0.801 9.741 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.238 2.481 9.482 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.504 3.779 11.282 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.947 3.327 12.931 1.00 0.00 H new ATOM 190 N LEU A 16 2.652 -1.727 7.905 1.00 0.00 N ATOM 191 CA LEU A 16 1.685 -2.819 7.868 1.00 0.00 C ATOM 192 C LEU A 16 1.701 -3.605 9.175 1.00 0.00 C ATOM 193 O LEU A 16 2.698 -3.606 9.898 1.00 0.00 O ATOM 194 CB LEU A 16 1.986 -3.753 6.695 1.00 0.00 C ATOM 195 CG LEU A 16 1.467 -3.304 5.328 1.00 0.00 C ATOM 196 CD1 LEU A 16 2.424 -2.307 4.695 1.00 0.00 C ATOM 197 CD2 LEU A 16 1.262 -4.504 4.415 1.00 0.00 C ATOM 0 H LEU A 16 3.586 -1.979 7.581 1.00 0.00 H new ATOM 0 HA LEU A 16 0.692 -2.388 7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.066 -3.881 6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.562 -4.732 6.918 1.00 0.00 H new ATOM 0 HG LEU A 16 0.505 -2.812 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.038 -1.999 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.520 -1.434 5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.401 -2.772 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.893 -4.166 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.210 -5.025 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.536 -5.183 4.863 1.00 0.00 H new ATOM 209 N SER A 17 0.591 -4.273 9.472 1.00 0.00 N ATOM 210 CA SER A 17 0.477 -5.061 10.693 1.00 0.00 C ATOM 211 C SER A 17 -0.564 -6.165 10.532 1.00 0.00 C ATOM 212 O SER A 17 -1.179 -6.305 9.474 1.00 0.00 O ATOM 213 CB SER A 17 0.105 -4.162 11.873 1.00 0.00 C ATOM 214 OG SER A 17 -0.622 -3.025 11.439 1.00 0.00 O ATOM 0 H SER A 17 -0.242 -4.284 8.884 1.00 0.00 H new ATOM 0 HA SER A 17 1.444 -5.523 10.889 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.491 -4.726 12.590 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.010 -3.843 12.391 1.00 0.00 H new ATOM 0 HG SER A 17 -0.849 -2.467 12.212 1.00 0.00 H new ATOM 220 N LEU A 18 -0.757 -6.947 11.588 1.00 0.00 N ATOM 221 CA LEU A 18 -1.723 -8.039 11.566 1.00 0.00 C ATOM 222 C LEU A 18 -2.741 -7.889 12.692 1.00 0.00 C ATOM 223 O LEU A 18 -2.390 -7.758 13.865 1.00 0.00 O ATOM 224 CB LEU A 18 -1.006 -9.384 11.688 1.00 0.00 C ATOM 225 CG LEU A 18 -0.475 -9.982 10.384 1.00 0.00 C ATOM 226 CD1 LEU A 18 -1.576 -10.039 9.336 1.00 0.00 C ATOM 227 CD2 LEU A 18 0.711 -9.178 9.872 1.00 0.00 C ATOM 0 H LEU A 18 -0.257 -6.845 12.471 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.253 -8.002 10.614 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.170 -9.266 12.377 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.693 -10.100 12.139 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.139 -10.999 10.584 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.180 -10.467 8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.395 -10.659 9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.943 -9.032 9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.075 -9.618 8.944 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.401 -8.149 9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.507 -9.190 10.616 1.00 0.00 H new ATOM 239 N PRO A 19 -4.032 -7.910 12.331 1.00 0.00 N ATOM 240 CA PRO A 19 -5.127 -7.781 13.296 1.00 0.00 C ATOM 241 C PRO A 19 -5.257 -9.007 14.194 1.00 0.00 C ATOM 242 O PRO A 19 -5.309 -10.138 13.711 1.00 0.00 O ATOM 243 CB PRO A 19 -6.367 -7.633 12.410 1.00 0.00 C ATOM 244 CG PRO A 19 -5.997 -8.298 11.129 1.00 0.00 C ATOM 245 CD PRO A 19 -4.523 -8.064 10.951 1.00 0.00 C ATOM 0 HA PRO A 19 -4.972 -6.945 13.978 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.238 -8.106 12.865 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.619 -6.584 12.253 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.221 -9.364 11.164 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.562 -7.881 10.295 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.042 -8.901 10.444 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.327 -7.174 10.353 1.00 0.00 H new ATOM 253 N ARG A 20 -5.309 -8.775 15.501 1.00 0.00 N ATOM 254 CA ARG A 20 -5.432 -9.861 16.466 1.00 0.00 C ATOM 255 C ARG A 20 -6.877 -10.341 16.563 1.00 0.00 C ATOM 256 O ARG A 20 -7.174 -11.304 17.268 1.00 0.00 O ATOM 257 CB ARG A 20 -4.940 -9.408 17.842 1.00 0.00 C ATOM 258 CG ARG A 20 -5.880 -8.436 18.535 1.00 0.00 C ATOM 259 CD ARG A 20 -5.147 -7.590 19.565 1.00 0.00 C ATOM 260 NE ARG A 20 -5.061 -8.257 20.861 1.00 0.00 N ATOM 261 CZ ARG A 20 -4.875 -7.614 22.008 1.00 0.00 C ATOM 262 NH1 ARG A 20 -4.757 -6.293 22.019 1.00 0.00 N ATOM 263 NH2 ARG A 20 -4.808 -8.292 23.147 1.00 0.00 N ATOM 0 H ARG A 20 -5.268 -7.844 15.917 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.814 -10.690 16.122 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.804 -10.284 18.476 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.962 -8.939 17.733 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.345 -7.786 17.793 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.683 -8.989 19.022 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.143 -7.369 19.204 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.661 -6.636 19.682 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.149 -9.273 20.887 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.809 -5.769 21.145 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.614 -5.801 22.901 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.899 -9.308 23.142 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.665 -7.797 24.027 1.00 0.00 H new ATOM 277 N GLU A 21 -7.770 -9.661 15.851 1.00 0.00 N ATOM 278 CA GLU A 21 -9.184 -10.017 15.859 1.00 0.00 C ATOM 279 C GLU A 21 -9.665 -10.368 14.454 1.00 0.00 C ATOM 280 O GLU A 21 -10.865 -10.383 14.183 1.00 0.00 O ATOM 281 CB GLU A 21 -10.020 -8.867 16.424 1.00 0.00 C ATOM 282 CG GLU A 21 -10.130 -8.881 17.939 1.00 0.00 C ATOM 283 CD GLU A 21 -10.823 -7.647 18.485 1.00 0.00 C ATOM 284 OE1 GLU A 21 -10.298 -6.533 18.282 1.00 0.00 O ATOM 285 OE2 GLU A 21 -11.890 -7.797 19.116 1.00 0.00 O ATOM 0 H GLU A 21 -7.540 -8.861 15.262 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.308 -10.893 16.496 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.580 -7.921 16.109 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.021 -8.912 15.995 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.679 -9.769 18.252 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.132 -8.954 18.371 1.00 0.00 H new ATOM 292 N ALA A 22 -8.718 -10.648 13.564 1.00 0.00 N ATOM 293 CA ALA A 22 -9.044 -11.000 12.188 1.00 0.00 C ATOM 294 C ALA A 22 -7.930 -11.826 11.554 1.00 0.00 C ATOM 295 O ALA A 22 -6.761 -11.443 11.597 1.00 0.00 O ATOM 296 CB ALA A 22 -9.304 -9.744 11.369 1.00 0.00 C ATOM 0 H ALA A 22 -7.719 -10.638 13.772 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.949 -11.607 12.199 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.546 -10.022 10.343 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.139 -9.193 11.802 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.413 -9.116 11.374 1.00 0.00 H new ATOM 302 N GLU A 23 -8.300 -12.959 10.967 1.00 0.00 N ATOM 303 CA GLU A 23 -7.330 -13.839 10.325 1.00 0.00 C ATOM 304 C GLU A 23 -7.225 -13.538 8.833 1.00 0.00 C ATOM 305 O GLU A 23 -8.178 -13.062 8.216 1.00 0.00 O ATOM 306 CB GLU A 23 -7.721 -15.304 10.534 1.00 0.00 C ATOM 307 CG GLU A 23 -7.840 -15.699 11.997 1.00 0.00 C ATOM 308 CD GLU A 23 -8.735 -16.906 12.204 1.00 0.00 C ATOM 309 OE1 GLU A 23 -8.378 -17.999 11.716 1.00 0.00 O ATOM 310 OE2 GLU A 23 -9.791 -16.757 12.853 1.00 0.00 O ATOM 0 H GLU A 23 -9.264 -13.290 10.922 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.357 -13.660 10.783 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.673 -15.492 10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.979 -15.942 10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.848 -15.915 12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.234 -14.857 12.566 1.00 0.00 H new ATOM 317 N GLY A 24 -6.059 -13.817 8.259 1.00 0.00 N ATOM 318 CA GLY A 24 -5.850 -13.569 6.845 1.00 0.00 C ATOM 319 C GLY A 24 -6.129 -12.129 6.461 1.00 0.00 C ATOM 320 O GLY A 24 -6.676 -11.859 5.392 1.00 0.00 O ATOM 0 H GLY A 24 -5.255 -14.210 8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.822 -13.819 6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.495 -14.228 6.264 1.00 0.00 H new ATOM 324 N VAL A 25 -5.753 -11.202 7.337 1.00 0.00 N ATOM 325 CA VAL A 25 -5.966 -9.782 7.085 1.00 0.00 C ATOM 326 C VAL A 25 -4.715 -8.972 7.408 1.00 0.00 C ATOM 327 O VAL A 25 -3.926 -9.351 8.274 1.00 0.00 O ATOM 328 CB VAL A 25 -7.145 -9.236 7.911 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.233 -7.723 7.782 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.448 -9.892 7.478 1.00 0.00 C ATOM 0 H VAL A 25 -5.300 -11.409 8.227 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.197 -9.680 6.025 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.973 -9.478 8.960 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.072 -7.356 8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.309 -7.273 8.145 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.381 -7.455 6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.271 -9.494 8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.628 -9.683 6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.380 -10.970 7.628 1.00 0.00 H new ATOM 340 N ILE A 26 -4.541 -7.857 6.708 1.00 0.00 N ATOM 341 CA ILE A 26 -3.387 -6.993 6.923 1.00 0.00 C ATOM 342 C ILE A 26 -3.811 -5.534 7.063 1.00 0.00 C ATOM 343 O ILE A 26 -4.386 -4.952 6.143 1.00 0.00 O ATOM 344 CB ILE A 26 -2.373 -7.112 5.770 1.00 0.00 C ATOM 345 CG1 ILE A 26 -1.814 -8.535 5.699 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.248 -6.104 5.948 1.00 0.00 C ATOM 347 CD1 ILE A 26 -0.774 -8.722 4.616 1.00 0.00 C ATOM 0 H ILE A 26 -5.184 -7.530 5.987 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.914 -7.322 7.848 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.884 -6.895 4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.374 -8.792 6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.635 -9.231 5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.539 -6.200 5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.661 -5.095 5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.736 -6.293 6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.422 -9.754 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.215 -8.496 3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.065 -8.051 4.798 1.00 0.00 H new ATOM 359 N VAL A 27 -3.521 -4.949 8.221 1.00 0.00 N ATOM 360 CA VAL A 27 -3.868 -3.557 8.481 1.00 0.00 C ATOM 361 C VAL A 27 -2.723 -2.624 8.103 1.00 0.00 C ATOM 362 O VAL A 27 -1.767 -2.461 8.858 1.00 0.00 O ATOM 363 CB VAL A 27 -4.228 -3.336 9.963 1.00 0.00 C ATOM 364 CG1 VAL A 27 -4.604 -1.883 10.210 