USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 11 HIS : no HE2:sc= -2.38! X(o=-2.4!,f=-2.2) USER MOD Single : A 14 GLN : amide:sc= 0.00349 X(o=0.0035,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0591 X(o=-0.059,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -129:sc= -0.201 (180deg=-3.88!) USER MOD Single : A 31 CYS SG : rot 27:sc= 0.333 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 44:sc= 0.0395 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1.7) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 177:sc= 0 (180deg=-0.00291) USER MOD Single : A 63 ASN : amide:sc= -2.04! K(o=-2!,f=0.22) USER MOD Single : A 66 HIS : no HE2:sc= -1.35 X(o=-1.3,f=-1.3) USER MOD Single : A 67 SER OG : rot 10:sc= 0.609 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 171:sc= 1.57 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -106:sc= -1.22 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.071 K(o=-0.071,f=-7.4!) USER MOD Single : A 91 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.9!) USER MOD Single : A 92 ASN : amide:sc= -0.0776 K(o=-0.078,f=-2.9!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 135:sc= -0.107 (180deg=-0.974) USER MOD Single : A 105 SER OG : rot 25:sc= 0.87 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.826 36.356 7.256 1.00 0.00 N ATOM 2 CA GLY A 1 -2.809 37.379 7.415 1.00 0.00 C ATOM 3 C GLY A 1 -1.631 36.901 8.242 1.00 0.00 C ATOM 4 O GLY A 1 -0.502 36.850 7.754 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.609 36.731 6.684 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.414 35.528 6.779 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.184 36.074 8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.456 37.692 6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.250 38.255 7.889 1.00 0.00 H new ATOM 8 N SER A 2 -1.893 36.552 9.497 1.00 0.00 N ATOM 9 CA SER A 2 -0.845 36.082 10.395 1.00 0.00 C ATOM 10 C SER A 2 -0.626 34.580 10.234 1.00 0.00 C ATOM 11 O SER A 2 0.506 34.120 10.082 1.00 0.00 O ATOM 12 CB SER A 2 -1.204 36.404 11.846 1.00 0.00 C ATOM 13 OG SER A 2 -1.067 37.790 12.110 1.00 0.00 O ATOM 0 H SER A 2 -2.823 36.586 9.915 1.00 0.00 H new ATOM 0 HA SER A 2 0.080 36.597 10.135 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.228 36.092 12.048 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.559 35.837 12.518 1.00 0.00 H new ATOM 0 HG SER A 2 -1.304 37.970 13.044 1.00 0.00 H new ATOM 19 N SER A 3 -1.717 33.822 10.270 1.00 0.00 N ATOM 20 CA SER A 3 -1.645 32.372 10.133 1.00 0.00 C ATOM 21 C SER A 3 -2.011 31.942 8.716 1.00 0.00 C ATOM 22 O SER A 3 -2.909 32.509 8.095 1.00 0.00 O ATOM 23 CB SER A 3 -2.578 31.697 11.140 1.00 0.00 C ATOM 24 OG SER A 3 -2.128 30.391 11.456 1.00 0.00 O ATOM 0 H SER A 3 -2.661 34.188 10.393 1.00 0.00 H new ATOM 0 HA SER A 3 -0.619 32.063 10.335 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.632 32.296 12.049 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.587 31.648 10.730 1.00 0.00 H new ATOM 0 HG SER A 3 -2.740 29.982 12.103 1.00 0.00 H new ATOM 30 N GLY A 4 -1.307 30.934 8.210 1.00 0.00 N ATOM 31 CA GLY A 4 -1.571 30.444 6.869 1.00 0.00 C ATOM 32 C GLY A 4 -0.359 29.780 6.246 1.00 0.00 C ATOM 33 O GLY A 4 0.094 30.181 5.174 1.00 0.00 O ATOM 0 H GLY A 4 -0.559 30.448 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.395 29.732 6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.891 31.274 6.239 1.00 0.00 H new ATOM 37 N SER A 5 0.168 28.762 6.919 1.00 0.00 N ATOM 38 CA SER A 5 1.338 28.045 6.427 1.00 0.00 C ATOM 39 C SER A 5 1.157 27.647 4.965 1.00 0.00 C ATOM 40 O SER A 5 0.041 27.642 4.446 1.00 0.00 O ATOM 41 CB SER A 5 1.595 26.800 7.278 1.00 0.00 C ATOM 42 OG SER A 5 2.042 27.152 8.576 1.00 0.00 O ATOM 0 H SER A 5 -0.197 28.415 7.806 1.00 0.00 H new ATOM 0 HA SER A 5 2.198 28.711 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.681 26.211 7.352 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.340 26.171 6.792 1.00 0.00 H new ATOM 0 HG SER A 5 2.197 26.339 9.100 1.00 0.00 H new ATOM 48 N SER A 6 2.263 27.313 4.307 1.00 0.00 N ATOM 49 CA SER A 6 2.228 26.918 2.904 1.00 0.00 C ATOM 50 C SER A 6 2.312 25.401 2.766 1.00 0.00 C ATOM 51 O SER A 6 2.602 24.693 3.730 1.00 0.00 O ATOM 52 CB SER A 6 3.376 27.576 2.138 1.00 0.00 C ATOM 53 OG SER A 6 4.612 26.950 2.434 1.00 0.00 O ATOM 0 H SER A 6 3.194 27.308 4.723 1.00 0.00 H new ATOM 0 HA SER A 6 1.281 27.252 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.183 27.518 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.430 28.634 2.395 1.00 0.00 H new ATOM 0 HG SER A 6 5.329 27.388 1.930 1.00 0.00 H new ATOM 59 N GLY A 7 2.057 24.908 1.557 1.00 0.00 N ATOM 60 CA GLY A 7 2.110 23.478 1.313 1.00 0.00 C ATOM 61 C GLY A 7 3.524 22.979 1.094 1.00 0.00 C ATOM 62 O GLY A 7 4.399 23.736 0.674 1.00 0.00 O ATOM 0 H GLY A 7 1.815 25.473 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.669 22.952 2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.504 23.239 0.439 1.00 0.00 H new ATOM 66 N PHE A 8 3.749 21.701 1.380 1.00 0.00 N ATOM 67 CA PHE A 8 5.068 21.101 1.215 1.00 0.00 C ATOM 68 C PHE A 8 5.024 19.961 0.202 1.00 0.00 C ATOM 69 O PHE A 8 4.093 19.155 0.199 1.00 0.00 O ATOM 70 CB PHE A 8 5.590 20.586 2.557 1.00 0.00 C ATOM 71 CG PHE A 8 5.291 21.503 3.709 1.00 0.00 C ATOM 72 CD1 PHE A 8 6.175 22.511 4.057 1.00 0.00 C ATOM 73 CD2 PHE A 8 4.125 21.357 4.443 1.00 0.00 C ATOM 74 CE1 PHE A 8 5.902 23.355 5.116 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.846 22.199 5.503 1.00 0.00 C ATOM 76 CZ PHE A 8 4.736 23.200 5.839 1.00 0.00 C ATOM 0 H PHE A 8 3.035 21.061 1.727 1.00 0.00 H new ATOM 0 HA PHE A 8 5.745 21.870 0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.151 19.609 2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.668 20.443 2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.088 22.639 3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.426 20.576 4.184 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.600 24.136 5.378 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.934 22.074 6.067 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.520 23.860 6.666 1.00 0.00 H new ATOM 86 N ARG A 9 6.036 19.901 -0.657 1.00 0.00 N ATOM 87 CA ARG A 9 6.113 18.861 -1.676 1.00 0.00 C ATOM 88 C ARG A 9 5.825 17.488 -1.075 1.00 0.00 C ATOM 89 O ARG A 9 6.267 17.161 0.026 1.00 0.00 O ATOM 90 CB ARG A 9 7.494 18.862 -2.334 1.00 0.00 C ATOM 91 CG ARG A 9 7.554 18.065 -3.626 1.00 0.00 C ATOM 92 CD ARG A 9 8.951 18.080 -4.226 1.00 0.00 C ATOM 93 NE ARG A 9 9.238 16.861 -4.977 1.00 0.00 N ATOM 94 CZ ARG A 9 10.357 16.669 -5.667 1.00 0.00 C ATOM 95 NH1 ARG A 9 11.289 17.611 -5.700 1.00 0.00 N ATOM 96 NH2 ARG A 9 10.545 15.532 -6.325 1.00 0.00 N ATOM 0 H ARG A 9 6.814 20.560 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 9 5.358 19.073 -2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.789 19.891 -2.538 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.222 18.455 -1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.250 17.036 -3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.845 18.478 -4.343 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.054 18.943 -4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.686 18.197 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 9 8.541 16.116 -4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.148 18.486 -5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.147 17.461 -6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.830 14.805 -6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.404 15.385 -6.855 1.00 0.00 H new ATOM 110 N PRO A 10 5.066 16.666 -1.814 1.00 0.00 N ATOM 111 CA PRO A 10 4.703 15.315 -1.374 1.00 0.00 C ATOM 112 C PRO A 10 5.896 14.367 -1.367 1.00 0.00 C ATOM 113 O PRO A 10 6.443 14.033 -2.419 1.00 0.00 O ATOM 114 CB PRO A 10 3.671 14.869 -2.414 1.00 0.00 C ATOM 115 CG PRO A 10 3.991 15.666 -3.631 1.00 0.00 C ATOM 116 CD PRO A 10 4.505 16.990 -3.136 1.00 0.00 C ATOM 0 HA PRO A 10 4.328 15.307 -0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.744 13.799 -2.611 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.654 15.061 -2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.739 15.161 -4.243 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.107 15.799 -4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.262 17.402 -3.804 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.707 17.729 -3.064 1.00 0.00 H new ATOM 124 N HIS A 11 6.296 13.935 -0.175 1.00 0.00 N ATOM 125 CA HIS A 11 7.426 13.023 -0.032 1.00 0.00 C ATOM 126 C HIS A 11 7.121 11.938 0.996 1.00 0.00 C ATOM 127 O HIS A 11 6.602 12.220 2.076 1.00 0.00 O ATOM 128 CB HIS A 11 8.681 13.793 0.378 1.00 0.00 C ATOM 129 CG HIS A 11 9.692 12.952 1.095 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.908 12.604 0.545 1.00 0.00 N ATOM 131 CD2 HIS A 11 9.663 12.389 2.326 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.582 11.863 1.406 1.00 0.00 C ATOM 133 NE2 HIS A 11 10.849 11.718 2.495 1.00 0.00 N ATOM 0 H HIS A 11 5.855 14.201 0.705 1.00 0.00 H new ATOM 0 HA HIS A 11 7.601 12.546 -0.996 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.142 14.221 -0.512 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.393 14.626 1.019 1.00 0.00 H new ATOM 0 HD1 HIS A 11 11.236 12.876 -0.382 1.00 0.00 H new ATOM 0 HD2 HIS A 11 8.857 12.455 3.042 1.00 0.00 H new ATOM 0 HE1 HIS A 11 12.566 11.446 1.247 1.00 0.00 H new ATOM 141 N PHE A 12 7.446 10.696 0.653 1.00 0.00 N ATOM 142 CA PHE A 12 7.205 9.568 1.545 1.00 0.00 C ATOM 143 C PHE A 12 8.375 9.375 2.506 1.00 0.00 C ATOM 144 O PHE A 12 9.454 8.935 2.107 1.00 0.00 O ATOM 145 CB PHE A 12 6.979 8.289 0.737 1.00 0.00 C ATOM 146 CG PHE A 12 5.853 8.397 -0.253 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.549 8.125 0.129 1.00 0.00 C ATOM 148 CD2 PHE A 12 6.100 8.770 -1.564 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.512 8.224 -0.778 1.00 0.00 C ATOM 150 CE2 PHE A 12 5.066 8.871 -2.476 1.00 0.00 C ATOM 151 CZ PHE A 12 3.770 8.596 -2.083 1.00 0.00 C ATOM 0 H PHE A 12 7.877 10.445 -0.237 1.00 0.00 H new ATOM 0 HA PHE A 12 6.310 9.784 2.128 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.897 8.037 0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.772 7.467 1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.341 7.832 1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.111 8.984 -1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.500 8.011 -0.467 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.271 9.165 -3.495 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.961 8.672 -2.794 1.00 0.00 H new ATOM 161 N LEU A 13 8.154 9.709 3.772 1.00 0.00 N ATOM 162 CA LEU A 13 9.189 9.573 4.791 1.00 0.00 C ATOM 163 C LEU A 13 9.613 8.116 4.947 1.00 0.00 C ATOM 164 O LEU A 13 10.803 7.810 5.014 1.00 0.00 O ATOM 165 CB LEU A 13 8.689 10.117 6.131 1.00 0.00 C ATOM 166 CG LEU A 13 8.361 11.610 6.169 1.00 0.00 C ATOM 167 CD1 LEU A 13 7.692 11.976 7.485 1.00 0.00 C ATOM 168 CD2 LEU A 13 9.620 12.438 5.960 1.00 0.00 C ATOM 0 H LEU A 13 7.267 10.076 4.118 1.00 0.00 H new ATOM 0 HA LEU A 13 10.056 10.152 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.795 9.562 6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.446 9.912 6.889 1.00 0.00 H new ATOM 0 HG LEU A 13 7.667 11.831 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.466 13.042 7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.768 11.408 7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.362 11.740 8.312 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.368 13.498 5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.338 12.214 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.058 12.197 4.991 1.00 0.00 H new ATOM 180 N GLN A 14 8.630 7.222 5.002 1.00 0.00 N ATOM 181 CA GLN A 14 8.902 5.797 5.149 1.00 0.00 C ATOM 182 C GLN A 14 8.190 4.994 4.065 1.00 0.00 C ATOM 183 O GLN A 14 6.982 5.125 3.874 1.00 0.00 O ATOM 184 CB GLN A 14 8.463 5.312 6.531 1.00 0.00 C ATOM 185 CG GLN A 14 9.279 4.140 7.052 1.00 0.00 C ATOM 186 CD GLN A 14 9.124 3.940 8.547 1.00 0.00 C ATOM 187 OE1 GLN A 14 9.700 4.678 9.347 1.00 0.00 O ATOM 188 NE2 GLN A 14 8.343 2.937 8.932 1.00 0.00 N ATOM 0 H GLN A 14 7.640 7.459 4.947 1.00 0.00 H new ATOM 0 HA GLN A 14 9.976 5.644 5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.538 6.139 