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.356 -4.267 10.381 1.00 0.00 C ATOM 0 H VAL A 27 -3.047 -5.417 8.993 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.737 -3.328 7.865 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.353 -3.567 10.571 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.855 -1.746 11.262 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.763 -1.240 9.951 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.464 -1.620 9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.598 -4.098 11.430 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.236 -4.069 9.769 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.043 -5.302 10.243 1.00 0.00 H new ATOM 375 N GLY A 28 -2.829 -2.013 6.926 1.00 0.00 N ATOM 376 CA GLY A 28 -1.795 -1.104 6.468 1.00 0.00 C ATOM 377 C GLY A 28 -2.106 0.342 6.800 1.00 0.00 C ATOM 378 O GLY A 28 -3.213 0.821 6.548 1.00 0.00 O ATOM 0 H GLY A 28 -3.612 -2.132 6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.844 -1.382 6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.675 -1.208 5.390 1.00 0.00 H new ATOM 382 N HIS A 29 -1.129 1.040 7.370 1.00 0.00 N ATOM 383 CA HIS A 29 -1.304 2.440 7.739 1.00 0.00 C ATOM 384 C HIS A 29 -0.334 3.331 6.969 1.00 0.00 C ATOM 385 O HIS A 29 0.583 2.841 6.309 1.00 0.00 O ATOM 386 CB HIS A 29 -1.099 2.623 9.243 1.00 0.00 C ATOM 387 CG HIS A 29 -2.200 2.039 10.073 1.00 0.00 C ATOM 388 ND1 HIS A 29 -2.585 2.563 11.289 1.00 0.00 N ATOM 389 CD2 HIS A 29 -3.001 0.970 9.856 1.00 0.00 C ATOM 390 CE1 HIS A 29 -3.574 1.841 11.784 1.00 0.00 C ATOM 391 NE2 HIS A 29 -3.846 0.868 10.933 1.00 0.00 N ATOM 0 H HIS A 29 -0.208 0.659 7.586 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.322 2.733 7.481 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.154 2.162 9.531 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -1.015 3.687 9.463 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.171 3.381 11.736 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -2.979 0.318 8.995 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.075 2.016 12.725 1.00 0.00 H new ATOM 399 N TRP A 30 -0.542 4.639 7.057 1.00 0.00 N ATOM 400 CA TRP A 30 0.315 5.598 6.368 1.00 0.00 C ATOM 401 C TRP A 30 0.028 7.020 6.837 1.00 0.00 C ATOM 402 O TRP A 30 -0.770 7.233 7.749 1.00 0.00 O ATOM 403 CB TRP A 30 0.114 5.496 4.855 1.00 0.00 C ATOM 404 CG TRP A 30 -1.316 5.652 4.434 1.00 0.00 C ATOM 405 CD1 TRP A 30 -1.964 6.819 4.147 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.275 4.604 4.255 1.00 0.00 C ATOM 407 NE1 TRP A 30 -3.268 6.560 3.800 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.484 5.209 3.858 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.231 3.214 4.389 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.635 4.471 3.596 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.374 2.482 4.130 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.563 3.111 3.736 1.00 0.00 C ATOM 0 H TRP A 30 -1.297 5.061 7.599 1.00 0.00 H new ATOM 0 HA TRP A 30 1.351 5.359 6.607 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.715 6.261 4.363 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.483 4.530 4.511 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.517 7.801 4.187 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.963 7.261 3.541 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.319 2.720 4.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.552 4.954 3.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.351 1.407 4.233 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.439 2.511 3.539 1.00 0.00 H new ATOM 423 N ALA A 31 0.684 7.989 6.208 1.00 0.00 N ATOM 424 CA ALA A 31 0.497 9.391 6.560 1.00 0.00 C ATOM 425 C ALA A 31 0.114 10.218 5.337 1.00 0.00 C ATOM 426 O ALA A 31 0.266 9.787 4.194 1.00 0.00 O ATOM 427 CB ALA A 31 1.759 9.947 7.202 1.00 0.00 C ATOM 0 H ALA A 31 1.350 7.829 5.452 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.320 9.454 7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.605 10.995 7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.987 9.381 8.105 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.590 9.864 6.502 1.00 0.00 H new ATOM 433 N PRO A 32 -0.395 11.435 5.580 1.00 0.00 N ATOM 434 CA PRO A 32 -0.810 12.348 4.511 1.00 0.00 C ATOM 435 C PRO A 32 0.376 12.894 3.722 1.00 0.00 C ATOM 436 O PRO A 32 1.468 13.093 4.255 1.00 0.00 O ATOM 437 CB PRO A 32 -1.517 13.478 5.263 1.00 0.00 C ATOM 438 CG PRO A 32 -0.921 13.455 6.628 1.00 0.00 C ATOM 439 CD PRO A 32 -0.604 12.014 6.918 1.00 0.00 C ATOM 0 HA PRO A 32 -1.439 11.851 3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.355 14.440 4.776 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.594 13.317 5.299 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.021 14.069 6.671 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.617 13.857 7.364 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.284 11.916 7.542 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.420 11.521 7.446 1.00 0.00 H new ATOM 447 N PRO A 33 0.159 13.143 2.422 1.00 0.00 N ATOM 448 CA PRO A 33 1.198 13.671 1.533 1.00 0.00 C ATOM 449 C PRO A 33 1.553 15.119 1.852 1.00 0.00 C ATOM 450 O PRO A 33 0.671 15.952 2.062 1.00 0.00 O ATOM 451 CB PRO A 33 0.561 13.569 0.145 1.00 0.00 C ATOM 452 CG PRO A 33 -0.906 13.610 0.397 1.00 0.00 C ATOM 453 CD PRO A 33 -1.118 12.929 1.721 1.00 0.00 C ATOM 0 HA PRO A 33 2.135 13.122 1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.876 14.392 -0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.851 12.646 -0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.269 14.638 0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.453 13.100 -0.396 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.955 13.364 2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.336 11.868 1.597 1.00 0.00 H new ATOM 461 N ILE A 34 2.849 15.412 1.886 1.00 0.00 N ATOM 462 CA ILE A 34 3.319 16.760 2.178 1.00 0.00 C ATOM 463 C ILE A 34 2.583 17.794 1.333 1.00 0.00 C ATOM 464 O ILE A 34 2.177 18.844 1.831 1.00 0.00 O ATOM 465 CB ILE A 34 4.833 16.894 1.929 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.602 15.868 2.764 1.00 0.00 C ATOM 467 CG2 ILE A 34 5.300 18.306 2.252 1.00 0.00 C ATOM 468 CD1 ILE A 34 5.812 14.548 2.055 1.00 0.00 C ATOM 0 H ILE A 34 3.592 14.734 1.715 1.00 0.00 H new ATOM 0 HA ILE A 34 3.114 16.944 3.233 1.00 0.00 H new ATOM 0 HB ILE A 34 5.032 16.699 0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.572 16.285 3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.062 15.690 3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.372 18.385 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.772 19.018 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.091 18.528 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.364 13.869 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.845 14.109 1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.379 14.713 1.139 1.00 0.00 H new ATOM 480 N HIS A 35 2.411 17.489 0.050 1.00 0.00 N ATOM 481 CA HIS A 35 1.721 18.391 -0.865 1.00 0.00 C ATOM 482 C HIS A 35 1.282 17.654 -2.127 1.00 0.00 C ATOM 483 O HIS A 35 2.096 17.030 -2.809 1.00 0.00 O ATOM 484 CB HIS A 35 2.625 19.567 -1.235 1.00 0.00 C ATOM 485 CG HIS A 35 1.873 20.794 -1.648 1.00 0.00 C ATOM 486 ND1 HIS A 35 0.809 20.765 -2.525 1.00 0.00 N ATOM 487 CD2 HIS A 35 2.036 22.092 -1.299 1.00 0.00 C ATOM 488 CE1 HIS A 35 0.350 21.992 -2.698 1.00 0.00 C ATOM 489 NE2 HIS A 35 1.077 22.816 -1.965 1.00 0.00 N ATOM 0 H HIS A 35 2.740 16.624 -0.379 1.00 0.00 H new ATOM 0 HA HIS A 35 0.833 18.771 -0.360 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.259 19.809 -0.382 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.286 19.265 -2.048 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.781 22.485 -0.623 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.479 22.273 -3.331 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.947 23.826 -1.903 1.00 0.00 H new ATOM 497 N THR A 36 -0.009 17.729 -2.432 1.00 0.00 N ATOM 498 CA THR A 36 -0.556 17.068 -3.610 1.00 0.00 C ATOM 499 C THR A 36 -1.010 18.086 -4.650 1.00 0.00 C ATOM 500 O THR A 36 -1.417 19.197 -4.310 1.00 0.00 O ATOM 501 CB THR A 36 -1.745 16.160 -3.244 1.00 0.00 C ATOM 502 OG1 THR A 36 -2.731 16.911 -2.526 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.286 14.980 -2.401 1.00 0.00 C ATOM 0 H THR A 36 -0.696 18.241 -1.879 1.00 0.00 H new ATOM 0 HA THR A 36 0.243 16.456 -4.029 1.00 0.00 H new ATOM 0 HB THR A 36 -2.180 15.778 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.507 17.068 -3.103 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.143 14.353 -2.155 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.557 14.394 -2.961 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.828 15.346 -1.482 1.00 0.00 H new ATOM 511 N HIS A 37 -0.938 17.699 -5.920 1.00 0.00 N ATOM 512 CA HIS A 37 -1.343 18.579 -7.011 1.00 0.00 C ATOM 513 C HIS A 37 -2.710 19.196 -6.733 1.00 0.00 C ATOM 514 O HIS A 37 -2.875 20.414 -6.782 1.00 0.00 O ATOM 515 CB HIS A 37 -1.378 17.807 -8.330 1.00 0.00 C ATOM 516 CG HIS A 37 -1.339 18.688 -9.541 1.00 0.00 C ATOM 517 ND1 HIS A 37 -2.421 18.865 -10.378 1.00 0.00 N ATOM 518 CD2 HIS A 37 -0.341 19.445 -10.053 1.00 0.00 C ATOM 519 CE1 HIS A 37 -2.089 19.691 -11.354 1.00 0.00 C ATOM 520 NE2 HIS A 37 -0.832 20.058 -11.179 1.00 0.00 N ATOM 0 H HIS A 37 -0.603 16.783 -6.219 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.610 19.382 -7.088 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.532 17.121 -8.363 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.282 17.199 -8.362 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.656 19.548 -9.651 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -2.735 20.012 -12.158 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -0.311 20.694 -11.783 1.00 0.00 H new ATOM 528 N GLY A 38 -3.690 18.345 -6.440 1.00 0.00 N ATOM 529 CA GLY A 38 -5.030 18.825 -6.158 1.00 0.00 C ATOM 530 C GLY A 38 -5.604 18.230 -4.888 1.00 0.00 C ATOM 531 O GLY A 38 -5.047 17.285 -4.329 1.00 0.00 O ATOM 0 H GLY A 38 -3.579 17.332 -6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.013 19.911 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.683 18.583 -6.996 1.00 0.00 H new ATOM 535 N LEU A 39 -6.721 18.785 -4.430 1.00 0.00 N ATOM 536 CA LEU A 39 -7.371 18.304 -3.216 1.00 0.00 C ATOM 537 C LEU A 39 -7.518 16.786 -3.241 1.00 0.00 C ATOM 538 O LEU A 39 -8.010 16.216 -4.215 1.00 0.00 O ATOM 539 CB LEU A 39 -8.745 18.957 -3.056 1.00 0.00 C ATOM 540 CG LEU A 39 -9.671 18.329 -2.014 1.00 0.00 C ATOM 541 CD1 LEU A 39 -9.138 18.574 -0.610 1.00 0.00 C ATOM 542 CD2 LEU A 39 -11.083 18.878 -2.154 1.00 0.00 C ATOM 0 H LEU A 39 -7.195 19.568 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.744 18.576 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.598 20.006 