7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.413 5.023 6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.974 3.231 6.534 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.331 4.302 6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.885 2.350 8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.201 2.753 9.925 1.00 0.00 H new ATOM 197 N ALA A 15 8.949 4.162 3.359 1.00 0.00 N ATOM 198 CA ALA A 15 8.390 3.335 2.295 1.00 0.00 C ATOM 199 C ALA A 15 8.791 1.874 2.467 1.00 0.00 C ATOM 200 O ALA A 15 9.897 1.557 2.906 1.00 0.00 O ATOM 201 CB ALA A 15 8.838 3.851 0.936 1.00 0.00 C ATOM 0 H ALA A 15 9.952 4.043 3.504 1.00 0.00 H new ATOM 0 HA ALA A 15 7.303 3.395 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.414 3.225 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.496 4.878 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.926 3.821 0.876 1.00 0.00 H new ATOM 207 N PRO A 16 7.873 0.962 2.116 1.00 0.00 N ATOM 208 CA PRO A 16 8.109 -0.480 2.223 1.00 0.00 C ATOM 209 C PRO A 16 9.133 -0.977 1.208 1.00 0.00 C ATOM 210 O PRO A 16 9.641 -0.206 0.396 1.00 0.00 O ATOM 211 CB PRO A 16 6.733 -1.087 1.934 1.00 0.00 C ATOM 212 CG PRO A 16 6.035 -0.065 1.105 1.00 0.00 C ATOM 213 CD PRO A 16 6.534 1.269 1.586 1.00 0.00 C ATOM 0 HA PRO A 16 8.516 -0.755 3.196 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.822 -2.034 1.402 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.188 -1.289 2.856 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.254 -0.205 0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.954 -0.142 1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.580 1.997 0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.884 1.688 2.354 1.00 0.00 H new ATOM 221 N GLY A 17 9.432 -2.272 1.261 1.00 0.00 N ATOM 222 CA GLY A 17 10.394 -2.849 0.341 1.00 0.00 C ATOM 223 C GLY A 17 9.995 -4.238 -0.120 1.00 0.00 C ATOM 224 O GLY A 17 8.854 -4.462 -0.521 1.00 0.00 O ATOM 0 H GLY A 17 9.025 -2.931 1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.498 -2.198 -0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.370 -2.896 0.823 1.00 0.00 H new ATOM 228 N ASP A 18 10.939 -5.171 -0.063 1.00 0.00 N ATOM 229 CA ASP A 18 10.681 -6.545 -0.478 1.00 0.00 C ATOM 230 C ASP A 18 10.102 -7.361 0.674 1.00 0.00 C ATOM 231 O ASP A 18 10.827 -7.776 1.580 1.00 0.00 O ATOM 232 CB ASP A 18 11.967 -7.197 -0.986 1.00 0.00 C ATOM 233 CG ASP A 18 13.185 -6.771 -0.190 1.00 0.00 C ATOM 234 OD1 ASP A 18 13.074 -6.655 1.048 1.00 0.00 O ATOM 235 OD2 ASP A 18 14.250 -6.553 -0.806 1.00 0.00 O ATOM 0 H ASP A 18 11.889 -5.001 0.266 1.00 0.00 H new ATOM 0 HA ASP A 18 9.951 -6.523 -1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.865 -8.281 -0.937 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.113 -6.938 -2.035 1.00 0.00 H new ATOM 240 N LEU A 19 8.794 -7.587 0.634 1.00 0.00 N ATOM 241 CA LEU A 19 8.118 -8.353 1.675 1.00 0.00 C ATOM 242 C LEU A 19 7.685 -9.719 1.152 1.00 0.00 C ATOM 243 O LEU A 19 7.540 -9.917 -0.054 1.00 0.00 O ATOM 244 CB LEU A 19 6.901 -7.584 2.192 1.00 0.00 C ATOM 245 CG LEU A 19 7.153 -6.139 2.622 1.00 0.00 C ATOM 246 CD1 LEU A 19 5.838 -5.396 2.797 1.00 0.00 C ATOM 247 CD2 LEU A 19 7.965 -6.099 3.909 1.00 0.00 C ATOM 0 H LEU A 19 8.180 -7.251 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 19 8.821 -8.504 2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.139 -7.582 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.487 -8.128 3.041 1.00 0.00 H new ATOM 0 HG LEU A 19 7.725 -5.643 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.038 -4.369 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.293 -5.393 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.239 -5.892 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.135 -5.062 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.419 -6.613 4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.924 -6.593 3.750 1.00 0.00 H new ATOM 259 N THR A 20 7.480 -10.660 2.069 1.00 0.00 N ATOM 260 CA THR A 20 7.063 -12.007 1.701 1.00 0.00 C ATOM 261 C THR A 20 5.937 -12.500 2.603 1.00 0.00 C ATOM 262 O THR A 20 6.073 -12.525 3.826 1.00 0.00 O ATOM 263 CB THR A 20 8.238 -13.000 1.779 1.00 0.00 C ATOM 264 OG1 THR A 20 9.412 -12.415 1.203 1.00 0.00 O ATOM 265 CG2 THR A 20 7.902 -14.294 1.054 1.00 0.00 C ATOM 0 H THR A 20 7.596 -10.514 3.072 1.00 0.00 H new ATOM 0 HA THR A 20 6.706 -11.957 0.672 1.00 0.00 H new ATOM 0 HB THR A 20 8.423 -13.228 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.155 -13.052 1.258 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.747 -14.979 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.025 -14.751 1.513 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.693 -14.080 0.006 1.00 0.00 H new ATOM 273 N VAL A 21 4.823 -12.891 1.991 1.00 0.00 N ATOM 274 CA VAL A 21 3.673 -13.385 2.738 1.00 0.00 C ATOM 275 C VAL A 21 3.056 -14.602 2.057 1.00 0.00 C ATOM 276 O VAL A 21 2.738 -14.564 0.869 1.00 0.00 O ATOM 277 CB VAL A 21 2.595 -12.296 2.895 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.285 -12.906 3.368 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.067 -11.214 3.854 1.00 0.00 C ATOM 0 H VAL A 21 4.693 -12.875 0.979 1.00 0.00 H new ATOM 0 HA VAL A 21 4.036 -13.670 3.725 1.00 0.00 H new ATOM 0 HB VAL A 21 2.423 -11.836 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.535 -12.122 3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.942 -13.641 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.437 -13.394 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.293 -10.453 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.269 -11.656 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.978 -10.757 3.467 1.00 0.00 H new ATOM 289 N GLN A 22 2.890 -15.678 2.818 1.00 0.00 N ATOM 290 CA GLN A 22 2.311 -16.907 2.287 1.00 0.00 C ATOM 291 C GLN A 22 0.830 -16.719 1.973 1.00 0.00 C ATOM 292 O GLN A 22 0.101 -16.081 2.732 1.00 0.00 O ATOM 293 CB GLN A 22 2.491 -18.053 3.284 1.00 0.00 C ATOM 294 CG GLN A 22 1.964 -19.387 2.779 1.00 0.00 C ATOM 295 CD GLN A 22 1.762 -20.394 3.894 1.00 0.00 C ATOM 296 OE1 GLN A 22 2.383 -21.457 3.905 1.00 0.00 O ATOM 297 NE2 GLN A 22 0.890 -20.064 4.840 1.00 0.00 N ATOM 0 H GLN A 22 3.148 -15.724 3.804 1.00 0.00 H new ATOM 0 HA GLN A 22 2.832 -17.154 1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.550 -18.156 3.519 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.981 -17.799 4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.017 -19.227 2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.661 -19.795 2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.397 -19.172 4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.713 -20.702 5.616 1.00 0.00 H new ATOM 306 N GLU A 23 0.393 -17.278 0.849 1.00 0.00 N ATOM 307 CA GLU A 23 -1.001 -17.170 0.435 1.00 0.00 C ATOM 308 C GLU A 23 -1.939 -17.547 1.578 1.00 0.00 C ATOM 309 O GLU A 23 -1.724 -18.541 2.269 1.00 0.00 O ATOM 310 CB GLU A 23 -1.267 -18.068 -0.775 1.00 0.00 C ATOM 311 CG GLU A 23 -2.630 -17.846 -1.410 1.00 0.00 C ATOM 312 CD GLU A 23 -3.113 -19.052 -2.192 1.00 0.00 C ATOM 313 OE1 GLU A 23 -2.747 -19.173 -3.380 1.00 0.00 O ATOM 314 OE2 GLU A 23 -3.857 -19.873 -1.616 1.00 0.00 O ATOM 0 H GLU A 23 0.983 -17.810 0.209 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.192 -16.133 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.494 -17.893 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.184 -19.111 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.355 -17.608 -0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.581 -16.983 -2.074 1.00 0.00 H new ATOM 321 N GLY A 24 -2.981 -16.743 1.770 1.00 0.00 N ATOM 322 CA GLY A 24 -3.936 -17.007 2.830 1.00 0.00 C ATOM 323 C GLY A 24 -3.482 -16.461 4.169 1.00 0.00 C ATOM 324 O GLY A 24 -3.807 -17.018 5.218 1.00 0.00 O ATOM 0 H GLY A 24 -3.180 -15.914 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.897 -16.564 2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.093 -18.082 2.914 1.00 0.00 H new ATOM 328 N LYS A 25 -2.726 -15.369 4.135 1.00 0.00 N ATOM 329 CA LYS A 25 -2.225 -14.746 5.355 1.00 0.00 C ATOM 330 C LYS A 25 -2.563 -13.259 5.385 1.00 0.00 C ATOM 331 O LYS A 25 -3.053 -12.703 4.401 1.00 0.00 O ATOM 332 CB LYS A 25 -0.711 -14.938 5.465 1.00 0.00 C ATOM 333 CG LYS A 25 -0.296 -16.383 5.683 1.00 0.00 C ATOM 334 CD LYS A 25 -0.358 -16.766 7.152 1.00 0.00 C ATOM 335 CE LYS A 25 0.901 -16.341 7.893 1.00 0.00 C ATOM 336 NZ LYS A 25 1.959 -17.387 7.833 1.00 0.00 N ATOM 0 H LYS A 25 -2.446 -14.897 3.275 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.709 -15.228 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.239 -14.566 4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.335 -14.332 6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.947 -17.040 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.717 -16.532 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.228 -16.300 7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.488 -17.844 7.243 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.281 -15.415 7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.656 -16.131 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.800 -17.060 8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.606 -18.264 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.211 -17.569 6.841 1.00 0.00 H new ATOM 350 N LEU A 26 -2.297 -12.620 6.519 1.00 0.00 N ATOM 351 CA LEU A 26 -2.572 -11.196 6.676 1.00 0.00 C ATOM 352 C LEU A 26 -1.435 -10.355 6.104 1.00 0.00 C ATOM 353 O LEU A 26 -0.261 -10.618 6.369 1.00 0.00 O ATOM 354 CB LEU A 26 -2.778 -10.856 8.153 1.00 0.00 C ATOM 355 CG LEU A 26 -3.156 -9.407 8.463 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.974 -8.483 8.219 1.00 0.00 C ATOM 357 CD2 LEU A 26 -4.352 -8.978 7.626 1.00 0.00 C ATOM 0 H LEU A 26 -1.892 -13.065 7.343 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.484 -10.965 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.558 -11.506 8.549 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.860 -11.094 8.691 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.431 -9.341 9.516 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.262 -7.456 8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.144 -8.777 8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.667 -8.552 7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.607 -7.944 7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.104 -9.060 6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.203 -9.621 7.850 1.00 0.00 H new ATOM 369 N CYS A 27 -1.790 -9.343 5.320 1.00 0.00 N ATOM 370 CA CYS A 27 -0.799 -8.463 4.712 1.00 0.00 C ATOM 371 C CYS A 27 -1.121 -7.000 5.000 1.00 0.00 C ATOM 372 O CYS A 27 -2.252 -6.553 4.805 1.00 0.00 O ATOM 373 CB CYS A 27 -0.739 -8.696 3.201 1.00 0.00 C ATOM 374 SG CYS A 27 0.268 -7.489 2.308 1.00 0.00 S ATOM 0 H CYS A 27 -2.757 -9.112 5.091 1.00 0.00 H new ATOM 0 HA CYS A 27 0.173 -8.695 5.148 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.343 -9.694 3.013 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.752 -8.675 2.800 1.00 0.00 H new ATOM 0 HG CYS A 27 0.259 -7.770 1.039 1.00 0.00 H new ATOM 380 N ARG A 28 -0.121 -6.261 5.468 1.00 0.00 N ATOM 381 CA ARG A 28 -0.299 -4.849 5.786 1.00 0.00 C ATOM 382 C ARG A 28 0.904 -4.032 5.324 1.00 0.00 C ATOM 383 O ARG A 28 2.051 -4.443 5.500 1.00 0.00 O ATOM 384 CB ARG A 28 -0.505 -4.666 7.291 1.00 0.00 C ATOM 385 CG ARG A 28 -0.646 -3.213 7.714 1.00 0.00 C ATOM 386 CD ARG A 28 -0.453 -3.048 9.213 1.00 0.00 C ATOM 387 NE ARG A 28 -0.489 -1.645 9.619 1.00 0.00 N ATOM 388 CZ ARG A 28 -0.784 -1.244 10.850 1.00 0.00 C ATOM 389 NH1 ARG A 28 -1.068 -2.134 11.791 1.00 0.00 N ATOM 390 NH2 ARG A 28 -0.796 0.051 11.142 1.00 0.00 N ATOM 0 H ARG A 28 0.820 -6.616 5.635 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.183 -4.492 5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.397 -5.213 7.596 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.338 -5.110 7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.087 -2.606 7.183 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.632 -2.844 7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.232 -3.598 9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.501 -3.486 9.506 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.276 -0.935 8.919 