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.250 18.935 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.703 17.253 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.810 18.120 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.147 18.131 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.075 19.647 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.728 18.419 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.069 19.958 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.465 18.650 -3.149 1.00 0.00 H new ATOM 554 N ILE A 40 -7.089 16.138 -2.163 1.00 0.00 N ATOM 555 CA ILE A 40 -7.175 14.686 -2.060 1.00 0.00 C ATOM 556 C ILE A 40 -8.613 14.236 -1.824 1.00 0.00 C ATOM 557 O ILE A 40 -9.322 14.802 -0.991 1.00 0.00 O ATOM 558 CB ILE A 40 -6.287 14.148 -0.923 1.00 0.00 C ATOM 559 CG1 ILE A 40 -4.818 14.474 -1.196 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.482 12.648 -0.763 1.00 0.00 C ATOM 561 CD1 ILE A 40 -3.968 14.530 0.054 1.00 0.00 C ATOM 0 H ILE A 40 -6.679 16.595 -1.349 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.821 14.281 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.580 14.634 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.407 13.723 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.757 15.433 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.848 12.283 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.526 12.440 -0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.213 12.145 -1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.939 14.766 -0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.353 15.300 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.999 13.564 0.558 1.00 0.00 H new ATOM 573 N ARG A 41 -9.036 13.214 -2.560 1.00 0.00 N ATOM 574 CA ARG A 41 -10.390 12.688 -2.430 1.00 0.00 C ATOM 575 C ARG A 41 -10.390 11.378 -1.648 1.00 0.00 C ATOM 576 O ARG A 41 -11.272 11.137 -0.823 1.00 0.00 O ATOM 577 CB ARG A 41 -11.009 12.469 -3.812 1.00 0.00 C ATOM 578 CG ARG A 41 -11.022 13.717 -4.678 1.00 0.00 C ATOM 579 CD ARG A 41 -11.850 13.513 -5.938 1.00 0.00 C ATOM 580 NE ARG A 41 -12.419 14.766 -6.427 1.00 0.00 N ATOM 581 CZ ARG A 41 -13.351 15.454 -5.777 1.00 0.00 C ATOM 582 NH1 ARG A 41 -13.815 15.013 -4.616 1.00 0.00 N ATOM 583 NH2 ARG A 41 -13.819 16.586 -6.287 1.00 0.00 N ATOM 0 H ARG A 41 -8.461 12.734 -3.252 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.987 13.418 -1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.456 11.685 -4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.031 12.111 -3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.426 14.553 -4.107 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.001 13.982 -4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.226 13.071 -6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.653 12.805 -5.733 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.082 15.133 -7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.456 14.144 -4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.531 15.543 -4.118 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.463 16.929 -7.179 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.535 17.113 -5.787 1.00 0.00 H new ATOM 597 N GLU A 42 -9.396 10.535 -1.912 1.00 0.00 N ATOM 598 CA GLU A 42 -9.284 9.250 -1.233 1.00 0.00 C ATOM 599 C GLU A 42 -7.908 8.631 -1.463 1.00 0.00 C ATOM 600 O GLU A 42 -7.088 9.173 -2.205 1.00 0.00 O ATOM 601 CB GLU A 42 -10.374 8.293 -1.722 1.00 0.00 C ATOM 602 CG GLU A 42 -10.412 8.134 -3.232 1.00 0.00 C ATOM 603 CD GLU A 42 -11.799 7.810 -3.750 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.779 8.065 -3.019 1.00 0.00 O ATOM 605 OE2 GLU A 42 -11.905 7.301 -4.885 1.00 0.00 O ATOM 0 H GLU A 42 -8.657 10.719 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.413 9.420 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.218 7.315 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.343 8.654 -1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.059 9.053 -3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.724 7.342 -3.528 1.00 0.00 H new ATOM 612 N TYR A 43 -7.663 7.495 -0.821 1.00 0.00 N ATOM 613 CA TYR A 43 -6.386 6.804 -0.952 1.00 0.00 C ATOM 614 C TYR A 43 -6.594 5.345 -1.348 1.00 0.00 C ATOM 615 O TYR A 43 -7.344 4.615 -0.699 1.00 0.00 O ATOM 616 CB TYR A 43 -5.603 6.881 0.360 1.00 0.00 C ATOM 617 CG TYR A 43 -5.352 8.295 0.833 1.00 0.00 C ATOM 618 CD1 TYR A 43 -4.248 9.012 0.388 1.00 0.00 C ATOM 619 CD2 TYR A 43 -6.220 8.914 1.724 1.00 0.00 C ATOM 620 CE1 TYR A 43 -4.014 10.303 0.818 1.00 0.00 C ATOM 621 CE2 TYR A 43 -5.995 10.206 2.158 1.00 0.00 C ATOM 622 CZ TYR A 43 -4.890 10.896 1.703 1.00 0.00 C ATOM 623 OH TYR A 43 -4.662 12.184 2.133 1.00 0.00 O ATOM 0 H TYR A 43 -8.332 7.033 -0.205 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.814 7.297 -1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.150 6.340 1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.646 6.374 0.233 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.561 8.551 -0.306 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.085 8.376 2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.150 10.845 0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.680 10.674 2.850 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.373 12.453 2.752 1.00 0.00 H new ATOM 633 N ILE A 44 -5.924 4.928 -2.417 1.00 0.00 N ATOM 634 CA ILE A 44 -6.033 3.556 -2.899 1.00 0.00 C ATOM 635 C ILE A 44 -4.971 2.664 -2.265 1.00 0.00 C ATOM 636 O ILE A 44 -3.871 3.119 -1.949 1.00 0.00 O ATOM 637 CB ILE A 44 -5.899 3.486 -4.432 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.645 2.266 -4.975 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.432 3.440 -4.833 1.00 0.00 C ATOM 640 CD1 ILE A 44 -7.094 2.422 -6.411 1.00 0.00 C ATOM 0 H ILE A 44 -5.300 5.520 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.022 3.198 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.345 4.382 -4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.999 1.391 -4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.517 2.075 -4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.353 3.391 -5.919 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.928 4.337 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.962 2.559 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.616 1.519 -6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.766 3.277 -6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.225 2.582 -7.049 1.00 0.00 H new ATOM 652 N VAL A 45 -5.307 1.391 -2.083 1.00 0.00 N ATOM 653 CA VAL A 45 -4.381 0.434 -1.490 1.00 0.00 C ATOM 654 C VAL A 45 -4.250 -0.813 -2.357 1.00 0.00 C ATOM 655 O VAL A 45 -5.152 -1.649 -2.400 1.00 0.00 O ATOM 656 CB VAL A 45 -4.833 0.018 -0.078 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.666 1.173 0.898 1.00 0.00 C ATOM 658 CG2 VAL A 45 -6.274 -0.468 -0.101 1.00 0.00 C ATOM 0 H VAL A 45 -6.213 0.999 -2.338 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.413 0.930 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.202 -0.805 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.990 0.860 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.618 1.469 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.270 2.018 0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.576 -0.758 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.922 0.332 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.358 -1.327 -0.766 1.00 0.00 H new ATOM 668 N GLU A 46 -3.120 -0.932 -3.047 1.00 0.00 N ATOM 669 CA GLU A 46 -2.871 -2.078 -3.914 1.00 0.00 C ATOM 670 C GLU A 46 -2.013 -3.121 -3.203 1.00 0.00 C ATOM 671 O GLU A 46 -0.914 -2.824 -2.736 1.00 0.00 O ATOM 672 CB GLU A 46 -2.182 -1.629 -5.204 1.00 0.00 C ATOM 673 CG GLU A 46 -3.146 -1.124 -6.265 1.00 0.00 C ATOM 674 CD GLU A 46 -2.439 -0.667 -7.526 1.00 0.00 C ATOM 675 OE1 GLU A 46 -1.269 -0.242 -7.429 1.00 0.00 O ATOM 676 OE2 GLU A 46 -3.055 -0.735 -8.610 1.00 0.00 O ATOM 0 H GLU A 46 -2.363 -0.249 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.832 -2.530 -4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.468 -0.840 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.612 -2.464 -5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.852 -1.916 -6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.727 -0.296 -5.858 1.00 0.00 H new ATOM 683 N TYR A 47 -2.525 -4.345 -3.126 1.00 0.00 N ATOM 684 CA TYR A 47 -1.809 -5.433 -2.470 1.00 0.00 C ATOM 685 C TYR A 47 -1.787 -6.679 -3.350 1.00 0.00 C ATOM 686 O TYR A 47 -2.688 -6.896 -4.161 1.00 0.00 O ATOM 687 CB TYR A 47 -2.455 -5.757 -1.123 1.00 0.00 C ATOM 688 CG TYR A 47 -3.884 -6.237 -1.236 1.00 0.00 C ATOM 689 CD1 TYR A 47 -4.939 -5.335 -1.289 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.179 -7.594 -1.291 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.246 -5.769 -1.392 1.00 0.00 C ATOM 692 CE2 TYR A 47 -5.484 -8.037 -1.396 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.513 -7.121 -1.445 1.00 0.00 C ATOM 694 OH TYR A 47 -7.814 -7.558 -1.549 1.00 0.00 O ATOM 0 H TYR A 47 -3.433 -4.608 -3.510 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.781 -5.110 -2.304 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.863 -6.521 -0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.428 -4.868 -0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.734 -4.275 -1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.375 -8.314 -1.251 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.054 -5.054 -1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.696 -9.095 -1.439 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.829 -8.538 -1.576 1.00 0.00 H new ATOM 704 N SER A 48 -0.752 -7.495 -3.183 1.00 0.00 N ATOM 705 CA SER A 48 -0.610 -8.719 -3.963 1.00 0.00 C ATOM 706 C SER A 48 0.314 -9.708 -3.259 1.00 0.00 C ATOM 707 O SER A 48 1.223 -9.313 -2.528 1.00 0.00 O ATOM 708 CB SER A 48 -0.066 -8.400 -5.357 1.00 0.00 C ATOM 709 OG SER A 48 0.113 -9.583 -6.117 1.00 0.00 O ATOM 0 H SER A 48 0.001 -7.331 -2.515 1.00 0.00 H new ATOM 0 HA SER A 48 -1.595 -9.175 -4.060 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.754 -7.732 -5.875 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.884 -7.873 -5.268 1.00 0.00 H new ATOM 0 HG SER A 48 -0.227 -9.443 -7.025 1.00 0.00 H new ATOM 715 N ARG A 49 0.075 -10.996 -3.484 1.00 0.00 N ATOM 716 CA ARG A 49 0.884 -12.042 -2.871 1.00 0.00 C ATOM 717 C ARG A 49 2.204 -12.215 -3.616 1.00 0.00 C ATOM 718 O ARG A 49 2.221 -12.423 -4.829 1.00 0.00 O ATOM 719 CB ARG A 49 0.117 -13.366 -2.856 1.00 0.00 C ATOM 720 CG ARG A 49 0.856 -14.489 -2.146 1.00 0.00 C ATOM 721 CD ARG A 49 0.218 -15.840 -2.429 1.00 0.00 C ATOM 722 NE ARG A 49 0.305 -16.203 -3.841 1.00 0.00 N ATOM 723 CZ ARG A 49 0.110 -17.435 -4.297 1.00 0.00 C ATOM 724 NH1 ARG A 49 -0.183 -18.418 -3.457 1.00 0.00 N ATOM 725 NH2 ARG A 49 0.207 -17.686 -5.596 1.00 0.00 N ATOM 0 H ARG A 49 -0.673 -11.340 -4.087 1.00 0.00 H new ATOM 0 HA ARG A 49 1.102 -11.744 -1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.847 -13.213 -2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.088 -13.669 -3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.897 -14.502 -2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.857 -14.304 -1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.708 -16.605 -1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.828 -15.817 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 49 0.528 -15.470 -4.514 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.259 -18.229 -2.458 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.332 -19.363 -3.810 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.432 -16.932 -6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.057 -18.633 -5.945 1.00 0.00 H new ATOM 739 N SER A 50 3.308 -12.129 -2.881 1.00 0.00 N ATOM 740 CA SER A 50 4.634 -12.271 -3.473 1.00 0.00 C ATOM 741 C SER A 50 4.613 -13.286 -4.612 1.00 0.00 C ATOM 742 O SER A 50 4.288 -14.455 -4.412 1.00 0.00 O ATOM 743 CB SER A 50 5.646 -12.702 -2.410 1.00 0.00 C ATOM 744 OG SER A 50 6.871 -13.097 -3.002 1.00 0.00 O ATOM 0 H SER A 50 3.311 -11.962 -1.875 1.00 0.00 H new ATOM 0 HA SER A 50 4.931 -11.303 -3.876 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.822 -11.880 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.237 -13.528 -1.828 1.00 0.00 H new ATOM 0 HG SER A 50 7.501 -13.366 -2.301 1.00 0.00 H new ATOM 750 N GLY A 51 4.963 -12.827 -5.811 1.00 0.00 N ATOM 751 CA GLY A 51 4.979 -13.706 -6.965 1.00 0.00 C ATOM 752 C GLY A 51 3.618 -13.823 -7.623 1.00 0.00 C ATOM 753 O GLY A 51 3.092 -14.924 -7.784 1.00 0.00 O ATOM 0 H GLY A 51 5.235 -11.863 -6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.700 -13.333 -7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.318 -14.696 -6.659 1.00 0.00 H new ATOM 757 N SER A 52 3.047 -12.684 -8.003 1.00 0.00 N ATOM 758 CA SER A 52 1.736 -12.663 -8.643 1.00 0.00 C ATOM 759 C SER A 52 1.569 -11.411 -9.498 1.00 0.00 C ATOM 760 O SER A 52 1.810 -10.294 -9.039 1.00 0.00 O ATOM 761 CB SER A 52 0.630 -12.725 -7.588 1.00 0.00 C ATOM 762 OG SER A 52 0.641 -13.969 -6.909 1.00 0.00 O ATOM 0 H SER A 52 3.471 -11.765 -7.879 1.00 0.00 H new ATOM 0 HA SER A 52 1.661 -13.537 -9.291 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.762 -11.915 -6.871 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.339 -12.575 -8.064 1.00 0.00 H new ATOM 0 HG SER A 52 1.394 -14.509 -7.228 1.00 0.00 H new ATOM 768 N LYS A 53 1.156 -11.606 -10.746 1.00 0.00 N ATOM 769 CA LYS A 53 0.954 -10.494 -11.668 1.00 0.00 C ATOM 770 C LYS A 53 -0.396 -9.826 -11.428 1.00 0.00 C ATOM 771 O LYS A 53 -0.795 -8.929 -12.169 1.00 0.00 O ATOM 772 CB LYS A 53 1.043 -10.983 -13.115 1.00 0.00 C ATOM 773 CG LYS A 53 2.419 -11.499 -13.500 1.00 0.00 C ATOM 774 CD LYS A 53 3.400 -10.360 -13.720 1.00 0.00 C ATOM 775 CE LYS A 53 3.198 -9.705 -15.078 1.00 0.00 C ATOM 776 NZ LYS A 53 3.887 -8.388 -15.167 1.00 0.00 N ATOM 0 H LYS A 53 0.955 -12.524 -11.142 1.00 0.00 H new ATOM 0 HA LYS A 53 1.739 -9.759 -11.490 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.311 -11.776 -13.267 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.771 -10.166 -13.783 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.794 -12.157 -12.716 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.344 -12.096 -14.409 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.277 -9.615 -12.934 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.420 -10.737 -13.645 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.575 -10.365 -15.859 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.132 -9.570 -15.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.725 -7.974 -16.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.510 -7.749 -14.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.908 -8.519 -15.018 1.00 0.00 H new ATOM 790 N MET A 54 -1.093 -10.269 -10.387 1.00 0.00 N ATOM 791 CA MET A 54 -2.397 -9.711 -10.048 1.00 0.00 C ATOM 792 C MET A 54 -2.316 -8.870 -8.778 1.00 0.00 C ATOM 793 O MET A 54 -1.610 -9.223 -7.834 1.00 0.00 O ATOM 794 CB MET A 54 -3.424 -10.830 -9.867 1.00 0.00 C ATOM 795 CG MET A 54 -3.268 -11.592 -8.561 1.00 0.00 C ATOM 796 SD MET A 54 -4.747 -12.526 -8.122 1.00 0.00 S ATOM 797 CE MET A 54 -4.523 -14.000 -9.114 1.00 0.00 C ATOM 0 H MET A 54 -0.777 -11.012 -9.764 1.00 0.00 H new ATOM 0 HA MET A 54 -2.712 -9.068 -10.869 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.426 -10.403 -9.912 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.338 -11.529 -10.699 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.422 -12.275 -8.642 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.035 -10.890 -7.760 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.360 -14.679 -8.951 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.478 -13.726 -10.168 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.595 -14.494 -8.827 1.00 0.00 H new ATOM 807 N TRP A 55 -3.041 -7.758 -8.763 1.00 0.00 N ATOM 808 CA TRP A 55 -3.050 -6.867 -7.608 1.00 0.00 C ATOM 809 C TRP A 55 -4.451 -6.322 -7.351 1.00 0.00 C ATOM 810 O TRP A 55 -5.156 -5.935 -8.282 1.00 0.00 O ATOM 811 CB TRP A 55 -2.072 -5.711 -7.822 1.00 0.00 C ATOM 812 CG TRP A 55 -0.634 -6.133 -7.777 1.00 0.00 C ATOM 813 CD1 TRP A 55 -0.007 -7.000 -8.626 1.00 0.00 C ATOM 814 CD2 TRP A 55 0.354 -5.708 -6.832 1.00 0.00 C ATOM 815 NE1 TRP A 55 1.311 -7.140 -8.266 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.558 -6.357 -7.169 1.00 0.00 C ATOM 817 CE3 TRP A 55 0.340 -4.842 -5.736 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.734 -6.166 -6.447 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.507 -4.654 -5.020 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.691 -5.313 -5.378 1.00 0.00 C ATOM 0 H TRP A 55 -3.630 -7.451 -9.537 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.738 -7.441 -6.736 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.277 -5.245 -8.786 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.245 -4.952 -7.059 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.478 -7.502 -9.458 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.995 -7.731 -8.739 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.567 -4.328 -5.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.647 -6.673 -6.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.507 -3.988 -4.170 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.587 -5.144 -4.799 1.00 0.00 H new ATOM 831 N ALA A 56 -4.847 -6.296 -6.083 1.00 0.00 N ATOM 832 CA ALA A 56 -6.163 -5.796 -5.704 1.00 0.00 C ATOM 833 C ALA A 56 -6.073 -4.382 -5.141 1.00 0.00 C ATOM 834 O ALA A 56 -5.324 -4.126 -4.198 1.00 0.00 O ATOM 835 CB ALA A 56 -6.810 -6.729 -4.691 1.00 0.00 C ATOM 0 H ALA A 56 -4.276 -6.615 -5.301 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.783 -5.763 -6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.792 -6.344 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.919 -7.722 -5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.183 -6.791 -3.801 1.00 0.00 H new ATOM 841 N SER A 57 -6.839 -3.467 -5.726 1.00 0.00 N ATOM 842 CA SER A 57 -6.842 -2.077 -5.285 1.00 0.00 C ATOM 843 C SER A 57 -8.213 -1.681 -4.744 1.00 0.00 C ATOM 844 O SER A 57 -9.243 -2.067 -5.296 1.00 0.00 O ATOM 845 CB SER A 57 -6.450 -1.153 -6.440 1.00 0.00 C ATOM 846 OG SER A 57 -7.581 -0.803 -7.218 1.00 0.00 O ATOM 0 H SER A 57 -7.466 -3.663 -6.507 1.00 0.00 H new ATOM 0 HA SER A 57 -6.111 -1.974 -4.483 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.982 -0.251 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.710 -1.647 -7.070 1.00 0.00 H new ATOM 0 HG SER A 57 -7.288 -0.346 -8.034 1.00 0.00 H new ATOM 852 N GLN A 58 -8.215 -0.910 -3.662 1.00 0.00 N ATOM 853 CA GLN A 58 -9.458 -0.462 -3.046 1.00 0.00 C ATOM 854 C GLN A 58 -9.305 0.942 -2.470 1.00 0.00 C ATOM 855 O GLN A 58 -8.208 1.353 -2.095 1.00 0.00 O ATOM 856 CB GLN A 58 -9.886 -1.434 -1.945 1.00 0.00 C ATOM 857 CG GLN A 58 -8.891 -1.531 -0.800 1.00 0.00 C ATOM 858 CD GLN A 58 -9.402 -2.382 0.346 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.581 -2.734 0.395 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.516 -2.717 1.276 1.00 0.00 N ATOM 0 H GLN A 58 -7.370 -0.583 -3.194 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.228 -0.437 -3.817 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.852 -1.120 -1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.025 -2.424 -2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.956 -1.951 -1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.667 -0.530 -0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.549 -2.403 1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.802 -3.288 2.071 1.00 0.00 H new ATOM 869 N ARG A 59 -10.414 1.673 -2.404 1.00 0.00 N ATOM 870 CA ARG A 59 -10.402 3.031 -1.875 1.00 0.00 C ATOM 871 C ARG A 59 -10.494 3.023 -0.352 1.00 0.00 C ATOM 872 O ARG A 59 -11.129 2.149 0.237 1.00 0.00 O ATOM 873 CB ARG A 59 -11.561 3.839 -2.461 1.00 0.00 C ATOM 874 CG ARG A 59 -11.223 4.523 -3.776 1.00 0.00 C ATOM 875 CD ARG A 59 -10.902 3.510 -4.864 1.00 0.00 C ATOM 876 NE ARG A 59 -11.106 4.060 -6.201 1.00 0.00 N ATOM 877 CZ ARG A 59 -10.216 4.824 -6.825 1.00 0.00 C ATOM 878 NH1 ARG A 59 -9.067 5.126 -6.236 1.00 0.00 N ATOM 879 NH2 ARG A 59 -10.474 5.287 -8.042 1.00 0.00 N ATOM 0 H ARG A 59 -11.331 1.347 -2.710 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.460 3.497 -2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.413 3.177 -2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.869 4.594 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.062 5.143 -4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.371 5.188 -3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.867 3.183 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.530 2.628 -4.735 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.979 3.846 -6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.864 4.772 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.386 5.713 -6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.356 5.056 -8.499 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.790 5.873 -8.520 1.00 0.00 H new ATOM 893 N ALA A 60 -9.854 4.001 0.280 1.00 0.00 N ATOM 894 CA ALA A 60 -9.864 4.107 1.734 1.00 0.00 C ATOM 895 C ALA A 60 -10.058 5.553 2.177 1.00 0.00 C ATOM 896 O ALA A 60 -9.393 6.460 1.678 1.00 0.00 O ATOM 897 CB ALA A 60 -8.574 3.544 2.313 1.00 0.00 C ATOM 0 H ALA A 60 -9.322 4.732 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.704 3.523 2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.595 3.630 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.477 2.495 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.725 4.104 1.921 1.00 0.00 H new ATOM 903 N ALA A 61 -10.974 5.760 3.118 1.00 