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.060 -3.130 11.570 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.294 -1.823 12.736 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.579 0.739 10.421 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.023 0.358 12.088 1.00 0.00 H new ATOM 404 N MET A 29 0.634 -2.873 4.732 1.00 0.00 N ATOM 405 CA MET A 29 1.694 -1.998 4.245 1.00 0.00 C ATOM 406 C MET A 29 1.646 -0.644 4.945 1.00 0.00 C ATOM 407 O MET A 29 0.598 0.000 5.000 1.00 0.00 O ATOM 408 CB MET A 29 1.573 -1.808 2.732 1.00 0.00 C ATOM 409 CG MET A 29 1.798 -3.085 1.938 1.00 0.00 C ATOM 410 SD MET A 29 2.181 -2.767 0.205 1.00 0.00 S ATOM 411 CE MET A 29 1.639 -4.299 -0.548 1.00 0.00 C ATOM 0 H MET A 29 -0.310 -2.518 4.578 1.00 0.00 H new ATOM 0 HA MET A 29 2.651 -2.469 4.469 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.582 -1.417 2.502 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.295 -1.058 2.410 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.614 -3.649 2.389 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.906 -3.709 2.000 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.435 -4.697 -1.177 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.397 -5.022 0.231 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.755 -4.112 -1.157 1.00 0.00 H new ATOM 421 N ASP A 30 2.785 -0.218 5.479 1.00 0.00 N ATOM 422 CA ASP A 30 2.873 1.060 6.175 1.00 0.00 C ATOM 423 C ASP A 30 3.692 2.063 5.369 1.00 0.00 C ATOM 424 O ASP A 30 4.820 1.775 4.965 1.00 0.00 O ATOM 425 CB ASP A 30 3.494 0.870 7.560 1.00 0.00 C ATOM 426 CG ASP A 30 4.948 0.446 7.488 1.00 0.00 C ATOM 427 OD1 ASP A 30 5.207 -0.746 7.220 1.00 0.00 O ATOM 428 OD2 ASP A 30 5.828 1.307 7.699 1.00 0.00 O ATOM 0 H ASP A 30 3.661 -0.739 5.443 1.00 0.00 H new ATOM 0 HA ASP A 30 1.863 1.453 6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.417 1.802 8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.926 0.119 8.110 1.00 0.00 H new ATOM 433 N CYS A 31 3.119 3.238 5.139 1.00 0.00 N ATOM 434 CA CYS A 31 3.796 4.284 4.379 1.00 0.00 C ATOM 435 C CYS A 31 3.300 5.665 4.795 1.00 0.00 C ATOM 436 O CYS A 31 2.097 5.925 4.816 1.00 0.00 O ATOM 437 CB CYS A 31 3.573 4.078 2.880 1.00 0.00 C ATOM 438 SG CYS A 31 1.851 4.252 2.359 1.00 0.00 S ATOM 0 H CYS A 31 2.187 3.491 5.467 1.00 0.00 H new ATOM 0 HA CYS A 31 4.863 4.222 4.592 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.182 4.796 2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.926 3.084 2.604 1.00 0.00 H new ATOM 0 HG CYS A 31 1.225 5.037 3.185 1.00 0.00 H new ATOM 444 N LYS A 32 4.236 6.548 5.127 1.00 0.00 N ATOM 445 CA LYS A 32 3.897 7.904 5.543 1.00 0.00 C ATOM 446 C LYS A 32 4.312 8.918 4.482 1.00 0.00 C ATOM 447 O LYS A 32 5.293 8.717 3.766 1.00 0.00 O ATOM 448 CB LYS A 32 4.574 8.235 6.874 1.00 0.00 C ATOM 449 CG LYS A 32 4.184 7.300 8.005 1.00 0.00 C ATOM 450 CD LYS A 32 4.265 7.993 9.355 1.00 0.00 C ATOM 451 CE LYS A 32 5.708 8.184 9.797 1.00 0.00 C ATOM 452 NZ LYS A 32 6.210 7.014 10.570 1.00 0.00 N ATOM 0 H LYS A 32 5.236 6.349 5.116 1.00 0.00 H new ATOM 0 HA LYS A 32 2.816 7.959 5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.655 8.199 6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.322 9.257 7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.170 6.935 7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.841 6.430 8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.769 8.962 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.730 7.404 10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.339 8.339 8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.785 9.083 10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.196 7.182 10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.624 6.881 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.161 6.160 9.978 1.00 0.00 H new ATOM 466 N VAL A 33 3.560 10.010 4.388 1.00 0.00 N ATOM 467 CA VAL A 33 3.852 11.058 3.416 1.00 0.00 C ATOM 468 C VAL A 33 3.666 12.442 4.028 1.00 0.00 C ATOM 469 O VAL A 33 2.614 12.747 4.590 1.00 0.00 O ATOM 470 CB VAL A 33 2.954 10.934 2.171 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.486 10.988 2.563 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.286 12.026 1.165 1.00 0.00 C ATOM 0 H VAL A 33 2.744 10.192 4.973 1.00 0.00 H new ATOM 0 HA VAL A 33 4.893 10.933 3.118 1.00 0.00 H new ATOM 0 HB VAL A 33 3.144 9.969 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.867 10.899 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.261 10.167 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.276 11.937 3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.642 11.924 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.125 13.003 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.329 11.935 0.860 1.00 0.00 H new ATOM 482 N SER A 34 4.694 13.276 3.915 1.00 0.00 N ATOM 483 CA SER A 34 4.646 14.628 4.460 1.00 0.00 C ATOM 484 C SER A 34 4.220 15.630 3.391 1.00 0.00 C ATOM 485 O SER A 34 4.850 15.737 2.339 1.00 0.00 O ATOM 486 CB SER A 34 6.010 15.020 5.029 1.00 0.00 C ATOM 487 OG SER A 34 7.055 14.658 4.143 1.00 0.00 O ATOM 0 H SER A 34 5.571 13.040 3.451 1.00 0.00 H new ATOM 0 HA SER A 34 3.908 14.644 5.262 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.037 16.095 5.209 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.160 14.532 5.992 1.00 0.00 H new ATOM 0 HG SER A 34 6.803 14.893 3.226 1.00 0.00 H new ATOM 493 N GLY A 35 3.145 16.362 3.668 1.00 0.00 N ATOM 494 CA GLY A 35 2.653 17.345 2.722 1.00 0.00 C ATOM 495 C GLY A 35 1.446 18.099 3.244 1.00 0.00 C ATOM 496 O GLY A 35 0.772 17.642 4.168 1.00 0.00 O ATOM 0 H GLY A 35 2.606 16.291 4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.449 18.054 2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.391 16.847 1.789 1.00 0.00 H new ATOM 500 N LEU A 36 1.173 19.257 2.653 1.00 0.00 N ATOM 501 CA LEU A 36 0.039 20.077 3.065 1.00 0.00 C ATOM 502 C LEU A 36 -0.505 20.885 1.891 1.00 0.00 C ATOM 503 O LEU A 36 0.226 21.602 1.208 1.00 0.00 O ATOM 504 CB LEU A 36 0.451 21.018 4.199 1.00 0.00 C ATOM 505 CG LEU A 36 -0.691 21.701 4.952 1.00 0.00 C ATOM 506 CD1 LEU A 36 -0.245 22.101 6.350 1.00 0.00 C ATOM 507 CD2 LEU A 36 -1.188 22.916 4.181 1.00 0.00 C ATOM 0 H LEU A 36 1.721 19.649 1.887 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.748 19.412 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.045 20.452 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.100 21.790 3.786 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.514 20.992 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.071 22.586 6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.061 21.213 6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.595 22.792 6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.001 23.389 4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.371 23.627 4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.548 22.603 3.201 1.00 0.00 H new ATOM 519 N PRO A 37 -1.819 20.768 1.650 1.00 0.00 N ATOM 520 CA PRO A 37 -2.699 19.917 2.457 1.00 0.00 C ATOM 521 C PRO A 37 -2.428 18.432 2.239 1.00 0.00 C ATOM 522 O PRO A 37 -1.392 18.053 1.691 1.00 0.00 O ATOM 523 CB PRO A 37 -4.100 20.283 1.960 1.00 0.00 C ATOM 524 CG PRO A 37 -3.891 20.782 0.572 1.00 0.00 C ATOM 525 CD PRO A 37 -2.547 21.458 0.572 1.00 0.00 C ATOM 0 HA PRO A 37 -2.555 20.079 3.525 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.764 19.418 1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.557 21.046 2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.915 19.962 -0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.678 21.479 0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.042 21.349 -0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.635 22.527 0.766 1.00 0.00 H new ATOM 533 N THR A 38 -3.366 17.594 2.670 1.00 0.00 N ATOM 534 CA THR A 38 -3.228 16.151 2.523 1.00 0.00 C ATOM 535 C THR A 38 -3.000 15.766 1.066 1.00 0.00 C ATOM 536 O THR A 38 -3.844 15.993 0.199 1.00 0.00 O ATOM 537 CB THR A 38 -4.472 15.411 3.049 1.00 0.00 C ATOM 538 OG1 THR A 38 -4.626 15.648 4.453 1.00 0.00 O ATOM 539 CG2 THR A 38 -4.362 13.916 2.791 1.00 0.00 C ATOM 0 H THR A 38 -4.230 17.891 3.124 1.00 0.00 H new ATOM 0 HA THR A 38 -2.361 15.855 3.114 1.00 0.00 H new ATOM 0 HB THR A 38 -5.345 15.792 2.519 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.420 15.175 4.779 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.252 13.415 3.171 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.275 13.737 1.719 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.480 13.523 3.297 1.00 0.00 H new ATOM 547 N PRO A 39 -1.832 15.169 0.787 1.00 0.00 N ATOM 548 CA PRO A 39 -1.466 14.739 -0.566 1.00 0.00 C ATOM 549 C PRO A 39 -2.299 13.553 -1.042 1.00 0.00 C ATOM 550 O PRO A 39 -2.312 12.497 -0.409 1.00 0.00 O ATOM 551 CB PRO A 39 0.004 14.337 -0.426 1.00 0.00 C ATOM 552 CG PRO A 39 0.162 13.972 1.010 1.00 0.00 C ATOM 553 CD PRO A 39 -0.778 14.867 1.770 1.00 0.00 C ATOM 0 HA PRO A 39 -1.639 15.523 -1.303 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.249 13.498 -1.077 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.667 15.157 -0.701 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.080 12.922 1.175 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.191 14.117 1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.182 14.369 2.652 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.279 15.773 2.115 1.00 0.00 H new ATOM 561 N ASP A 40 -2.992 13.734 -2.161 1.00 0.00 N ATOM 562 CA ASP A 40 -3.826 12.678 -2.723 1.00 0.00 C ATOM 563 C ASP A 40 -2.975 11.644 -3.453 1.00 0.00 C ATOM 564 O ASP A 40 -2.260 11.970 -4.401 1.00 0.00 O ATOM 565 CB ASP A 40 -4.861 13.272 -3.679 1.00 0.00 C ATOM 566 CG ASP A 40 -5.242 12.311 -4.789 1.00 0.00 C ATOM 567 OD1 ASP A 40 -4.429 12.126 -5.719 1.00 0.00 O ATOM 568 OD2 ASP A 40 -6.353 11.744 -4.727 1.00 0.00 O ATOM 0 H ASP A 40 -2.993 14.602 -2.697 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.343 12.181 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.754 13.547 -3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.464 14.188 -4.116 1.00 0.00 H new ATOM 573 N LEU A 41 -3.056 10.396 -3.004 1.00 0.00 N ATOM 574 CA LEU A 41 -2.292 9.313 -3.614 1.00 0.00 C ATOM 575 C LEU A 41 -3.216 8.197 -4.093 1.00 0.00 C ATOM 576 O LEU A 41 -4.251 7.930 -3.482 1.00 0.00 O ATOM 577 CB LEU A 41 -1.275 8.755 -2.617 1.00 0.00 C ATOM 578 CG LEU A 41 -1.832 8.326 -1.259 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.986 7.211 -0.663 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.898 9.513 -0.310 1.00 0.00 C ATOM 0 H LEU A 41 -3.643 10.109 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.762 9.717 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.783 7.896 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.507 9.511 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.844 7.948 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.398 6.919 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.991 6.352 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.037 7.562 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.297 9.189 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.898 9.922 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.547 10.280 -0.732 1.00 0.00 H new ATOM 592 N SER A 42 -2.834 7.549 -5.188 1.00 0.00 N ATOM 593 CA SER A 42 -3.629 6.463 -5.750 1.00 0.00 C ATOM 594 C SER A 42 -2.820 5.171 -5.808 1.00 0.00 C ATOM 595 O SER A 42 -1.612 5.193 -6.042 1.00 0.00 O ATOM 596 CB SER A 42 -4.120 6.834 -7.151 1.00 0.00 C ATOM 597 OG SER A 42 -5.180 7.772 -7.087 1.00 0.00 O ATOM 0 H SER A 42 -1.979 7.757 -5.704 1.00 0.00 H new ATOM 0 HA SER A 42 -4.490 6.303 -5.101 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.296 7.250 -7.730 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.455 5.937 -7.672 1.00 0.00 H new ATOM 0 HG SER A 42 -5.475 7.994 -7.995 1.00 0.00 H new ATOM 603 N TRP A 43 -3.495 4.048 -5.593 1.00 0.00 N ATOM 604 CA TRP A 43 -2.839 2.745 -5.621 1.00 0.00 C ATOM 605 C TRP A 43 -3.028 2.069 -6.975 1.00 0.00 C ATOM 606 O TRP A 43 -4.143 1.996 -7.491 1.00 0.00 O ATOM 607 CB TRP A 43 -3.390 1.850 -4.509 1.00 0.00 C ATOM 608 CG TRP A 43 -3.078 2.353 -3.132 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.932 2.993 -2.280 1.00 0.00 C ATOM 610 CD2 TRP A 43 -1.823 2.260 -2.450 1.00 0.00 C ATOM 611 NE1 TRP A 43 -3.284 3.303 -1.109 1.00 0.00 N ATOM 612 CE2 TRP A 43 -1.989 2.863 -1.188 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.576 1.723 -2.781 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -0.954 2.944 -0.260 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.450 1.805 -1.859 1.00 0.00 C ATOM 616 CH2 TRP A 43 0.256 2.411 -0.611 1.00 0.00 C ATOM 0 H TRP A 43 -4.495 4.013 -5.397 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.772 2.899 -5.459 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.471 1.767 -4.621 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.980 0.847 -4.623 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.965 3.222 -2.495 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.700 3.783 -0.311 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.417 1.252 -3.