0.00 N ATOM 904 CA ALA A 61 -11.255 7.096 3.629 1.00 0.00 C ATOM 905 C ALA A 61 -10.189 7.537 4.626 1.00 0.00 C ATOM 906 O ALA A 61 -9.559 8.580 4.455 1.00 0.00 O ATOM 907 CB ALA A 61 -12.632 7.135 4.274 1.00 0.00 C ATOM 0 H ALA A 61 -11.534 5.020 3.541 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.240 7.791 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.829 8.139 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.388 6.871 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.668 6.424 5.099 1.00 0.00 H new ATOM 913 N SER A 62 -9.993 6.736 5.669 1.00 0.00 N ATOM 914 CA SER A 62 -9.006 7.047 6.696 1.00 0.00 C ATOM 915 C SER A 62 -7.592 6.772 6.192 1.00 0.00 C ATOM 916 O SER A 62 -7.401 6.314 5.067 1.00 0.00 O ATOM 917 CB SER A 62 -9.277 6.226 7.959 1.00 0.00 C ATOM 918 OG SER A 62 -10.352 6.774 8.702 1.00 0.00 O ATOM 0 H SER A 62 -10.505 5.867 5.825 1.00 0.00 H new ATOM 0 HA SER A 62 -9.089 8.107 6.935 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.508 5.197 7.685 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.380 6.198 8.578 1.00 0.00 H new ATOM 0 HG SER A 62 -10.507 6.231 9.503 1.00 0.00 H new ATOM 924 N ASN A 63 -6.604 7.057 7.035 1.00 0.00 N ATOM 925 CA ASN A 63 -5.207 6.843 6.675 1.00 0.00 C ATOM 926 C ASN A 63 -4.798 5.394 6.925 1.00 0.00 C ATOM 927 O ASN A 63 -3.694 5.123 7.399 1.00 0.00 O ATOM 928 CB ASN A 63 -4.303 7.785 7.473 1.00 0.00 C ATOM 929 CG ASN A 63 -4.257 9.180 6.881 1.00 0.00 C ATOM 930 OD1 ASN A 63 -5.262 9.690 6.384 1.00 0.00 O ATOM 931 ND2 ASN A 63 -3.086 9.805 6.930 1.00 0.00 N ATOM 0 H ASN A 63 -6.745 7.436 7.971 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.094 7.056 5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.659 7.841 8.502 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.294 7.374 7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.993 10.746 6.546 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.279 9.344 7.351 1.00 0.00 H new ATOM 938 N PHE A 64 -5.694 4.468 6.603 1.00 0.00 N ATOM 939 CA PHE A 64 -5.427 3.047 6.792 1.00 0.00 C ATOM 940 C PHE A 64 -6.537 2.198 6.180 1.00 0.00 C ATOM 941 O PHE A 64 -7.657 2.669 5.981 1.00 0.00 O ATOM 942 CB PHE A 64 -5.287 2.727 8.282 1.00 0.00 C ATOM 943 CG PHE A 64 -6.586 2.356 8.940 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.636 3.259 8.988 1.00 0.00 C ATOM 945 CD2 PHE A 64 -6.756 1.105 9.511 1.00 0.00 C ATOM 946 CE1 PHE A 64 -8.832 2.921 9.592 1.00 0.00 C ATOM 947 CE2 PHE A 64 -7.950 0.761 10.116 1.00 0.00 C ATOM 948 CZ PHE A 64 -8.989 1.671 10.158 1.00 0.00 C ATOM 0 H PHE A 64 -6.612 4.676 6.210 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.491 2.808 6.286 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.580 1.907 8.404 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.864 3.592 8.793 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.518 4.238 8.548 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.946 0.391 9.483 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.643 3.634 9.621 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.071 -0.218 10.556 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.922 1.405 10.633 1.00 0.00 H new ATOM 958 N THR A 65 -6.218 0.942 5.883 1.00 0.00 N ATOM 959 CA THR A 65 -7.187 0.027 5.292 1.00 0.00 C ATOM 960 C THR A 65 -6.996 -1.391 5.818 1.00 0.00 C ATOM 961 O THR A 65 -5.920 -1.743 6.301 1.00 0.00 O ATOM 962 CB THR A 65 -7.079 0.011 3.755 1.00 0.00 C ATOM 963 OG1 THR A 65 -8.297 -0.480 3.184 1.00 0.00 O ATOM 964 CG2 THR A 65 -5.914 -0.857 3.303 1.00 0.00 C ATOM 0 H THR A 65 -5.296 0.535 6.042 1.00 0.00 H new ATOM 0 HA THR A 65 -8.176 0.387 5.576 1.00 0.00 H new ATOM 0 HB THR A 65 -6.904 1.031 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.284 -0.338 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.858 -0.853 2.214 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.985 -0.463 3.716 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.063 -1.878 3.655 1.00 0.00 H new ATOM 972 N GLU A 66 -8.046 -2.200 5.720 1.00 0.00 N ATOM 973 CA GLU A 66 -7.992 -3.580 6.187 1.00 0.00 C ATOM 974 C GLU A 66 -8.126 -4.555 5.021 1.00 0.00 C ATOM 975 O GLU A 66 -9.231 -4.828 4.550 1.00 0.00 O ATOM 976 CB GLU A 66 -9.099 -3.839 7.212 1.00 0.00 C ATOM 977 CG GLU A 66 -8.680 -3.558 8.645 1.00 0.00 C ATOM 978 CD GLU A 66 -9.838 -3.109 9.514 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.790 -2.510 8.971 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.793 -3.357 10.737 1.00 0.00 O ATOM 0 H GLU A 66 -8.944 -1.924 5.322 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.023 -3.738 6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.962 -3.220 6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.420 -4.878 7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.237 -4.457 9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.908 -2.789 8.650 1.00 0.00 H new ATOM 987 N ILE A 67 -6.994 -5.075 4.560 1.00 0.00 N ATOM 988 CA ILE A 67 -6.984 -6.020 3.450 1.00 0.00 C ATOM 989 C ILE A 67 -7.321 -7.429 3.924 1.00 0.00 C ATOM 990 O ILE A 67 -6.475 -8.128 4.482 1.00 0.00 O ATOM 991 CB ILE A 67 -5.617 -6.042 2.741 1.00 0.00 C ATOM 992 CG1 ILE A 67 -5.278 -4.653 2.195 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.616 -7.072 1.622 1.00 0.00 C ATOM 994 CD1 ILE A 67 -3.794 -4.366 2.151 1.00 0.00 C ATOM 0 H ILE A 67 -6.072 -4.858 4.938 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.744 -5.685 2.744 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.853 -6.323 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.688 -4.557 1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.767 -3.900 2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.643 -7.075 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.816 -8.060 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.388 -6.820 0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.629 -3.365 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.381 -4.429 3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.301 -5.097 1.510 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.563 -7.843 3.696 1.00 0.00 N ATOM 1007 CA LYS A 68 -9.014 -9.170 4.096 1.00 0.00 C ATOM 1008 C LYS A 68 -8.888 -10.159 2.942 1.00 0.00 C ATOM 1009 O LYS A 68 -8.517 -9.785 1.830 1.00 0.00 O ATOM 1010 CB LYS A 68 -10.465 -9.115 4.578 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.780 -7.892 5.422 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.950 -8.147 6.358 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.833 -7.324 7.633 1.00 0.00 C ATOM 1014 NZ LYS A 68 -13.143 -7.187 8.326 1.00 0.00 N ATOM 0 H LYS A 68 -9.276 -7.277 3.235 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.379 -9.510 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.127 -9.129 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.680 -10.012 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.901 -7.614 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.011 -7.049 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.883 -7.903 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.992 -9.207 6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.114 -7.794 8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.444 -6.335 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.021 -6.620 9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.822 -6.715 7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.502 -8.130 8.579 1.00 0.00 H new ATOM 1028 N ASN A 69 -9.200 -11.422 3.213 1.00 0.00 N ATOM 1029 CA ASN A 69 -9.122 -12.464 2.196 1.00 0.00 C ATOM 1030 C ASN A 69 -7.670 -12.773 1.843 1.00 0.00 C ATOM 1031 O ASN A 69 -7.295 -12.793 0.670 1.00 0.00 O ATOM 1032 CB ASN A 69 -9.884 -12.037 0.939 1.00 0.00 C ATOM 1033 CG ASN A 69 -11.162 -11.289 1.265 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -11.978 -11.749 2.064 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -11.343 -10.129 0.644 1.00 0.00 N ATOM 0 H ASN A 69 -9.509 -11.749 4.128 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.579 -13.367 2.601 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.242 -11.405 0.326 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.124 -12.919 0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.185 -9.581 0.822 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.640 -9.786 -0.011 1.00 0.00 H new ATOM 1042 N LEU A 70 -6.857 -13.012 2.866 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.445 -13.321 2.665 1.00 0.00 C ATOM 1044 C LEU A 70 -5.092 -14.674 3.274 1.00 0.00 C ATOM 1045 O LEU A 70 -5.898 -15.277 3.983 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.571 -12.227 3.281 1.00 0.00 C ATOM 1047 CG LEU A 70 -4.895 -10.793 2.860 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -4.102 -9.800 3.696 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.608 -10.594 1.379 1.00 0.00 C ATOM 0 H LEU A 70 -7.151 -12.998 3.843 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.257 -13.366 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.652 -12.293 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.532 -12.433 3.026 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.957 -10.615 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.345 -8.785 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.356 -9.926 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.036 -9.977 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.844 -9.568 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.554 -10.790 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.220 -11.281 0.794 1.00 0.00 H new ATOM 1061 N LEU A 71 -3.881 -15.144 2.994 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.419 -16.426 3.517 1.00 0.00 C ATOM 1063 C LEU A 71 -2.471 -16.224 4.694 1.00 0.00 C ATOM 1064 O LEU A 71 -1.471 -15.515 4.585 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.720 -17.225 2.416 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.535 -17.474 1.146 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -2.631 -17.936 0.014 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -4.630 -18.498 1.408 1.00 0.00 C ATOM 0 H LEU A 71 -3.202 -14.658 2.409 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.288 -16.983 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.805 -16.701 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.423 -18.189 2.828 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.005 -16.536 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.228 -18.108 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.883 -17.170 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.132 -18.862 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.200 -18.663 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.180 -19.437 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.295 -18.128 2.188 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.791 -16.853 5.820 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.967 -16.746 7.018 1.00 0.00 C ATOM 1082 C VAL A 72 -0.565 -17.291 6.770 1.00 0.00 C ATOM 1083 O VAL A 72 -0.389 -18.279 6.059 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.597 -17.500 8.203 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -3.918 -16.859 8.603 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.791 -18.969 7.857 1.00 0.00 C ATOM 0 H VAL A 72 -3.616 -17.443 5.928 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.904 -15.686 7.265 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.918 -17.437 9.053 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.348 -17.406 9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.746 -15.823 8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.607 -16.889 7.759 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.237 -19.487 8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.449 -19.055 6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.826 -19.419 7.624 1.00 0.00 H new ATOM 1096 N ASN A 73 0.431 -16.641 7.364 1.00 0.00 N ATOM 1097 CA ASN A 73 1.819 -17.060 7.208 1.00 0.00 C ATOM 1098 C ASN A 73 2.262 -16.945 5.753 1.00 0.00 C ATOM 1099 O ASN A 73 2.911 -17.843 5.216 1.00 0.00 O ATOM 1100 CB ASN A 73 1.995 -18.501 7.694 1.00 0.00 C ATOM 1101 CG ASN A 73 2.319 -18.576 9.174 1.00 0.00 C ATOM 1102 OD1 ASN A 73 3.133 -17.806 9.683 1.00 0.00 O ATOM 1103 ND2 ASN A 73 1.680 -19.508 9.872 1.00 0.00 N ATOM 0 H ASN A 73 0.302 -15.822 7.958 1.00 0.00 H new ATOM 0 HA ASN A 73 2.442 -16.400 7.812 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.082 -19.063 7.496 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.793 -18.979 7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.856 -19.607 10.872 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.013 -20.125 9.408 1.00 0.00 H new ATOM 1110 N THR A 74 1.908 -15.831 5.119 1.00 0.00 N ATOM 1111 CA THR A 74 2.268 -15.597 3.726 1.00 0.00 C ATOM 1112 C THR A 74 2.747 -14.166 3.515 1.00 0.00 C ATOM 1113 O THR A 74 2.294 -13.242 4.193 1.00 0.00 O ATOM 1114 CB THR A 74 1.080 -15.873 2.785 1.00 0.00 C ATOM 1115 OG1 THR A 74 0.708 -17.254 2.858 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.432 -15.513 1.350 1.00 0.00 C ATOM 0 H THR A 74 1.372 -15.077 5.548 1.00 0.00 H new ATOM 0 HA THR A 74 3.078 -16.287 3.489 1.00 0.00 H new ATOM 0 HB THR A 74 0.241 -15.254 3.103 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.101 -17.347 3.404 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.578 -15.716 0.704 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.687 -14.455 1.292 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.284 -16.110 1.024 1.00 0.00 H new ATOM 1124 N LEU A 75 3.664 -13.987 2.571 1.00 0.00 N ATOM 1125 CA LEU A 75 4.205 -12.666 2.270 1.00 0.00 C ATOM 1126 C LEU A 75 3.264 -11.888 1.355 1.00 0.00 C ATOM 1127 O LEU A 75 2.914 -12.352 0.269 1.00 0.00 O ATOM 1128 CB LEU A 75 5.581 -12.793 1.616 1.00 0.00 C ATOM 1129 CG LEU A 75 6.465 -11.547 1.663 1.00 0.00 C ATOM 1130 CD1 LEU A 75 5.810 -10.399 0.911 1.00 0.00 C ATOM 1131 CD2 LEU A 75 6.750 -11.149 3.104 1.00 0.00 C ATOM 0 H LEU A 75 4.049 -14.740 2.001 1.00 0.00 H new ATOM 0 HA LEU A 75 4.305 -12.119 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.116 -13.611 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.440 -13.075 0.572 1.00 0.00 H new ATOM 0 HG LEU A 75 7.413 -11.779 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.454 -9.521 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.658 -10.685 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.848 -10.167 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.381 -10.260 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.811 -10.936 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.263 -11.966 3.612 1.00 0.00 H new ATOM 1143 N TYR A 76 2.860 -10.704 1.799 1.00 0.00 N ATOM 1144 CA TYR A 76 1.960 -9.861 1.020 1.00 0.00 C ATOM 1145 C TYR A 76 2.513 -8.445 0.892 1.00 0.00 C ATOM 1146 O TYR A 76 2.836 -7.798 1.889 1.00 0.00 O ATOM 1147 CB TYR A 76 0.575 -9.823 1.668 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.347 -10.922 1.190 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -1.032 -10.806 -0.013 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -0.535 -12.075 1.943 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -1.877 -11.807 -0.453 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -1.376 -13.081 1.510 1.00 0.00 C ATOM 1153 CZ TYR A 76 -2.045 -12.943 0.311 1.00 0.00 C ATOM 1154 OH TYR A 76 -2.885 -13.942 -0.123 1.00 0.00 O ATOM 0 H TYR A 76 3.141 -10.305 2.695 1.00 0.00 H new ATOM 0 HA TYR A 76 1.875 -10.290 0.021 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.687 -9.899 2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.113 -8.857 1.462 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.902 -9.919 -0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.014 -12.186 2.883 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.403 -11.700 -1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.509 -13.971 2.107 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.715 -14.759 0.392 1.00 0.00 H new ATOM 1164 N THR A 77 2.620 -7.968 -0.345 1.00 0.00 N ATOM 1165 CA THR A 77 3.135 -6.630 -0.606 1.00 0.00 C ATOM 1166 C THR A 77 2.000 -5.649 -0.880 1.00 0.00 C ATOM 1167 O THR A 77 1.232 -5.821 -1.827 1.00 0.00 O ATOM 1168 CB THR A 77 4.104 -6.624 -1.803 1.00 0.00 C ATOM 1169 OG1 THR A 77 5.073 -7.668 -1.654 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.810 -5.282 -1.921 1.00 0.00 C ATOM 0 H THR A 77 2.357 -8.489 -1.181 1.00 0.00 H new ATOM 0 HA THR A 77 3.674 -6.318 0.289 1.00 0.00 H new ATOM 0 HB THR A 77 3.526 -6.793 -2.711 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.684 -7.659 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.489 -5.302 -2.773 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.071 -4.494 -2.064 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.376 -5.088 -1.010 1.00 0.00 H new ATOM 1178 N VAL A 78 1.900 -4.619 -0.045 1.00 0.00 N ATOM 1179 CA VAL A 78 0.860 -3.609 -0.199 1.00 0.00 C ATOM 1180 C VAL A 78 1.463 -2.243 -0.507 1.00 0.00 C ATOM 1181 O VAL A 78 2.601 -1.957 -0.136 1.00 0.00 O ATOM 1182 CB VAL A 78 -0.008 -3.501 1.068 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -1.220 -2.617 0.811 1.00 0.00 C ATOM 1184 CG2 VAL A 78 -0.436 -4.882 1.540 1.00 0.00 C ATOM 0 H VAL A 78 2.526 -4.462 0.745 1.00 0.00 H new ATOM 0 HA VAL A 78 0.234 -3.923 -1.034 1.00 0.00 H new ATOM 0 HB VAL A 78 0.587 -3.041 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.822 -2.552 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.888 -1.619 0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.819 -3.046 0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.049 -4.786 2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.014 -5.372 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.447 -5.479 1.766 1.00 0.00 H new ATOM 1194 N ARG A 79 0.691 -1.402 -1.189 1.00 0.00 N ATOM 1195 CA ARG A 79 1.148 -0.065 -1.548 1.00 0.00 C ATOM 1196 C ARG A 79 -0.020 0.915 -1.595 1.00 0.00 C ATOM 1197 O ARG A 79 -1.077 0.611 -2.150 1.00 0.00 O ATOM 1198 CB ARG A 79 1.860 -0.093 -2.902 1.00 0.00 C ATOM 1199 CG ARG A 79 1.002 -0.644 -4.029 1.00 0.00 C ATOM 1200 CD ARG A 79 1.797 -0.784 -5.318 1.00 0.00 C ATOM 1201 NE ARG A 79 1.073 -1.551 -6.327 1.00 0.00 N ATOM 1202 CZ ARG A 79 1.530 -1.763 -7.557 1.00 0.00 C ATOM 1203 NH1 ARG A 79 2.704 -1.268 -7.926 1.00 0.00 N ATOM 1204 NH2 ARG A 79 0.813 -2.472 -8.419 1.00 0.00 N ATOM 0 H ARG A 79 -0.254 -1.623 -1.504 1.00 0.00 H new ATOM 0 HA ARG A 79 1.849 0.270 -0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.176 0.918 -3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.763 -0.697 -2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.601 -1.616 -3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.151 0.016 -4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.027 0.206 -5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.749 -1.272 -5.106 1.00 0.00 H new ATOM 0 HE ARG A 79 0.167 -1.946 -6.074 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.258 -0.723 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.053 -1.432 -8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.090 -2.855 -8.138 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.164 -2.634 -9.363 1.00 0.00 H new ATOM 1218 N VAL A 80 0.177 2.092 -1.009 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.860 3.117 -0.985 1.00 0.00 C ATOM 1220 C VAL A 80 -0.513 4.272 -1.917 1.00 0.00 C ATOM 1221 O VAL A 80 0.658 4.520 -2.204 1.00 0.00 O ATOM 1222 CB VAL A 80 -1.072 3.666 0.438 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.273 4.600 0.477 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.242 2.525 1.430 1.00 0.00 C ATOM 0 H VAL A 80 1.045 2.359 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.781 2.644 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.188 4.237 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.407 4.978 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.106 5.436 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.167 4.056 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.391 2.932 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.108 1.925 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.349 1.900 1.422 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.538 4.975 -2.386 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.341 6.106 -3.285 1.00 0.00 C ATOM 1236 C ALA A 81 -2.440 7.147 -3.104 1.00 0.00 C ATOM 1237 O ALA A 81 -3.612 6.806 -2.947 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.294 5.630 -4.729 1.00 0.00 C ATOM 0 H ALA A 81 -2.513 4.782 -2.159 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.388 6.574 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.147 6.485 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.469 4.928 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.232 5.135 -4.980 1.00 0.00 H new ATOM 1244 N ALA A 82 -2.054 8.419 -3.129 1.00 0.00 N ATOM 1245 CA ALA A 82 -3.007 9.510 -2.969 1.00 0.00 C ATOM 1246 C ALA A 82 -3.724 9.809 -4.282 1.00 0.00 C ATOM 1247 O ALA A 82 -3.088 10.032 -5.312 1.00 0.00 O ATOM 1248 CB ALA A 82 -2.302 10.756 -2.456 1.00 0.00 C ATOM 0 H ALA A 82 -1.088 8.719 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.755 9.202 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.026 11.563 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.841 10.542 -1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.533 11.057 -3.167 1.00 0.00 H new ATOM 1254 N VAL A 83 -5.053 9.811 -4.238 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.856 10.082 -5.424 1.00 0.00 C ATOM 1256 C VAL A 83 -6.275 11.547 -5.480 1.00 0.00 C ATOM 1257 O VAL A 83 -6.499 12.181 -4.448 1.00 0.00 O ATOM 1258 CB VAL A 