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.101 3.411 0.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.418 1.395 -2.105 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.078 2.458 0.088 1.00 0.00 H new ATOM 627 N GLN A 44 -1.932 1.577 -7.543 1.00 0.00 N ATOM 628 CA GLN A 44 -1.979 0.908 -8.838 1.00 0.00 C ATOM 629 C GLN A 44 -1.302 -0.457 -8.770 1.00 0.00 C ATOM 630 O GLN A 44 -0.137 -0.566 -8.385 1.00 0.00 O ATOM 631 CB GLN A 44 -1.306 1.771 -9.907 1.00 0.00 C ATOM 632 CG GLN A 44 -1.953 3.135 -10.082 1.00 0.00 C ATOM 633 CD GLN A 44 -1.291 3.959 -11.169 1.00 0.00 C ATOM 634 OE1 GLN A 44 -0.200 3.630 -11.637 1.00 0.00 O ATOM 635 NE2 GLN A 44 -1.948 5.038 -11.578 1.00 0.00 N ATOM 0 H GLN A 44 -1.002 1.629 -7.128 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.026 0.762 -9.105 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.257 1.907 -9.645 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.331 1.241 -10.859 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.008 3.004 -10.322 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.906 3.679 -9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.849 5.274 -11.163 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.551 5.631 -12.307 1.00 0.00 H new ATOM 644 N LEU A 45 -2.039 -1.497 -9.145 1.00 0.00 N ATOM 645 CA LEU A 45 -1.510 -2.856 -9.126 1.00 0.00 C ATOM 646 C LEU A 45 -1.360 -3.402 -10.542 1.00 0.00 C ATOM 647 O LEU A 45 -2.349 -3.621 -11.241 1.00 0.00 O ATOM 648 CB LEU A 45 -2.426 -3.770 -8.309 1.00 0.00 C ATOM 649 CG LEU A 45 -2.090 -5.261 -8.344 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.835 -5.545 -7.533 1.00 0.00 C ATOM 651 CD2 LEU A 45 -3.261 -6.083 -7.824 1.00 0.00 C ATOM 0 H LEU A 45 -3.005 -1.425 -9.466 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.525 -2.829 -8.661 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.406 -3.438 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.448 -3.640 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.901 -5.547 -9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.612 -6.611 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.002 -4.984 -7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.995 -5.243 -6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.005 -7.142 -7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.481 -5.794 -6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.137 -5.903 -8.447 1.00 0.00 H new ATOM 663 N ASP A 46 -0.118 -3.621 -10.958 1.00 0.00 N ATOM 664 CA ASP A 46 0.162 -4.144 -12.290 1.00 0.00 C ATOM 665 C ASP A 46 -0.373 -3.205 -13.366 1.00 0.00 C ATOM 666 O ASP A 46 -0.904 -3.648 -14.384 1.00 0.00 O ATOM 667 CB ASP A 46 -0.456 -5.534 -12.455 1.00 0.00 C ATOM 668 CG ASP A 46 0.062 -6.523 -11.430 1.00 0.00 C ATOM 669 OD1 ASP A 46 0.053 -6.190 -10.226 1.00 0.00 O ATOM 670 OD2 ASP A 46 0.474 -7.631 -11.831 1.00 0.00 O ATOM 0 H ASP A 46 0.712 -3.444 -10.392 1.00 0.00 H new ATOM 0 HA ASP A 46 1.243 -4.219 -12.404 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.540 -5.459 -12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.242 -5.907 -13.456 1.00 0.00 H new ATOM 675 N GLY A 47 -0.229 -1.904 -13.134 1.00 0.00 N ATOM 676 CA GLY A 47 -0.704 -0.922 -14.092 1.00 0.00 C ATOM 677 C GLY A 47 -2.217 -0.871 -14.168 1.00 0.00 C ATOM 678 O GLY A 47 -2.788 -0.768 -15.254 1.00 0.00 O ATOM 0 H GLY A 47 0.208 -1.512 -12.300 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.324 0.062 -13.818 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.301 -1.156 -15.078 1.00 0.00 H new ATOM 682 N LYS A 48 -2.869 -0.946 -13.013 1.00 0.00 N ATOM 683 CA LYS A 48 -4.325 -0.908 -12.952 1.00 0.00 C ATOM 684 C LYS A 48 -4.799 -0.329 -11.624 1.00 0.00 C ATOM 685 O LYS A 48 -4.145 -0.467 -10.590 1.00 0.00 O ATOM 686 CB LYS A 48 -4.900 -2.314 -13.143 1.00 0.00 C ATOM 687 CG LYS A 48 -4.521 -2.952 -14.468 1.00 0.00 C ATOM 688 CD LYS A 48 -5.217 -4.289 -14.662 1.00 0.00 C ATOM 689 CE LYS A 48 -4.464 -5.415 -13.971 1.00 0.00 C ATOM 690 NZ LYS A 48 -5.357 -6.561 -13.643 1.00 0.00 N ATOM 0 H LYS A 48 -2.411 -1.034 -12.106 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.681 -0.264 -13.756 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.554 -2.952 -12.330 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.987 -2.266 -13.070 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.786 -2.281 -15.285 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.441 -3.094 -14.509 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.232 -4.233 -14.268 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.301 -4.506 -15.727 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.654 -5.759 -14.615 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.006 -5.038 -13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.806 -7.307 -13.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.116 -6.239 -13.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.774 -6.938 -14.518 1.00 0.00 H new ATOM 704 N PRO A 49 -5.965 0.334 -11.649 1.00 0.00 N ATOM 705 CA PRO A 49 -6.553 0.946 -10.453 1.00 0.00 C ATOM 706 C PRO A 49 -7.054 -0.094 -9.457 1.00 0.00 C ATOM 707 O PRO A 49 -8.036 -0.792 -9.713 1.00 0.00 O ATOM 708 CB PRO A 49 -7.724 1.760 -11.011 1.00 0.00 C ATOM 709 CG PRO A 49 -8.085 1.079 -12.286 1.00 0.00 C ATOM 710 CD PRO A 49 -6.798 0.538 -12.846 1.00 0.00 C ATOM 0 HA PRO A 49 -5.827 1.542 -9.900 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.564 1.772 -10.317 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.438 2.798 -11.183 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.802 0.277 -12.110 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.551 1.776 -12.982 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.956 -0.394 -13.389 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.337 1.238 -13.542 1.00 0.00 H new ATOM 718 N VAL A 50 -6.374 -0.192 -8.319 1.00 0.00 N ATOM 719 CA VAL A 50 -6.752 -1.145 -7.283 1.00 0.00 C ATOM 720 C VAL A 50 -7.785 -0.547 -6.335 1.00 0.00 C ATOM 721 O VAL A 50 -7.523 0.454 -5.667 1.00 0.00 O ATOM 722 CB VAL A 50 -5.527 -1.602 -6.468 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.877 -0.417 -5.771 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.926 -2.670 -5.460 1.00 0.00 C ATOM 0 H VAL A 50 -5.559 0.377 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.185 -2.007 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.798 -2.035 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.014 -0.759 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.554 0.311 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.596 0.048 -5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.049 -2.981 -4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.674 -2.265 -4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.342 -3.529 -5.986 1.00 0.00 H new ATOM 734 N ARG A 51 -8.959 -1.167 -6.281 1.00 0.00 N ATOM 735 CA ARG A 51 -10.033 -0.695 -5.415 1.00 0.00 C ATOM 736 C ARG A 51 -10.197 -1.609 -4.204 1.00 0.00 C ATOM 737 O ARG A 51 -9.947 -2.813 -4.267 1.00 0.00 O ATOM 738 CB ARG A 51 -11.348 -0.620 -6.192 1.00 0.00 C ATOM 739 CG ARG A 51 -11.368 0.469 -7.253 1.00 0.00 C ATOM 740 CD ARG A 51 -11.814 1.803 -6.674 1.00 0.00 C ATOM 741 NE ARG A 51 -11.760 2.874 -7.665 1.00 0.00 N ATOM 742 CZ ARG A 51 -10.642 3.508 -8.002 1.00 0.00 C ATOM 743 NH1 ARG A 51 -9.491 3.178 -7.431 1.00 0.00 N ATOM 744 NH2 ARG A 51 -10.674 4.473 -8.912 1.00 0.00 N ATOM 0 H ARG A 51 -9.191 -1.997 -6.826 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.769 0.302 -5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.534 -1.583 -6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.165 -0.448 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.374 0.574 -7.687 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.040 0.179 -8.061 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.832 1.711 -6.294 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.179 2.061 -5.826 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.628 3.151 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.463 2.436 -6.732 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.634 3.666 -7.691 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.557 4.729 -9.353 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.815 4.959 -9.170 1.00 0.00 H new ATOM 758 N PRO A 52 -10.625 -1.026 -3.075 1.00 0.00 N ATOM 759 CA PRO A 52 -10.832 -1.769 -1.829 1.00 0.00 C ATOM 760 C PRO A 52 -12.025 -2.715 -1.909 1.00 0.00 C ATOM 761 O PRO A 52 -13.150 -2.290 -2.171 1.00 0.00 O ATOM 762 CB PRO A 52 -11.091 -0.668 -0.798 1.00 0.00 C ATOM 763 CG PRO A 52 -11.624 0.475 -1.590 1.00 0.00 C ATOM 764 CD PRO A 52 -10.942 0.405 -2.928 1.00 0.00 C ATOM 0 HA PRO A 52 -9.981 -2.406 -1.588 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.806 -0.994 -0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.176 -0.394 -0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.706 0.403 -1.699 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.416 1.424 -1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.592 0.757 -3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.043 1.020 -2.953 1.00 0.00 H new ATOM 772 N ASP A 53 -11.772 -4.000 -1.682 1.00 0.00 N ATOM 773 CA ASP A 53 -12.827 -5.006 -1.727 1.00 0.00 C ATOM 774 C ASP A 53 -12.914 -5.762 -0.405 1.00 0.00 C ATOM 775 O ASP A 53 -12.190 -5.458 0.543 1.00 0.00 O ATOM 776 CB ASP A 53 -12.576 -5.987 -2.874 1.00 0.00 C ATOM 777 CG ASP A 53 -13.851 -6.648 -3.359 1.00 0.00 C ATOM 778 OD1 ASP A 53 -14.907 -5.982 -3.345 1.00 0.00 O ATOM 779 OD2 ASP A 53 -13.794 -7.833 -3.752 1.00 0.00 O ATOM 0 H ASP A 53 -10.846 -4.369 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.775 -4.496 -1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.106 -5.459 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.875 -6.754 -2.545 1.00 0.00 H new ATOM 784 N SER A 54 -13.805 -6.746 -0.350 1.00 0.00 N ATOM 785 CA SER A 54 -13.990 -7.542 0.858 1.00 0.00 C ATOM 786 C SER A 54 -12.646 -7.969 1.439 1.00 0.00 C ATOM 787 O SER A 54 -12.476 -8.035 2.656 1.00 0.00 O ATOM 788 CB SER A 54 -14.843 -8.776 0.555 1.00 0.00 C ATOM 789 OG SER A 54 -15.259 -9.414 1.750 1.00 0.00 O ATOM 0 H SER A 54 -14.410 -7.011 -1.127 1.00 0.00 H new ATOM 0 HA SER A 54 -14.504 -6.925 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.716 -8.484 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.272 -9.476 -0.055 1.00 0.00 H new ATOM 0 HG SER A 54 -15.804 -10.198 1.530 1.00 0.00 H new ATOM 795 N ALA A 55 -11.693 -8.258 0.559 1.00 0.00 N ATOM 796 CA ALA A 55 -10.363 -8.677 0.983 1.00 0.00 C ATOM 797 C ALA A 55 -9.425 -7.481 1.107 1.00 0.00 C ATOM 798 O ALA A 55 -8.753 -7.309 2.125 1.00 0.00 O ATOM 799 CB ALA A 55 -9.794 -9.697 0.007 1.00 0.00 C ATOM 0 H ALA A 55 -11.817 -8.210 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.451 -9.141 1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.800 -10.001 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.447 -10.569 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.727 -9.252 -0.986 1.00 0.00 H new ATOM 805 N HIS A 56 -9.382 -6.657 0.065 1.00 0.00 N ATOM 806 CA HIS A 56 -8.525 -5.477 0.058 1.00 0.00 C ATOM 807 C HIS A 56 -9.223 -4.295 0.726 1.00 0.00 C ATOM 808 O HIS A 56 -10.239 -3.803 0.235 1.00 0.00 O ATOM 809 CB HIS A 56 -8.136 -5.111 -1.375 1.00 0.00 C ATOM 810 CG HIS A 56 -7.349 -6.177 -2.072 1.00 0.00 C ATOM 811 ND1 HIS A 56 -7.833 -7.450 -2.290 1.00 0.00 N ATOM 812 CD2 HIS A 56 -6.104 -6.154 -2.603 1.00 0.00 C ATOM 813 CE1 HIS A 56 -6.920 -8.164 -2.924 1.00 0.00 C ATOM 814 NE2 HIS A 56 -5.861 -7.401 -3.126 1.00 0.00 N ATOM 0 H HIS A 56 -9.931 -6.785 -0.785 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.622 -5.710 0.623 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.041 -4.906 -1.947 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.552 -4.191 -1.361 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.428 -5.312 -2.614 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.022 -9.196 -3.226 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.002 -7.691 -3.594 1.00 0.00 H new ATOM 822 N LYS A 57 -8.671 -3.845 1.847 1.00 0.00 N ATOM 823 CA LYS A 57 -9.238 -2.721 2.583 1.00 0.00 C ATOM 824 C LYS A 57 -8.180 -1.656 2.851 1.00 0.00 C ATOM 825 O LYS A 57 -7.204 -1.902 3.558 1.00 0.00 O ATOM 826 CB LYS A 57 -9.840 -3.202 3.905 1.00 0.00 C ATOM 827 CG LYS A 57 -8.827 -3.303 5.033 1.00 0.00 C ATOM 828 CD LYS A 57 -9.324 -4.205 6.150 1.00 0.00 C ATOM 829 CE LYS A 57 -8.665 -3.864 7.477 1.00 0.00 C ATOM 830 NZ LYS A 57 -9.315 -4.567 8.617 1.00 0.00 N ATOM 0 H LYS A 57 -7.830 -4.242 2.267 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.025 -2.279 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.636 -2.519 4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.299 -4.179 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.885 -3.690 4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.623 -2.309 5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.406 -4.107 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.119 -5.245 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.610 -4.134 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.713 -2.787 7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.836 -4.308 9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.316 -4.290 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.247 -5.595 8.475 1.00 0.00 H new ATOM 844 N MET A 58 -8.382 -0.472 2.283 1.00 0.00 N ATOM 845 CA MET A 58 -7.446 0.632 2.463 1.00 0.00 C ATOM 846 C MET A 58 -7.916 1.568 3.571 1.00 0.00 C ATOM 847 O MET A 58 -9.115 1.801 3.734 1.00 0.00 O ATOM 848 CB MET A 58 -7.283 1.410 1.156 1.00 0.00 C ATOM 849 CG MET A 58 -6.233 0.823 0.226 1.00 0.00 C ATOM 850 SD MET A 58 -6.516 1.256 -1.501 1.00 0.00 S ATOM 851 CE MET A 58 -7.178 -0.285 -2.132 1.00 0.00 C ATOM 0 H MET A 58 -9.185 -0.252 1.694 1.00 0.00 H new ATOM 0 HA MET A 58 -6.481 0.214 2.750 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.241 1.438 0.637 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.016 2.441 1.387 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.247 1.176 0.528 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.228 -0.262 0.329 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.453 -0.161 -3.179 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.424 -1.067 -2.045 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.060 -0.565 -1.556 1.00 0.00 H new ATOM 861 N LEU A 59 -6.967 2.103 4.331 1.00 0.00 N ATOM 862 CA LEU A 59 -7.285 3.015 5.424 1.00 0.00 C ATOM 863 C LEU A 59 -6.710 4.403 5.160 1.00 0.00 C ATOM 864 O LEU A 59 -5.610 4.540 4.625 1.00 0.00 O ATOM 865 CB LEU A 59 -6.741 2.468 6.745 1.00 0.00 C ATOM 866 CG LEU A 59 -7.515 1.300 7.358 1.00 0.00 C ATOM 867 CD1 LEU A 59 -7.378 0.057 6.492 1.00 0.00 C ATOM 868 CD2 LEU A 59 -7.030 1.022 8.773 1.00 0.00 C ATOM 0 H LEU A 59 -5.971 1.921 4.210 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.370 3.098 5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.710 2.151 6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.717 3.282 7.470 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.569 1.572 7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.935 -0.764 6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.775 0.261 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.326 -0.218 6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.592 0.188 9.193 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.970 0.771 8.751 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.180 1.908 9.390 1.00 0.00 H new ATOM 880 N VAL A 60 -7.462 5.431 5.541 1.00 0.00 N ATOM 881 CA VAL A 60 -7.026 6.809 5.349 1.00 0.00 C ATOM 882 C VAL A 60 -7.138 7.607 6.643 1.00 0.00 C ATOM 883 O VAL A 60 -8.211 8.103 6.988 1.00 0.00 O ATOM 884 CB VAL A 60 -7.851 7.511 4.254 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.368 8.940 4.054 1.00 0.00 C ATOM 886 CG2 VAL A 60 -7.781 6.729 2.951 1.00 0.00 C ATOM 0 H VAL A 60 -8.376 5.335 5.984 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.982 6.770 5.039 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.892 7.547 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.963 9.420 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.475 9.494 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.320 8.931 3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.369 7.239 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.744 6.660 2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.180 5.726 3.106 1.00 0.00 H new ATOM 896 N ARG A 61 -6.023 7.727 7.356 1.00 0.00 N ATOM 897 CA ARG A 61 -5.995 8.463 8.614 1.00 0.00 C ATOM 898 C ARG A 61 -5.895 9.965 8.362 1.00 0.00 C ATOM 899 O ARG A 61 -5.041 10.420 7.602 1.00 0.00 O ATOM 900 CB ARG A 61 -4.820 8.000 9.476 1.00 0.00 C ATOM 901 CG ARG A 61 -4.862 6.520 9.820 1.00 0.00 C ATOM 902 CD ARG A 61 -3.999 6.204 11.031 1.00 0.00 C ATOM 903 NE ARG A 61 -4.440 6.927 12.221 1.00 0.00 N ATOM 904 CZ ARG A 61 -3.667 7.140 13.280 1.00 0.00 C ATOM 905 NH1 ARG A 61 -2.421 6.690 13.296 1.00 0.00 N ATOM 906 NH2 ARG A 61 -4.141 7.806 14.325 1.00 0.00 N ATOM 0 H ARG A 61 -5.127 7.324 7.084 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.926 8.261 9.144 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.889 8.216 8.952 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.808 8.579 10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.891 6.221 10.017 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.519 5.937 8.965 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.028 5.132 11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.962 6.461 10.814 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.394 7.288 12.240 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.053 6.179 12.494 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.830 6.855 14.111 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.099 8.155 14.315 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.547 7.969 15.138 1.00 0.00 H new ATOM 920 N GLU A 62 -6.773 10.728 9.006 1.00 0.00 N ATOM 921 CA GLU A 62 -6.783 12.178 8.850 1.00 0.00 C ATOM 922 C GLU A 62 -5.366 12.741 8.909 1.00 0.00 C ATOM 923 O GLU A 62 -5.017 13.651 8.159 1.00 0.00 O ATOM 924 CB GLU A 62 -7.647 12.824 9.935 1.00 0.00 C ATOM 925 CG GLU A 62 -7.614 14.343 9.915 1.00 0.00 C ATOM 926 CD GLU A 62 -6.459 14.912 10.715 1.00 0.00 C ATOM 927 OE1 GLU A 62 -6.031 14.255 11.688 1.00 0.00 O ATOM 928 OE2 GLU A 62 -5.983 16.014 10.370 1.00 0.00 O ATOM 0 H GLU A 62 -7.486 10.367 9.640 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.207 12.410 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.677 12.490 9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.311 12.474 10.911 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.541 14.687 8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.552 14.728 10.314 1.00 0.00 H new ATOM 935 N ASN A 63 -4.555 12.193 9.809 1.00 0.00 N ATOM 936 CA ASN A 63 -3.177 12.642 9.968 1.00 0.00 C ATOM 937 C ASN A 63 -2.445 12.639 8.629 1.00 0.00 C ATOM 938 O ASN A 63 -1.723 13.580 8.303 1.00 0.00 O ATOM 939 CB ASN A 63 -2.440 11.746 10.966 1.00 0.00 C ATOM 940 CG ASN A 63 -3.206 11.574 12.264 1.00 0.00 C ATOM 941 OD1 ASN A 63 -2.950 12.271 13.246 1.00 0.00 O ATOM 942 ND2 ASN A 63 -4.151 10.642 12.273 1.00 0.00 N ATOM 0 H ASN A 63 -4.828 11.438 10.438 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.195 13.663 10.349 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.270 10.768 10.515 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.460 12.174 11.179 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.700 10.480 13.118 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.329 10.088 11.435 1.00 0.00 H new ATOM 949 N GLY A 64 -2.640 11.574 7.857 1.00 0.00 N ATOM 950 CA GLY A 64 -1.993 11.469 6.562 1.00 0.00 C ATOM 951 C GLY A 64 -1.320 10.126 6.357 1.00 0.00 C ATOM 952 O GLY A 64 -0.841 9.824 5.265 1.00 0.00 O ATOM 0 H GLY A 64 -3.234 10.783 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.732 11.625 5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.252 12.262 6.464 1.00 0.00 H new ATOM 956 N VAL A 65 -1.283 9.318 7.412 1.00 0.00 N ATOM 957 CA VAL A 65 -0.663 8.000 7.344 1.00 0.00 C ATOM 958 C VAL A 65 -1.552 7.013 6.595 1.00 0.00 C ATOM 959 O VAL A 65 -2.649 6.682 7.047 1.00 0.00 O ATOM 960 CB VAL A 65 -0.369 7.444 8.750 1.00 0.00 C ATOM 961 CG1 VAL A 65 0.151 6.017 8.662 1.00 0.00 C ATOM 962 CG2 VAL A 65 0.623 8.338 9.478 1.00 0.00 C ATOM 0 H VAL A 65 -1.675 9.553 8.324 1.00 0.00 H new ATOM 0 HA VAL A 65 0.277 8.120 6.805 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.298 7.432 9.319 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.353 5.641 9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.597 5.386 8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.070 6.000 8.076 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.820 7.931 10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.554 8.384 8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.207 9.341 9.573 1.00 0.00 H new ATOM 972 N HIS A 66 -1.072 6.545 5.447 1.00 0.00 N ATOM 973 CA HIS A 66 -1.822 5.594 4.635 1.00 0.00 C ATOM 974 C HIS A 66 -1.308 4.174 4.847 1.00 0.00 C ATOM 975 O HIS A 66 -0.147 3.970 5.201 1.00 0.00 O ATOM 976 CB HIS A 66 -1.727 5.968 3.155 1.00 0.00 C ATOM 977 CG HIS A 66 -2.761 6.961 2.721 1.00 0.00 C ATOM 978 ND1 HIS A 66 -2.805 8.256 3.191 1.00 0.00 N ATOM 979 CD2 HIS A 66 -3.792 6.843 1.852 1.00 0.00 C ATOM 980 CE1 HIS A 66 -3.819 8.891 2.632 1.00 0.00 C ATOM 981 NE2 HIS A 66 -4.434 8.056 1.814 1.00 0.00 N ATOM 0 H HIS A 66 -0.167 6.809 5.058 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.866 5.633 4.946 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.736 6.376 2.955 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.827 5.065 2.553 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.156 8.661 3.865 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.060 5.959 1.292 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.098 9.919 2.813 1.00 0.00 H new ATOM 989 N SER A 67 -2.181 3.195 4.629 1.00 0.00 N ATOM 990 CA SER A 67 -1.816 1.793 4.801 1.00 0.00 C ATOM 991 C SER A 67 -2.729 0.890 3.978 1.00 0.00 C ATOM 992 O SER A 67 -3.936 1.122 3.890 1.00 0.00 O ATOM 993 CB SER A 67 -1.889 1.403 6.278 1.00 0.00 C ATOM 994 OG SER A 67 -0.819 1.975 7.011 1.00 0.00 O ATOM 0 H SER A 67 -3.145 3.347 4.333 1.00 0.00 H new ATOM 0 HA SER A 67 -0.793 1.663 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.839 1.734 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.859 0.318 6.372 1.00 0.00 H new ATOM 0 HG SER A 67 -0.350 2.627 6.450 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.146 -0.142 3.378 1.00 0.00 N ATOM 1001 CA LEU A 68 -2.905 -1.082 2.562 1.00 0.00 C ATOM 1002 C LEU A 68 -2.942 -2.462 3.212 1.00 0.00 C ATOM 1003 O LEU A 68 -1.904 -3.094 3.408 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.296 -1.182 1.163 1.00 0.00 C ATOM 1005 CG LEU A 68 -2.874 -2.267 0.254 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.286 -1.904 -0.179 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -1.980 -2.480 -0.959 1.00 0.00 C ATOM 0 H LEU A 68 -1.149 -0.349 3.442 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.927 -0.711 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.416 -0.219 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.225 -1.356 1.267 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.917 -3.200 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.681 -2.688 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.922 -1.804 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.268 -0.960 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.407 -3.256 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.904 -1.550 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.987 -2.787 -0.630 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.144 -2.922 3.543 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.316 -4.228 4.168 1.00 0.00 C ATOM 1021 C ILE A 69 -5.099 -5.172 3.262 1.00 0.00 C ATOM 1022 O ILE A 69 -6.104 -4.785 2.665 1.00 0.00 O ATOM 1023 CB ILE A 69 -5.042 -4.113 5.521 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.235 -3.240 6.485 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.274 -5.494 6.116 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -5.070 -2.627 7.587 1.00 0.00 C ATOM 0 H ILE A 69 -5.013 -2.410 3.389 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.318 -4.633 4.334 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.011 -3.641 5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.444 -3.842 6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.750 -2.443 5.921 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.788 -5.397 7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.885 -6.086 5.434 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.316 -5.990 6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.433 -2.022 8.232 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.845 -1.998 7.149 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.534 -3.419 8.175 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.632 -6.413 3.165 1.00 0.00 N ATOM 1039 CA ILE A 70 -5.291 -7.413 2.334 1.00 0.00 C ATOM 1040 C ILE A 70 -5.410 -8.745 3.068 1.00 0.00 C ATOM 1041 O ILE A 70 -4.412 -9.311 3.512 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.533 -7.634 1.012 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -4.297 -6.298 0.305 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -5.305 -8.587 0.112 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -3.155 -6.332 -0.686 1.00 0.00 C ATOM 0 H ILE A 70 -3.801 -6.749 3.651 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.288 -7.032 2.112 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.564 -8.081 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.209 -6.005 -0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.096 -5.531 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.757 -8.733 -0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.426 -9.546 0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.286 -8.166 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.046 -5.351 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.232 -6.594 -0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.363 -7.075 -1.456 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.638 -9.240 3.189 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.886 -10.506 3.868 1.00 0.00 C ATOM 1059 C GLU A 71 -8.248 -11.074 3.478 1.00 0.00 C ATOM 1060 O GLU A 71 -9.283 -10.422 3.614 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.815 -10.320 5.385 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.642 -11.621 6.151 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.806 -12.572 5.953 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.960 -12.098 5.909 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -7.562 -13.792 5.842 1.00 0.00 O ATOM 0 H GLU A 71 -7.475 -8.784 2.826 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.114 -11.211 3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.984 -9.655 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.725 -9.826 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.721 -12.108 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.533 -11.402 7.213 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.248 -12.320 2.981 1.00 0.00 N ATOM 1073 CA PRO A 72 -7.022 -13.107 2.815 1.00 0.00 C ATOM 1074 C PRO A 72 -6.129 -12.560 1.706 1.00 0.00 C ATOM 1075 O PRO A 72 -6.389 -11.489 1.157 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.541 -14.499 2.445 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.877 -14.255 1.833 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.446 -13.057 2.543 1.00 0.00 C ATOM 0 HA PRO A 72 -6.403 -13.092 3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.871 -14.998 1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.619 -15.139 3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.788 -14.068 0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.525 -15.123 1.952 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.068 -12.455 1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.070 -13.349 3.388 1.00 0.00 H new ATOM 1086 N VAL A 73 -5.075 -13.302 1.381 1.00 0.00 N ATOM 1087 CA VAL A 73 -4.144 -12.892 0.337 1.00 0.00 C ATOM 1088 C VAL A 73 -4.036 -13.955 -0.751 1.00 0.00 C ATOM 1089 O VAL A 73 -3.959 -15.150 -0.463 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.742 -12.617 0.912 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.711 -12.549 -0.205 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.743 -11.332 1.727 1.00 0.00 C ATOM 0 H VAL A 73 -4.845 -14.190 1.826 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.538 -11.972 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.472 -13.440 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.726 -12.354 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.693 -13.497 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.974 -11.747 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.744 -11.153 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.034 -10.497 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.451 -11.424 2.550 1.00 0.00 H new ATOM 1102 N THR A 74 -4.030 -13.512 -2.005 1.00 0.00 N ATOM 1103 CA THR A 74 -3.932 -14.425 -3.137 1.00 0.00 C ATOM 1104 C THR A 74 -2.710 -14.110 -3.992 1.00 0.00 C ATOM 1105 O THR A 74 -1.921 -13.224 -3.663 1.00 0.00 O ATOM 1106 CB THR A 74 -5.192 -14.362 -4.020 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.384 -13.029 -4.506 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.421 -14.804 -3.241 1.00 0.00 C ATOM 0 H THR A 74 -4.092 -12.527 -2.262 1.00 0.00 H new ATOM 0 HA THR A 74 -3.836 -15.430 -2.726 1.00 0.00 H new ATOM 0 HB THR A 74 -5.052 -15.039 -4.863 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.186 -12.998 -5.068 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.299 -14.751 -3.885 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.285 -15.829 -2.897 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.562 -14.149 -2.381 1.00 0.00 H new ATOM 1116 N SER A 75 -2.559 -14.841 -5.091 1.00 0.00 N ATOM 1117 CA SER A 75 -1.430 -14.642 -5.993 1.00 0.00 C ATOM 1118 C SER A 75 -1.518 -13.284 -6.682 1.00 0.00 C ATOM 1119 O SER A 75 -0.503 -12.706 -7.073 1.00 0.00 O ATOM 1120 CB SER A 75 -1.384 -15.756 -7.041 1.00 0.00 C ATOM 1121 OG SER A 75 -0.056 -15.989 -7.479 1.00 0.00 O ATOM 0 H SER A 75 -3.204 -15.577 -5.379 1.00 0.00 H new ATOM 0 HA SER A 75 -0.515 -14.672 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.798 -16.673 -6.621 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.009 -15.485 -7.892 1.00 0.00 H new ATOM 0 HG SER A 75 -0.053 -16.706 -8.147 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.739 -12.779 -6.826 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.961 -11.489 -7.469 1.00 0.00 C ATOM 1129 C ARG A 76 -2.343 -10.360 -6.650 1.00 0.00 C ATOM 1130 O ARG A 76 -2.050 -9.286 -7.176 1.00 0.00 O ATOM 1131 CB ARG A 76 -4.459 -11.239 -7.654 1.00 0.00 C ATOM 1132 CG ARG A 76 -4.775 -10.180 -8.697 1.00 0.00 C ATOM 1133 CD ARG A 76 -4.777 -10.764 -10.101 1.00 0.00 C ATOM 1134 NE ARG A 76 -3.423 -10.945 -10.620 1.00 0.00 N ATOM 1135 CZ ARG A 76 -2.694 -9.959 -11.130 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -3.185 -8.729 -11.190 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -1.470 -10.203 -11.582 1.00 0.00 N ATOM 0 H ARG A 76 -3.589 -13.243 -6.506 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.480 -11.511 -8.447 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.942 -12.173 -7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.889 -10.936 -6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.748 -9.737 -8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.040 -9.377 -8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.294 -11.724 -10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.336 -10.106 -10.767 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.016 -11.880 -10.589 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.125 -8.538 -10.844 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.623 -7.974 -11.582 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.089 -11.148 -11.538 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.911 -9.445 -11.974 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.149 -10.610 -5.360 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.565 -9.615 -4.467 1.00 0.00 C ATOM 1153 C ASP A 77 -0.083 -9.418 -4.768 1.00 0.00 C ATOM 1154 O ASP A 77 0.506 -8.403 -4.399 1.00 0.00 O ATOM 1155 CB ASP A 77 -1.751 -10.036 -3.009 1.00 0.00 C ATOM 1156 CG ASP A 77 -0.756 -9.367 -2.082 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -0.539 -8.145 -2.225 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -0.194 -10.064 -1.212 1.00 0.00 O ATOM 0 H ASP A 77 -2.387 -11.493 -4.909 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.079 -8.668 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.764 -9.790 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.646 -11.118 -2.930 1.00 0.00 H new ATOM 1163 N ALA A 78 0.515 -10.398 -5.439 1.00 0.00 N ATOM 1164 CA ALA A 78 1.928 -10.332 -5.790 1.00 0.00 C ATOM 1165 C ALA A 78 2.144 -9.490 -7.043 1.00 0.00 C ATOM 1166 O ALA A 78 1.528 -9.733 -8.080 1.00 0.00 O ATOM 1167 CB ALA A 78 2.488 -11.732 -5.989 1.00 0.00 C ATOM 0 H ALA A 78 0.042 -11.247 -5.750 1.00 0.00 H new ATOM 0 HA ALA A 78 2.459 -9.854 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.544 -11.668 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.377 -12.303 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.945 -12.230 -6.792 1.00 0.00 H new ATOM 1173 N GLY A 79 3.023 -8.497 -6.939 1.00 0.00 N ATOM 1174 CA GLY A 79 3.303 -7.634 -8.072 1.00 0.00 C ATOM 1175 C GLY A 79 4.040 -6.371 -7.670 1.00 0.00 C ATOM 1176 O GLY A 79 4.762 -6.357 -6.673 1.00 0.00 O ATOM 0 H GLY A 79 3.545 -8.275 -6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.898 -8.181 -8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.366 -7.365 -8.560 1.00 0.00 H new ATOM 1180 N ILE A 80 3.858 -5.310 -8.448 1.00 0.00 N ATOM 1181 CA ILE A 80 4.512 -4.037 -8.167 1.00 0.00 C ATOM 1182 C ILE A 80 3.488 -2.946 -7.873 1.00 0.00 C ATOM 1183 O ILE A 80 2.783 -2.484 -8.770 1.00 0.00 O ATOM 1184 CB ILE A 80 5.400 -3.589 -9.343 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.494 -4.626 -9.609 1.00 0.00 C ATOM 1186 CG2 ILE A 80 6.012 -2.227 -9.055 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.449 -4.807 -8.450 1.00 0.00 C ATOM 0 H ILE A 80 3.264 -5.306 -9.277 1.00 0.00 H new ATOM 0 HA ILE A 80 5.138 -4.191 -7.288 1.00 0.00 H new ATOM 0 HB ILE A 80 4.780 -3.506 -10.236 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.027 -5.584 -9.838 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.059 -4.328 -10.492 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.637 -1.924 -9.895 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.218 -1.494 -8.911 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.621 -2.285 -8.153 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.197 -5.556 -8.709 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.943 -3.860 -8.235 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.895 -5.136 -7.570 1.00 0.00 H new ATOM 1199 N TYR A 81 3.414 -2.538 -6.611 1.00 0.00 N ATOM 1200 CA TYR A 81 2.475 -1.501 -6.198 1.00 0.00 C ATOM 1201 C TYR A 81 3.057 -0.112 -6.443 1.00 0.00 C ATOM 1202 O TYR A 81 4.055 0.274 -5.833 1.00 0.00 O ATOM 1203 CB TYR A 81 2.121 -1.664 -4.719 1.00 0.00 C ATOM 1204 CG TYR A 81 1.250 -2.867 -4.434 1.00 0.00 C ATOM 1205 CD1 TYR A 81 -0.131 -2.798 -4.575 1.00 0.00 C ATOM 1206 CD2 TYR A 81 1.807 -4.072 -4.024 1.00 0.00 C ATOM 1207 CE1 TYR A 81 -0.931 -3.894 -4.316 1.00 0.00 C ATOM 1208 CE2 TYR A 81 1.015 -5.173 -3.764 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.353 -5.080 -3.911 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.146 -6.174 -3.651 1.00 0.00 O ATOM 0 H TYR A 81 3.992 -2.909 -5.857 1.00 0.00 H new ATOM 0 HA TYR A 81 1.569 -1.607 -6.795 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.041 -1.747 -4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.609 -0.765 -4.375 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.586 -1.872 -4.892 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.878 -4.149 -3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.003 -3.823 -4.430 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.465 -6.102 -3.447 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.581 -6.963 -3.517 1.00 0.00 H new ATOM 1220 N THR A 82 2.423 0.638 -7.340 1.00 0.00 N ATOM 1221 CA THR A 82 2.876 1.984 -7.667 1.00 0.00 C ATOM 1222 C THR A 82 1.982 3.037 -7.021 1.00 0.00 C ATOM 1223 O THR A 82 0.765 3.032 -7.210 1.00 0.00 O ATOM 1224 CB THR A 82 2.902 2.214 -9.190 1.00 0.00 C ATOM 1225 OG1 THR A 82 3.653 1.176 -9.829 1.00 0.00 O ATOM 1226 CG2 THR A 82 3.511 3.567 -9.523 1.00 0.00 C ATOM 0 H THR A 82 1.595 0.336 -7.852 1.00 0.00 H new ATOM 0 HA THR A 82 3.889 2.080 -7.275 1.00 0.00 H new ATOM 0 HB THR A 82 1.875 2.197 -9.556 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.663 1.328 -10.797 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.518 3.707 -10.604 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.919 4.356 -9.059 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.532 3.609 -9.145 1.00 0.00 H new ATOM 1234 N CYS A 83 2.593 3.937 -6.259 1.00 0.00 N ATOM 1235 CA CYS A 83 1.852 4.997 -5.585 1.00 0.00 C ATOM 1236 C CYS A 83 2.320 6.371 -6.053 1.00 0.00 C ATOM 1237 O CYS A 83 3.516 6.604 -6.226 1.00 0.00 O ATOM 1238 CB CYS A 83 2.017 4.878 -4.069 1.00 0.00 C ATOM 1239 SG CYS A 83 1.161 6.165 -3.130 1.00 0.00 S ATOM 0 H CYS A 83 3.599 3.954 -6.092 1.00 0.00 H new ATOM 0 HA CYS A 83 0.798 4.887 -5.839 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.648 3.904 -3.749 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.079 4.912 -3.826 1.00 0.00 H new ATOM 0 HG CYS A 83 2.028 7.020 -2.675 1.00 0.00 H new ATOM 1245 N ILE A 84 1.369 7.276 -6.258 1.00 0.00 N ATOM 1246 CA ILE A 84 1.684 8.626 -6.707 1.00 0.00 C ATOM 1247 C ILE A 84 0.885 9.666 -5.928 1.00 0.00 C ATOM 1248 O ILE A 84 -0.317 9.823 -6.136 1.00 0.00 O ATOM 1249 CB ILE A 84 1.400 8.800 -8.211 1.00 0.00 C ATOM 1250 CG1 ILE A 84 2.184 7.766 -9.023 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.754 10.211 -8.658 1.00 0.00 C ATOM 1252 CD1 ILE A 84 1.501 7.365 -10.311 1.00 0.00 C ATOM 0 H ILE A 84 0.374 7.099 -6.120 1.00 0.00 H new ATOM 0 HA ILE A 84 2.748 8.778 -6.526 1.00 0.00 H new ATOM 0 HB ILE A 84 0.336 8.641 -8.385 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.170 8.169 -9.254 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.339 6.877 -8.411 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.548 10.318 -9.723 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.156 10.931 -8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.812 10.397 -8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.113 6.630 -10.834 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.526 6.932 -10.086 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.370 8.244 -10.942 1.00 0.00 H new ATOM 1264 N ALA A 85 1.563 10.374 -5.030 1.00 0.00 N ATOM 1265 CA ALA A 85 0.918 11.401 -4.222 1.00 0.00 C ATOM 1266 C ALA A 85 1.050 12.774 -4.872 1.00 0.00 C ATOM 1267 O ALA A 85 2.144 13.335 -4.945 1.00 0.00 O ATOM 1268 CB ALA A 85 1.510 11.419 -2.820 1.00 0.00 C ATOM 0 H ALA A 85 2.559 10.255 -4.844 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.143 11.161 -4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.019 12.191 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.358 10.448 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.578 11.631 -2.879 1.00 0.00 H new ATOM 1274 N THR A 86 -0.071 13.311 -5.343 1.00 0.00 N ATOM 1275 CA THR A 86 -0.079 14.618 -5.989 1.00 0.00 C ATOM 1276 C THR A 86 -0.673 15.680 -5.071 1.00 0.00 C ATOM 1277 O THR A 86 -1.853 15.627 -4.726 1.00 0.00 O ATOM 1278 CB THR A 86 -0.878 14.589 -7.305 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.798 13.288 -7.899 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.351 15.630 -8.281 1.00 0.00 C ATOM 0 H THR A 86 -0.985 12.861 -5.289 1.00 0.00 H new ATOM 0 HA THR A 86 0.959 14.869 -6.208 1.00 0.00 H new ATOM 0 HB THR A 86 -1.918 14.821 -7.077 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.310 13.278 -8.734 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.931 15.591 -9.203 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.440 16.622 -7.838 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.696 15.424 -8.502 1.00 0.00 H new ATOM 1288 N ASN A 87 0.152 16.646 -4.679 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.292 17.722 -3.801 1.00 0.00 C ATOM 1290 C ASN A 87 -0.142 19.078 -4.483 1.00 0.00 C ATOM 1291 O ASN A 87 0.591 19.213 -5.463 1.00 0.00 O ATOM 1292 CB ASN A 87 0.504 17.704 -2.495 1.00 0.00 C ATOM 1293 CG ASN A 87 0.186 18.892 -1.607 1.00 0.00 C ATOM 1294 OD1 ASN A 87 -0.961 19.328 -1.523 1.00 0.00 O ATOM 1295 ND2 ASN A 87 1.205 19.421 -0.940 1.00 0.00 N ATOM 0 H ASN A 87 1.132 16.705 -4.956 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.347 17.563 -3.578 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.289 16.782 -1.955 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.570 17.699 -2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.053 20.222 -0.327 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.140 19.026 -1.040 1.00 0.00 H new ATOM 1302 N ARG A 88 -0.840 20.079 -3.957 1.00 0.00 N ATOM 1303 CA ARG A 88 -0.785 21.425 -4.515 1.00 0.00 C ATOM 1304 C ARG A 88 0.661 21.883 -4.687 1.00 0.00 C ATOM 1305 O ARG A 88 0.950 22.771 -5.489 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.538 22.405 -3.615 1.00 0.00 C ATOM 1307 CG ARG A 88 -0.814 22.718 -2.315 1.00 0.00 C ATOM 1308 CD ARG A 88 0.096 23.928 -2.462 1.00 0.00 C ATOM 1309 NE ARG A 88 -0.652 25.138 -2.790 1.00 0.00 N ATOM 1310 CZ ARG A 88 -0.082 26.265 -3.202 1.00 0.00 C ATOM 1311 NH1 ARG A 88 1.235 26.335 -3.335 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -0.830 27.325 -3.482 1.00 0.00 N ATOM 0 H ARG A 88 -1.450 19.983 -3.145 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.261 21.405 -5.495 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.703 23.333 -4.162 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.520 21.992 -3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.543 22.903 -1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.225 21.854 -2.008 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.647 24.082 -1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.833 23.735 -3.242 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.668 25.117 -2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.813 25.522 -3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.670 27.201 -3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.844 27.275 -3.381 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.391 28.190 -3.798 1.00 0.00 H new ATOM 1326 N ALA A 89 1.564 21.272 -3.927 1.00 0.00 N ATOM 1327 CA ALA A 89 2.979 21.616 -3.996 1.00 0.00 C ATOM 1328 C ALA A 89 3.660 20.907 -5.162 1.00 0.00 C ATOM 1329 O ALA A 89 4.253 21.547 -6.029 1.00 0.00 O ATOM 1330 CB ALA A 89 3.671 21.268 -2.687 1.00 0.00 C ATOM 0 H ALA A 89 1.341 20.536 -3.257 1.00 0.00 H new ATOM 0 HA ALA A 89 3.059 22.690 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.727 21.530 -2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.209 21.825 -1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.574 20.199 -2.497 1.00 0.00 H new ATOM 1336 N GLY A 90 3.571 19.581 -5.176 1.00 0.00 N ATOM 1337 CA GLY A 90 4.184 18.807 -6.239 1.00 0.00 C ATOM 1338 C GLY A 90 3.621 17.403 -6.334 1.00 0.00 C ATOM 1339 O GLY A 90 2.429 17.190 -6.111 1.00 0.00 O ATOM 0 H GLY A 90 3.085 19.029 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.035 19.320 -7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.260 18.753 -6.071 1.00 0.00 H new ATOM 1343 N GLN A 91 4.478 16.444 -6.668 1.00 0.00 N ATOM 1344 CA GLN A 91 4.057 15.054 -6.794 1.00 0.00 C ATOM 1345 C GLN A 91 5.258 14.115 -6.740 1.00 0.00 C ATOM 1346 O GLN A 91 6.340 14.447 -7.221 1.00 0.00 O ATOM 1347 CB GLN A 91 3.292 14.848 -8.102 1.00 0.00 C ATOM 1348 CG GLN A 91 3.113 13.386 -8.478 1.00 0.00 C ATOM 1349 CD GLN A 91 2.646 13.204 -9.909 1.00 0.00 C ATOM 1350 OE1 GLN A 91 1.786 13.941 -10.392 1.00 0.00 O ATOM 1351 NE2 GLN A 91 3.212 12.219 -10.596 1.00 0.00 N ATOM 0 H GLN A 91 5.468 16.604 -6.856 1.00 0.00 H new ATOM 0 HA GLN A 91 3.399 14.822 -5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.311 15.315 -8.017 1.00 0.00 H new ATOM 0 HB3 GLN A 91 3.820 15.360 -8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.058 12.861 -8.339 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.391 12.927 -7.803 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.921 11.632 -10.156 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.938 12.049 -11.564 1.00 0.00 H new ATOM 1360 N ASN A 92 5.058 12.940 -6.151 1.00 0.00 N ATOM 1361 CA ASN A 92 6.125 11.953 -6.034 1.00 0.00 C ATOM 1362 C ASN A 92 5.601 10.549 -6.322 1.00 0.00 C ATOM 1363 O ASN A 92 4.400 10.294 -6.238 1.00 0.00 O ATOM 1364 CB ASN A 92 6.742 12.002 -4.635 1.00 0.00 C ATOM 1365 CG ASN A 92 7.992 11.151 -4.524 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.726 10.976 -5.497 1.00 0.00 O ATOM 1367 ND2 ASN A 92 8.240 10.616 -3.334 1.00 0.00 N ATOM 0 H ASN A 92 4.168 12.649 -5.748 1.00 0.00 H new ATOM 0 HA ASN A 92 6.892 12.194 -6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.985 13.034 -4.384 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.008 11.661 -3.905 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.066 10.033 -3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.604 10.788 -2.555 1.00 0.00 H new ATOM 1374 N SER A 93 6.511 9.642 -6.661 1.00 0.00 N ATOM 1375 CA SER A 93 6.141 8.264 -6.964 1.00 0.00 C ATOM 1376 C SER A 93 7.204 7.293 -6.460 1.00 0.00 C ATOM 1377 O SER A 93 8.385 7.634 -6.378 1.00 0.00 O ATOM 1378 CB SER A 93 5.945 8.086 -8.471 1.00 0.00 C ATOM 1379 OG SER A 93 7.142 8.364 -9.178 1.00 0.00 O ATOM 0 H SER A 93 7.510 9.836 -6.733 1.00 0.00 H new ATOM 0 HA SER A 93 5.203 8.045 -6.454 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.624 7.066 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.152 8.748 -8.818 1.00 0.00 H new ATOM 0 HG SER A 93 6.991 8.241 -10.138 1.00 0.00 H new ATOM 1385 N PHE A 94 6.777 6.080 -6.124 1.00 0.00 N ATOM 1386 CA PHE A 94 7.691 5.058 -5.627 1.00 0.00 C ATOM 1387 C PHE A 94 7.152 3.660 -5.917 1.00 0.00 C ATOM 1388 O PHE A 94 5.952 3.410 -5.806 1.00 0.00 O ATOM 1389 CB PHE A 94 7.912 5.230 -4.123 1.00 0.00 C ATOM 1390 CG PHE A 94 6.883 4.530 -3.282 1.00 0.00 C ATOM 1391 CD1 PHE A 94 7.016 3.185 -2.978 1.00 0.00 C ATOM 1392 CD2 PHE A 94 5.784 5.218 -2.794 1.00 0.00 C ATOM 1393 CE1 PHE A 94 6.070 2.539 -2.205 1.00 0.00 C ATOM 1394 CE2 PHE A 94 4.835 4.577 -2.020 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.979 3.236 -1.724 1.00 0.00 C ATOM 0 H PHE A 94 5.804 5.781 -6.187 1.00 0.00 H new ATOM 0 HA PHE A 94 8.644 5.175 -6.143 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.901 4.851 -3.863 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.905 6.293 -3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.868 2.635 -3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.667 6.267 -3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.184 1.489 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.982 5.124 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 94 4.240 2.733 -1.118 1.00 0.00 H new ATOM 1405 N SER A 95 8.049 2.752 -6.290 1.00 0.00 N ATOM 1406 CA SER A 95 7.665 1.380 -6.600 1.00 0.00 C ATOM 1407 C SER A 95 8.178 0.418 -5.533 1.00 0.00 C ATOM 1408 O SER A 95 9.146 0.711 -4.830 1.00 0.00 O ATOM 1409 CB SER A 95 8.206 0.975 -7.972 1.00 0.00 C ATOM 1410 OG SER A 95 9.595 1.237 -8.071 1.00 0.00 O ATOM 0 H SER A 95 9.047 2.942 -6.385 1.00 0.00 H new ATOM 0 HA SER A 95 6.576 1.328 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.020 -0.086 -8.141 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.674 1.520 -8.751 1.00 0.00 H new ATOM 0 HG SER A 95 9.916 0.968 -8.957 1.00 0.00 H new