83 -7.116 9.197 -5.463 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -8.203 9.851 -6.303 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.779 7.813 -5.996 1.00 0.00 C ATOM 0 H VAL A 83 -5.596 9.628 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.233 9.852 -6.288 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.493 9.088 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.085 9.211 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.464 10.818 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.840 9.994 -7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.681 7.201 -6.017 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.376 7.900 -7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.038 7.344 -5.349 1.00 0.00 H new ATOM 1270 N THR A 84 -6.380 12.081 -6.693 1.00 0.00 N ATOM 1271 CA THR A 84 -6.772 13.471 -6.885 1.00 0.00 C ATOM 1272 C THR A 84 -7.885 13.592 -7.919 1.00 0.00 C ATOM 1273 O THR A 84 -8.243 12.614 -8.576 1.00 0.00 O ATOM 1274 CB THR A 84 -5.577 14.335 -7.331 1.00 0.00 C ATOM 1275 OG1 THR A 84 -4.941 13.741 -8.468 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.569 14.489 -6.202 1.00 0.00 C ATOM 0 H THR A 84 -6.199 11.571 -7.558 1.00 0.00 H new ATOM 0 HA THR A 84 -7.134 13.832 -5.922 1.00 0.00 H new ATOM 0 HB THR A 84 -5.951 15.323 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.183 14.297 -8.747 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.734 15.103 -6.541 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.049 14.968 -5.349 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.201 13.507 -5.907 1.00 0.00 H new ATOM 1284 N SER A 85 -8.430 14.796 -8.059 1.00 0.00 N ATOM 1285 CA SER A 85 -9.505 15.043 -9.012 1.00 0.00 C ATOM 1286 C SER A 85 -9.285 14.252 -10.297 1.00 0.00 C ATOM 1287 O SER A 85 -10.145 13.479 -10.719 1.00 0.00 O ATOM 1288 CB SER A 85 -9.601 16.537 -9.329 1.00 0.00 C ATOM 1289 OG SER A 85 -10.854 16.855 -9.911 1.00 0.00 O ATOM 0 H SER A 85 -8.144 15.616 -7.524 1.00 0.00 H new ATOM 0 HA SER A 85 -10.440 14.714 -8.560 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.463 17.115 -8.415 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.798 16.820 -10.010 1.00 0.00 H new ATOM 0 HG SER A 85 -10.891 17.815 -10.103 1.00 0.00 H new ATOM 1295 N ARG A 86 -8.125 14.450 -10.915 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.790 13.757 -12.153 1.00 0.00 C ATOM 1297 C ARG A 86 -7.853 12.244 -11.963 1.00 0.00 C ATOM 1298 O ARG A 86 -8.593 11.551 -12.659 1.00 0.00 O ATOM 1299 CB ARG A 86 -6.395 14.164 -12.630 1.00 0.00 C ATOM 1300 CG ARG A 86 -6.387 15.418 -13.489 1.00 0.00 C ATOM 1301 CD ARG A 86 -4.985 15.753 -13.973 1.00 0.00 C ATOM 1302 NE ARG A 86 -5.003 16.505 -15.225 1.00 0.00 N ATOM 1303 CZ ARG A 86 -3.948 17.150 -15.710 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -2.797 17.132 -15.053 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -4.043 17.812 -16.856 1.00 0.00 N ATOM 0 H ARG A 86 -7.401 15.085 -10.578 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.522 14.042 -12.909 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.756 14.324 -11.762 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.960 13.342 -13.198 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.045 15.277 -14.346 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.785 16.255 -12.916 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.467 16.333 -13.209 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.420 14.831 -14.112 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.873 16.537 -15.756 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.720 16.622 -14.173 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.988 17.628 -15.427 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.927 17.826 -17.365 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.232 18.307 -17.228 1.00 0.00 H new ATOM 1319 N GLY A 87 -7.069 11.739 -11.015 1.00 0.00 N ATOM 1320 CA GLY A 87 -7.050 10.312 -10.751 1.00 0.00 C ATOM 1321 C GLY A 87 -5.928 9.911 -9.813 1.00 0.00 C ATOM 1322 O GLY A 87 -5.398 10.744 -9.078 1.00 0.00 O ATOM 0 H GLY A 87 -6.447 12.292 -10.426 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.005 10.013 -10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.943 9.773 -11.692 1.00 0.00 H new ATOM 1326 N ILE A 88 -5.567 8.633 -9.839 1.00 0.00 N ATOM 1327 CA ILE A 88 -4.502 8.123 -8.984 1.00 0.00 C ATOM 1328 C ILE A 88 -3.168 8.785 -9.315 1.00 0.00 C ATOM 1329 O ILE A 88 -2.880 9.080 -10.474 1.00 0.00 O ATOM 1330 CB ILE A 88 -4.352 6.597 -9.120 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.644 5.896 -8.697 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -3.178 6.103 -8.288 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.708 4.443 -9.115 1.00 0.00 C ATOM 0 H ILE A 88 -5.996 7.932 -10.443 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.780 8.362 -7.957 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.157 6.358 -10.165 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.744 5.959 -7.613 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.493 6.427 -9.127 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.085 5.022 -8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.261 6.582 -8.632 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.345 6.351 -7.240 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.651 4.010 -8.782 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.640 4.373 -10.201 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.879 3.898 -8.664 1.00 0.00 H new ATOM 1345 N GLY A 89 -2.357 9.015 -8.287 1.00 0.00 N ATOM 1346 CA GLY A 89 -1.062 9.639 -8.488 1.00 0.00 C ATOM 1347 C GLY A 89 0.086 8.671 -8.283 1.00 0.00 C ATOM 1348 O GLY A 89 0.012 7.514 -8.692 1.00 0.00 O ATOM 0 H GLY A 89 -2.574 8.780 -7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.012 10.048 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.955 10.476 -7.798 1.00 0.00 H new ATOM 1352 N ASN A 90 1.153 9.147 -7.648 1.00 0.00 N ATOM 1353 CA ASN A 90 2.323 8.316 -7.391 1.00 0.00 C ATOM 1354 C ASN A 90 2.016 7.255 -6.339 1.00 0.00 C ATOM 1355 O ASN A 90 1.058 7.380 -5.577 1.00 0.00 O ATOM 1356 CB ASN A 90 3.498 9.181 -6.932 1.00 0.00 C ATOM 1357 CG ASN A 90 3.558 10.510 -7.661 1.00 0.00 C ATOM 1358 OD1 ASN A 90 2.689 11.364 -7.489 1.00 0.00 O ATOM 1359 ND2 ASN A 90 4.587 10.689 -8.481 1.00 0.00 N ATOM 0 H ASN A 90 1.231 10.103 -7.302 1.00 0.00 H new ATOM 0 HA ASN A 90 2.592 7.814 -8.320 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.416 9.361 -5.860 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.430 8.639 -7.094 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.680 11.563 -8.999 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.284 9.953 -8.593 1.00 0.00 H new ATOM 1366 N TRP A 91 2.837 6.211 -6.302 1.00 0.00 N ATOM 1367 CA TRP A 91 2.654 5.128 -5.343 1.00 0.00 C ATOM 1368 C TRP A 91 3.697 5.202 -4.233 1.00 0.00 C ATOM 1369 O TRP A 91 4.857 5.531 -4.480 1.00 0.00 O ATOM 1370 CB TRP A 91 2.738 3.774 -6.049 1.00 0.00 C ATOM 1371 CG TRP A 91 1.592 3.518 -6.980 1.00 0.00 C ATOM 1372 CD1 TRP A 91 1.573 3.719 -8.331 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.299 3.015 -6.629 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.345 3.371 -8.840 1.00 0.00 N ATOM 1375 CE2 TRP A 91 -0.454 2.935 -7.817 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.296 2.621 -5.427 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.770 2.480 -7.835 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.602 2.170 -5.447 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -2.327 2.102 -6.644 1.00 0.00 C ATOM 0 H TRP A 91 3.636 6.092 -6.925 1.00 0.00 H new ATOM 0 HA TRP A 91 1.666 5.236 -4.896 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.671 3.722 -6.610 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.772 2.983 -5.300 1.00 0.00 H new ATOM 0 HD1 TRP A 91 2.401 4.096 -8.913 1.00 0.00 H new ATOM 0 HE1 TRP A 91 0.073 3.428 -9.821 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.255 2.668 -4.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.331 2.427 -8.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.072 1.865 -4.524 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.346 1.744 -6.626 1.00 0.00 H new ATOM 1390 N SER A 92 3.277 4.894 -3.010 1.00 0.00 N ATOM 1391 CA SER A 92 4.174 4.930 -1.862 1.00 0.00 C ATOM 1392 C SER A 92 5.119 3.732 -1.874 1.00 0.00 C ATOM 1393 O SER A 92 4.952 2.803 -2.664 1.00 0.00 O ATOM 1394 CB SER A 92 3.371 4.947 -0.560 1.00 0.00 C ATOM 1395 OG SER A 92 2.796 3.678 -0.298 1.00 0.00 O ATOM 0 H SER A 92 2.321 4.617 -2.789 1.00 0.00 H new ATOM 0 HA SER A 92 4.769 5.841 -1.925 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.020 5.233 0.267 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.585 5.700 -0.624 1.00 0.00 H new ATOM 0 HG SER A 92 2.289 3.715 0.540 1.00 0.00 H new ATOM 1401 N ASP A 93 6.112 3.761 -0.991 1.00 0.00 N ATOM 1402 CA ASP A 93 7.084 2.678 -0.898 1.00 0.00 C ATOM 1403 C ASP A 93 6.407 1.374 -0.487 1.00 0.00 C ATOM 1404 O ASP A 93 6.066 1.181 0.680 1.00 0.00 O ATOM 1405 CB ASP A 93 8.183 3.035 0.104 1.00 0.00 C ATOM 1406 CG ASP A 93 8.914 4.309 -0.268 1.00 0.00 C ATOM 1407 OD1 ASP A 93 9.831 4.242 -1.113 1.00 0.00 O ATOM 1408 OD2 ASP A 93 8.568 5.374 0.285 1.00 0.00 O ATOM 0 H ASP A 93 6.265 4.523 -0.330 1.00 0.00 H new ATOM 0 HA ASP A 93 7.532 2.539 -1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.744 3.148 1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.897 2.214 0.163 1.00 0.00 H new ATOM 1413 N SER A 94 6.214 0.482 -1.454 1.00 0.00 N ATOM 1414 CA SER A 94 5.573 -0.801 -1.193 1.00 0.00 C ATOM 1415 C SER A 94 6.355 -1.597 -0.152 1.00 0.00 C ATOM 1416 O SER A 94 7.551 -1.843 -0.310 1.00 0.00 O ATOM 1417 CB SER A 94 5.457 -1.609 -2.487 1.00 0.00 C ATOM 1418 OG SER A 94 6.730 -1.816 -3.076 1.00 0.00 O ATOM 0 H SER A 94 6.492 0.625 -2.425 1.00 0.00 H new ATOM 0 HA SER A 94 4.574 -0.608 -0.802 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.989 -2.571 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.809 -1.085 -3.189 1.00 0.00 H new ATOM 0 HG SER A 94 7.410 -1.874 -2.373 1.00 0.00 H new ATOM 1424 N LYS A 95 5.670 -1.998 0.914 1.00 0.00 N ATOM 1425 CA LYS A 95 6.296 -2.767 1.982 1.00 0.00 C ATOM 1426 C LYS A 95 5.778 -4.201 1.996 1.00 0.00 C ATOM 1427 O LYS A 95 4.675 -4.478 1.524 1.00 0.00 O ATOM 1428 CB LYS A 95 6.033 -2.105 3.337 1.00 0.00 C ATOM 1429 CG LYS A 95 6.538 -0.676 3.425 1.00 0.00 C ATOM 1430 CD LYS A 95 8.038 -0.629 3.665 1.00 0.00 C ATOM 1431 CE LYS A 95 8.648 0.658 3.131 1.00 0.00 C ATOM 1432 NZ LYS A 95 10.117 0.717 3.370 1.00 0.00 N ATOM 0 H LYS A 95 4.680 -1.802 1.061 1.00 0.00 H new ATOM 0 HA LYS A 95 7.370 -2.789 1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.961 -2.115 3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.507 -2.698 4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.299 -0.147 2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.023 -0.156 4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.239 -0.713 4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.512 -1.485 3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.451 0.737 2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.168 1.513 3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.495 1.609 2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.305 0.667 4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.579 -0.084 2.894 1.00 0.00 H new ATOM 1446 N SER A 96 6.581 -5.110 2.540 1.00 0.00 N ATOM 1447 CA SER A 96 6.204 -6.517 2.613 1.00 0.00 C ATOM 1448 C SER A 96 5.922 -6.931 4.054 1.00 0.00 C ATOM 1449 O SER A 96 6.410 -6.306 4.997 1.00 0.00 O ATOM 1450 CB SER A 96 7.311 -7.395 2.026 1.00 0.00 C ATOM 1451 OG SER A 96 8.592 -6.927 2.412 1.00 0.00 O ATOM 0 H SER A 96 7.496 -4.897 2.937 1.00 0.00 H new ATOM 0 HA SER A 96 5.293 -6.653 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.180 -8.424 2.362 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.236 -7.402 0.939 1.00 0.00 H new ATOM 0 HG SER A 96 9.282 -7.506 2.026 1.00 0.00 H new ATOM 1457 N ILE A 97 5.133 -7.987 4.217 1.00 0.00 N ATOM 1458 CA ILE A 97 4.788 -8.485 5.542 1.00 0.00 C ATOM 1459 C ILE A 97 4.295 -9.927 5.477 1.00 0.00 C ATOM 1460 O ILE A 97 3.585 -10.311 4.546 1.00 0.00 O ATOM 1461 CB ILE A 97 3.705 -7.614 6.206 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.461 -8.074 7.645 1.00 0.00 C ATOM 1463 CG2 ILE A 97 2.415 -7.667 5.401 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.595 -7.125 8.444 1.00 0.00 C ATOM 0 H ILE A 97 4.720 -8.514 3.448 1.00 0.00 H new ATOM 0 HA ILE A 97 5.697 -8.441 6.142 1.00 0.00 H new ATOM 0 HB ILE A 97 4.054 -6.581 6.229 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.990 -9.057 7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.421 -8.189 8.149 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.660 -7.047 5.883 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.600 -7.296 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.060 -8.696 5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.464 -7.514 9.454 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.075 -6.147 8.491 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.621 -7.029 7.963 1.00 0.00 H new ATOM 1476 N THR A 98 4.673 -10.722 6.472 1.00 0.00 N ATOM 1477 CA THR A 98 4.270 -12.121 6.529 1.00 0.00 C ATOM 1478 C THR A 98 3.098 -12.317 7.484 1.00 0.00 C ATOM 1479 O THR A 98 3.278 -12.384 8.700 1.00 0.00 O ATOM 1480 CB THR A 98 5.436 -13.024 6.973 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.522 -12.914 6.047 1.00 0.00 O ATOM 1482 CG2 THR A 98 4.990 -14.476 7.068 1.00 0.00 C ATOM 0 H THR A 98 5.259 -10.420 7.251 1.00 0.00 H new ATOM 0 HA THR A 98 3.965 -12.403 5.521 1.00 0.00 H new ATOM 0 HB THR A 98 5.765 -12.695 7.959 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.260 -13.490 6.338 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.830 -15.095 7.383 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.183 -14.562 7.796 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.637 -14.813 6.093 1.00 0.00 H new ATOM 1490 N THR A 99 1.894 -12.409 6.925 1.00 0.00 N ATOM 1491 CA THR A 99 0.692 -12.597 7.727 1.00 0.00 C ATOM 1492 C THR A 99 0.922 -13.623 8.831 1.00 0.00 C ATOM 1493 O THR A 99 1.881 -14.395 8.784 1.00 0.00 O ATOM 1494 CB THR A 99 -0.497 -13.051 6.859 1.00 0.00 C ATOM 1495 OG1 THR A 99 -0.040 -13.924 5.820 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.208 -11.854 6.246 1.00 0.00 C ATOM 0 H THR A 99 1.727 -12.356 5.920 1.00 0.00 H new ATOM 0 HA THR A 99 0.457 -11.632 8.176 1.00 0.00 H new ATOM 0 HB THR A 99 -1.201 -13.584 7.497 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.585 -14.739 5.814 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.044 -12.200 5.638 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.580 -11.206 7.040 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.510 -11.297 5.621 1.00 0.00 H new ATOM 1504 N ILE A 100 0.037 -13.627 9.822 1.00 0.00 N ATOM 1505 CA ILE A 100 0.144 -14.561 10.937 1.00 0.00 C ATOM 1506 C ILE A 100 -1.142 -15.361 11.108 1.00 0.00 C ATOM 1507 O ILE A 100 -2.214 -14.937 10.675 1.00 0.00 O ATOM 1508 CB ILE A 100 0.460 -13.830 12.255 1.00 0.00 C ATOM 1509 CG1 ILE A 100 -0.742 -12.995 12.701 1.00 0.00 C ATOM 1510 CG2 ILE A 100 1.691 -12.951 12.091 1.00 0.00 C ATOM 1511 CD1 ILE A 100 -0.648 -12.518 14.134 1.00 0.00 C ATOM 0 H ILE A 100 -0.762 -12.995 9.876 1.00 0.00 H new ATOM 0 HA ILE A 100 0.963 -15.240 10.703 1.00 0.00 H new ATOM 0 HB ILE A 100 0.668 -14.573 13.025 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.837 -12.130 12.044 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.650 -13.587 12.582 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.902 -12.441 13.031 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.545 -13.569 11.814 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.509 -12.212 11.310 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.534 -11.933 14.381 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.584 -13.378 14.800 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.241 -11.899 14.254 1.00 0.00 H new ATOM 1523 N LYS A 101 -1.030 -16.522 11.745 1.00 0.00 N ATOM 1524 CA LYS A 101 -2.184 -17.383 11.977 1.00 0.00 C ATOM 1525 C LYS A 101 -3.047 -16.840 13.112 1.00 0.00 C ATOM 1526 O LYS A 101 -3.420 -17.574 14.026 1.00 0.00 O ATOM 1527 CB LYS A 101 -1.727 -18.806 12.306 1.00 0.00 C ATOM 1528 CG LYS A 101 -2.847 -19.830 12.262 1.00 0.00 C ATOM 1529 CD LYS A 101 -3.014 -20.415 10.870 1.00 0.00 C ATOM 1530 CE LYS A 101 -4.267 -21.271 10.771 1.00 0.00 C ATOM 1531 NZ LYS A 101 -4.029 -22.661 11.250 1.00 0.00 N ATOM 0 H LYS A 101 -0.151 -16.889 12.110 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.781 -17.402 11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.949 -19.101 11.602 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.278 -18.814 13.299 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.637 -20.631 12.971 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.781 -19.363 12.576 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.065 -19.608 10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.140 -21.017 10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.065 -20.816 11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.608 -21.297 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.907 -23.212 11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.286 -23.104 10.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.728 -22.638 12.245 1.00 0.00 H new ATOM 1545 N GLY A 102 -3.361 -15.550 13.046 1.00 0.00 N ATOM 1546 CA GLY A 102 -4.179 -14.932 14.073 1.00 0.00 C ATOM 1547 C GLY A 102 -3.521 -14.969 15.438 1.00 0.00 C ATOM 1548 O GLY A 102 -2.415 -14.459 15.615 1.00 0.00 O ATOM 0 H GLY A 102 -3.063 -14.922 12.300 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.381 -13.897 13.798 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.141 -15.442 14.123 1.00 0.00 H new ATOM 1552 N SER A 103 -4.204 -15.571 16.407 1.00 0.00 N ATOM 1553 CA SER A 103 -3.681 -15.667 17.765 1.00 0.00 C ATOM 1554 C SER A 103 -2.882 -16.953 17.950 1.00 0.00 C ATOM 1555 O SER A 103 -1.741 -16.928 18.408 1.00 0.00 O ATOM 1556 CB SER A 103 -4.825 -15.613 18.779 1.00 0.00 C ATOM 1557 OG SER A 103 -5.726 -16.690 18.589 1.00 0.00 O ATOM 0 H SER A 103 -5.120 -15.999 16.277 1.00 0.00 H new ATOM 0 HA SER A 103 -3.016 -14.820 17.933 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.420 -15.647 19.791 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.358 -14.667 18.681 1.00 0.00 H new ATOM 0 HG SER A 103 -6.447 -16.634 19.250 1.00 0.00 H new ATOM 1563 N GLY A 104 -3.491 -18.078 17.589 1.00 0.00 N ATOM 1564 CA GLY A 104 -2.823 -19.360 17.722 1.00 0.00 C ATOM 1565 C GLY A 104 -3.799 -20.516 17.817 1.00 0.00 C ATOM 1566 O GLY A 104 -4.979 -20.336 18.120 1.00 0.00 O ATOM 0 H GLY A 104 -4.435 -18.125 17.207 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.165 -19.514 16.867 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.192 -19.347 18.611 1.00 0.00 H new ATOM 1570 N PRO A 105 -3.307 -21.734 17.551 1.00 0.00 N ATOM 1571 CA PRO A 105 -4.128 -22.948 17.601 1.00 0.00 C ATOM 1572 C PRO A 105 -4.535 -23.315 19.024 1.00 0.00 C ATOM 1573 O PRO A 105 -5.444 -24.118 19.231 1.00 0.00 O ATOM 1574 CB PRO A 105 -3.209 -24.022 17.014 1.00 0.00 C ATOM 1575 CG PRO A 105 -1.829 -23.521 17.270 1.00 0.00 C ATOM 1576 CD PRO A 105 -1.910 -22.022 17.184 1.00 0.00 C ATOM 0 HA PRO A 105 -5.066 -22.828 17.060 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.374 -24.988 17.491 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.389 -24.158 15.948 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.475 -23.837 18.251 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.128 -23.917 16.535 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.208 -21.542 17.866 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.676 -21.664 16.182 1.00 0.00 H new ATOM 1584 N SER A 106 -3.857 -22.721 20.000 1.00 0.00 N ATOM 1585 CA SER A 106 -4.147 -22.988 21.404 1.00 0.00 C ATOM 1586 C SER A 106 -4.594 -21.716 22.118 1.00 0.00 C ATOM 1587 O SER A 106 -3.775 -20.864 22.464 1.00 0.00 O ATOM 1588 CB SER A 106 -2.915 -23.570 22.099 1.00 0.00 C ATOM 1589 OG SER A 106 -2.777 -24.953 21.820 1.00 0.00 O ATOM 0 H SER A 106 -3.103 -22.052 19.845 1.00 0.00 H new ATOM 0 HA SER A 106 -4.959 -23.714 21.450 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.022 -23.038 21.769 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.996 -23.419 23.176 1.00 0.00 H new ATOM 0 HG SER A 106 -1.981 -25.301 22.274 1.00 0.00 H new ATOM 1595 N SER A 107 -5.900 -21.594 22.335 1.00 0.00 N ATOM 1596 CA SER A 107 -6.458 -20.425 23.005 1.00 0.00 C ATOM 1597 C SER A 107 -6.669 -20.699 24.491 1.00 0.00 C ATOM 1598 O SER A 107 -7.431 -21.588 24.867 1.00 0.00 O ATOM 1599 CB SER A 107 -7.783 -20.024 22.355 1.00 0.00 C ATOM 1600 OG SER A 107 -8.146 -18.701 22.712 1.00 0.00 O ATOM 0 H SER A 107 -6.591 -22.290 22.057 1.00 0.00 H new ATOM 0 HA SER A 107 -5.748 -19.604 22.903 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.698 -20.101 21.271 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.567 -20.715 22.663 1.00 0.00 H new ATOM 0 HG SER A 107 -8.995 -18.468 22.283 1.00 0.00 H new ATOM 1606 N GLY A 108 -5.987 -19.927 25.331 1.00 0.00 N ATOM 1607 CA GLY A 108 -6.113 -20.101 26.767 1.00 0.00 C ATOM 1608 C GLY A 108 -4.887 -19.622 27.518 1.00 0.00 C ATOM 1609 O GLY A 108 -4.655 -18.419 27.637 1.00 0.00 O ATOM 0 H GLY A 108 -5.350 -19.184 25.043 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.988 -19.556 27.121 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.283 -21.155 26.989 1.00 0.00 H new TER 1613 GLY A 108