ATOM 1416 N LEU A 96 7.523 -0.732 -5.419 1.00 0.00 N ATOM 1417 CA LEU A 96 7.912 -1.740 -4.438 1.00 0.00 C ATOM 1418 C LEU A 96 7.618 -3.144 -4.955 1.00 0.00 C ATOM 1419 O LEU A 96 6.852 -3.319 -5.902 1.00 0.00 O ATOM 1420 CB LEU A 96 7.177 -1.505 -3.117 1.00 0.00 C ATOM 1421 CG LEU A 96 5.738 -2.019 -3.050 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.718 -3.529 -2.876 1.00 0.00 C ATOM 1423 CD2 LEU A 96 4.982 -1.339 -1.917 1.00 0.00 C ATOM 0 H LEU A 96 6.720 -0.990 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 96 8.985 -1.653 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.748 -1.977 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.169 -0.434 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 96 5.241 -1.776 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.686 -3.876 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.222 -3.999 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.232 -3.796 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.960 -1.716 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.478 -1.551 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.966 -0.262 -2.085 1.00 0.00 H new ATOM 1435 N GLU A 97 8.229 -4.142 -4.323 1.00 0.00 N ATOM 1436 CA GLU A 97 8.031 -5.531 -4.719 1.00 0.00 C ATOM 1437 C GLU A 97 7.465 -6.351 -3.563 1.00 0.00 C ATOM 1438 O GLU A 97 7.796 -6.116 -2.400 1.00 0.00 O ATOM 1439 CB GLU A 97 9.350 -6.143 -5.194 1.00 0.00 C ATOM 1440 CG GLU A 97 9.229 -7.595 -5.623 1.00 0.00 C ATOM 1441 CD GLU A 97 8.875 -7.744 -7.090 1.00 0.00 C ATOM 1442 OE1 GLU A 97 7.670 -7.706 -7.416 1.00 0.00 O ATOM 1443 OE2 GLU A 97 9.803 -7.897 -7.912 1.00 0.00 O ATOM 0 H GLU A 97 8.864 -4.014 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 97 7.314 -5.549 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.732 -5.557 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.084 -6.070 -4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.171 -8.107 -5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.467 -8.086 -5.018 1.00 0.00 H new ATOM 1450 N LEU A 98 6.609 -7.313 -3.891 1.00 0.00 N ATOM 1451 CA LEU A 98 5.996 -8.168 -2.880 1.00 0.00 C ATOM 1452 C LEU A 98 5.920 -9.613 -3.363 1.00 0.00 C ATOM 1453 O LEU A 98 5.243 -9.915 -4.346 1.00 0.00 O ATOM 1454 CB LEU A 98 4.596 -7.659 -2.535 1.00 0.00 C ATOM 1455 CG LEU A 98 3.764 -8.553 -1.614 1.00 0.00 C ATOM 1456 CD1 LEU A 98 4.268 -8.459 -0.182 1.00 0.00 C ATOM 1457 CD2 LEU A 98 2.292 -8.175 -1.690 1.00 0.00 C ATOM 0 H LEU A 98 6.324 -7.520 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 98 6.618 -8.136 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.693 -6.679 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.044 -7.515 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 98 3.870 -9.585 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.664 -9.101 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.309 -8.780 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.192 -7.428 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.716 -8.822 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.167 -7.137 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.938 -8.295 -2.714 1.00 0.00 H new ATOM 1469 N VAL A 99 6.617 -10.502 -2.665 1.00 0.00 N ATOM 1470 CA VAL A 99 6.626 -11.917 -3.020 1.00 0.00 C ATOM 1471 C VAL A 99 5.540 -12.679 -2.269 1.00 0.00 C ATOM 1472 O VAL A 99 5.371 -12.510 -1.061 1.00 0.00 O ATOM 1473 CB VAL A 99 7.992 -12.562 -2.720 1.00 0.00 C ATOM 1474 CG1 VAL A 99 8.021 -14.002 -3.208 1.00 0.00 C ATOM 1475 CG2 VAL A 99 9.114 -11.753 -3.354 1.00 0.00 C ATOM 0 H VAL A 99 7.184 -10.268 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 99 6.432 -11.976 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 99 8.143 -12.566 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.994 -14.441 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.242 -14.573 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.848 -14.025 -4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.072 -12.223 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.970 -11.715 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.105 -10.740 -2.951 1.00 0.00 H new ATOM 1485 N VAL A 100 4.807 -13.519 -2.992 1.00 0.00 N ATOM 1486 CA VAL A 100 3.737 -14.309 -2.393 1.00 0.00 C ATOM 1487 C VAL A 100 3.918 -15.793 -2.692 1.00 0.00 C ATOM 1488 O VAL A 100 3.874 -16.214 -3.847 1.00 0.00 O ATOM 1489 CB VAL A 100 2.355 -13.859 -2.902 1.00 0.00 C ATOM 1490 CG1 VAL A 100 1.262 -14.758 -2.344 1.00 0.00 C ATOM 1491 CG2 VAL A 100 2.100 -12.405 -2.535 1.00 0.00 C ATOM 0 H VAL A 100 4.934 -13.670 -3.993 1.00 0.00 H new ATOM 0 HA VAL A 100 3.789 -14.149 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 100 2.342 -13.943 -3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.292 -14.425 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.438 -15.786 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.271 -14.709 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.119 -12.104 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.132 -12.292 -1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.866 -11.776 -2.988 1.00 0.00 H new ATOM 1501 N ALA A 101 4.121 -16.582 -1.642 1.00 0.00 N ATOM 1502 CA ALA A 101 4.306 -18.020 -1.791 1.00 0.00 C ATOM 1503 C ALA A 101 2.970 -18.754 -1.739 1.00 0.00 C ATOM 1504 O ALA A 101 2.273 -18.724 -0.725 1.00 0.00 O ATOM 1505 CB ALA A 101 5.241 -18.547 -0.712 1.00 0.00 C ATOM 0 H ALA A 101 4.161 -16.249 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 101 4.755 -18.204 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.370 -19.622 -0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.209 -18.053 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.815 -18.343 0.270 1.00 0.00 H new ATOM 1511 N ALA A 102 2.618 -19.411 -2.839 1.00 0.00 N ATOM 1512 CA ALA A 102 1.366 -20.153 -2.918 1.00 0.00 C ATOM 1513 C ALA A 102 1.101 -20.922 -1.629 1.00 0.00 C ATOM 1514 O ALA A 102 2.026 -21.231 -0.876 1.00 0.00 O ATOM 1515 CB ALA A 102 1.390 -21.104 -4.106 1.00 0.00 C ATOM 0 H ALA A 102 3.182 -19.444 -3.688 1.00 0.00 H new ATOM 0 HA ALA A 102 0.556 -19.436 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.449 -21.652 -4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.524 -20.534 -5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.214 -21.808 -3.992 1.00 0.00 H new ATOM 1521 N LYS A 103 -0.167 -21.228 -1.378 1.00 0.00 N ATOM 1522 CA LYS A 103 -0.555 -21.962 -0.179 1.00 0.00 C ATOM 1523 C LYS A 103 -0.009 -23.385 -0.211 1.00 0.00 C ATOM 1524 O LYS A 103 0.674 -23.819 0.716 1.00 0.00 O ATOM 1525 CB LYS A 103 -2.079 -21.992 -0.045 1.00 0.00 C ATOM 1526 CG LYS A 103 -2.562 -22.534 1.289 1.00 0.00 C ATOM 1527 CD LYS A 103 -2.770 -24.038 1.238 1.00 0.00 C ATOM 1528 CE LYS A 103 -4.188 -24.391 0.817 1.00 0.00 C ATOM 1529 NZ LYS A 103 -4.320 -24.487 -0.663 1.00 0.00 N ATOM 0 H LYS A 103 -0.945 -20.979 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.131 -21.448 0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.467 -20.982 -0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.494 -22.602 -0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.836 -22.292 2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.497 -22.046 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -2.061 -24.481 0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.562 -24.468 2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.475 -25.340 1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.877 -23.636 1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.864 -25.339 -0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.814 -23.645 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -3.375 -24.544 -1.093 1.00 0.00 H new ATOM 1543 N GLU A 104 -0.313 -24.107 -1.286 1.00 0.00 N ATOM 1544 CA GLU A 104 0.149 -25.481 -1.438 1.00 0.00 C ATOM 1545 C GLU A 104 0.376 -25.820 -2.909 1.00 0.00 C ATOM 1546 O GLU A 104 -0.309 -25.299 -3.789 1.00 0.00 O ATOM 1547 CB GLU A 104 -0.863 -26.454 -0.830 1.00 0.00 C ATOM 1548 CG GLU A 104 -0.635 -26.725 0.648 1.00 0.00 C ATOM 1549 CD GLU A 104 -1.731 -27.575 1.261 1.00 0.00 C ATOM 1550 OE1 GLU A 104 -2.293 -28.428 0.543 1.00 0.00 O ATOM 1551 OE2 GLU A 104 -2.027 -27.386 2.460 1.00 0.00 O ATOM 0 H GLU A 104 -0.877 -23.763 -2.063 1.00 0.00 H new ATOM 0 HA GLU A 104 1.098 -25.578 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.867 -26.053 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.820 -27.397 -1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.324 -27.226 0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.574 -25.777 1.182 1.00 0.00 H new ATOM 1558 N SER A 105 1.342 -26.696 -3.167 1.00 0.00 N ATOM 1559 CA SER A 105 1.662 -27.101 -4.530 1.00 0.00 C ATOM 1560 C SER A 105 1.451 -28.600 -4.715 1.00 0.00 C ATOM 1561 O SER A 105 2.251 -29.413 -4.254 1.00 0.00 O ATOM 1562 CB SER A 105 3.108 -26.732 -4.868 1.00 0.00 C ATOM 1563 OG SER A 105 4.019 -27.422 -4.030 1.00 0.00 O ATOM 0 H SER A 105 1.916 -27.139 -2.450 1.00 0.00 H new ATOM 0 HA SER A 105 0.992 -26.571 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 105 3.314 -26.973 -5.911 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.248 -25.657 -4.756 1.00 0.00 H new ATOM 0 HG SER A 105 3.605 -28.250 -3.709 1.00 0.00 H new ATOM 1569 N GLY A 106 0.366 -28.959 -5.395 1.00 0.00 N ATOM 1570 CA GLY A 106 0.067 -30.360 -5.630 1.00 0.00 C ATOM 1571 C GLY A 106 -1.242 -30.558 -6.367 1.00 0.00 C ATOM 1572 O GLY A 106 -2.298 -30.742 -5.762 1.00 0.00 O ATOM 0 H GLY A 106 -0.311 -28.305 -5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 106 0.876 -30.809 -6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 106 0.026 -30.885 -4.675 1.00 0.00 H new ATOM 1576 N PRO A 107 -1.183 -30.521 -7.707 1.00 0.00 N ATOM 1577 CA PRO A 107 -2.365 -30.694 -8.556 1.00 0.00 C ATOM 1578 C PRO A 107 -2.898 -32.123 -8.522 1.00 0.00 C ATOM 1579 O PRO A 107 -2.508 -32.961 -9.334 1.00 0.00 O ATOM 1580 CB PRO A 107 -1.850 -30.349 -9.956 1.00 0.00 C ATOM 1581 CG PRO A 107 -0.387 -30.627 -9.900 1.00 0.00 C ATOM 1582 CD PRO A 107 0.042 -30.306 -8.495 1.00 0.00 C ATOM 0 HA PRO A 107 -3.197 -30.072 -8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -2.339 -30.955 -10.718 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.046 -29.306 -10.204 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.178 -31.669 -10.143 1.00 0.00 H new ATOM 0 HG3 PRO A 107 0.154 -30.016 -10.622 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.852 -30.956 -8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 107 0.401 -29.280 -8.409 1.00 0.00 H new ATOM 1590 N SER A 108 -3.794 -32.393 -7.577 1.00 0.00 N ATOM 1591 CA SER A 108 -4.378 -33.721 -7.436 1.00 0.00 C ATOM 1592 C SER A 108 -5.810 -33.632 -6.915 1.00 0.00 C ATOM 1593 O SER A 108 -6.063 -33.053 -5.858 1.00 0.00 O ATOM 1594 CB SER A 108 -3.532 -34.576 -6.490 1.00 0.00 C ATOM 1595 OG SER A 108 -3.850 -35.950 -6.623 1.00 0.00 O ATOM 0 H SER A 108 -4.131 -31.710 -6.899 1.00 0.00 H new ATOM 0 HA SER A 108 -4.396 -34.189 -8.420 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.474 -34.422 -6.703 1.00 0.00 H new ATOM 0 HB3 SER A 108 -3.699 -34.259 -5.461 1.00 0.00 H new ATOM 0 HG SER A 108 -3.295 -36.475 -6.009 1.00 0.00 H new ATOM 1601 N SER A 109 -6.743 -34.209 -7.665 1.00 0.00 N ATOM 1602 CA SER A 109 -8.150 -34.192 -7.283 1.00 0.00 C ATOM 1603 C SER A 109 -8.816 -35.527 -7.603 1.00 0.00 C ATOM 1604 O SER A 109 -8.400 -36.237 -8.518 1.00 0.00 O ATOM 1605 CB SER A 109 -8.882 -33.058 -8.002 1.00 0.00 C ATOM 1606 OG SER A 109 -9.155 -33.402 -9.350 1.00 0.00 O ATOM 0 H SER A 109 -6.550 -34.694 -8.541 1.00 0.00 H new ATOM 0 HA SER A 109 -8.207 -34.026 -6.207 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.815 -32.837 -7.484 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.277 -32.152 -7.970 1.00 0.00 H new ATOM 0 HG SER A 109 -9.625 -32.662 -9.788 1.00 0.00 H new ATOM 1612 N GLY A 110 -9.853 -35.861 -6.841 1.00 0.00 N ATOM 1613 CA GLY A 110 -10.561 -37.110 -7.059 1.00 0.00 C ATOM 1614 C GLY A 110 -9.742 -38.319 -6.653 1.00 0.00 C ATOM 1615 O GLY A 110 -9.991 -39.430 -7.119 1.00 0.00 O ATOM 0 H GLY A 110 -10.215 -35.290 -6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.493 -37.099 -6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -10.829 -37.193 -8.112 1.00 0.00 H new TER 1619 GLY A 110