USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 35 CYS SG : rot -126:sc= 1.01 USER MOD Set 1.2: A 71 THR OG1 : rot 149:sc= 1.34 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00174 USER MOD Single : A 16 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.9) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.0631 X(o=0.063,f=-0.037) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0.054) USER MOD Single : A 37 SER OG : rot 170:sc= -0.28 USER MOD Single : A 38 THR OG1 : rot -87:sc= 0.0824 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -166:sc= -6.11! (180deg=-7.04!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.03 K(o=-0.03,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.655 USER MOD Single : A 58 GLN : amide:sc= -0.915 X(o=-0.92,f=-0.69) USER MOD Single : A 60 MET CE :methyl -150:sc= -0.832 (180deg=-2.79!) USER MOD Single : A 69 SER OG : rot 180:sc= -0.047 USER MOD Single : A 80 MET CE :methyl -165:sc= -5.51 (180deg=-7.12!) USER MOD Single : A 81 MET CE :methyl 172:sc=-0.00761 (180deg=-0.172) USER MOD Single : A 84 CYS SG : rot 62:sc= 0.191 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.768 -4.293 -17.853 1.00 0.00 N ATOM 47 CA ILE A 4 8.742 -5.176 -17.284 1.00 0.00 C ATOM 48 C ILE A 4 7.436 -4.409 -17.066 1.00 0.00 C ATOM 49 O ILE A 4 6.354 -4.994 -17.063 1.00 0.00 O ATOM 50 CB ILE A 4 9.198 -5.785 -15.946 1.00 0.00 C ATOM 51 CG1 ILE A 4 9.404 -4.684 -14.894 1.00 0.00 C ATOM 52 CG2 ILE A 4 10.508 -6.548 -16.146 1.00 0.00 C ATOM 53 CD1 ILE A 4 8.081 -4.396 -14.180 1.00 0.00 C ATOM 0 HA ILE A 4 8.580 -5.984 -17.998 1.00 0.00 H new ATOM 0 HB ILE A 4 8.425 -6.468 -15.595 1.00 0.00 H new ATOM 0 HG12 ILE A 4 10.158 -4.995 -14.171 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.775 -3.777 -15.371 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.827 -6.978 -15.197 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.357 -7.346 -16.873 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.275 -5.865 -16.511 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.232 -3.615 -13.435 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.339 -4.065 -14.907 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.728 -5.303 -13.688 1.00 0.00 H new ATOM 65 N TYR A 5 7.558 -3.090 -16.883 1.00 0.00 N ATOM 66 CA TYR A 5 6.394 -2.231 -16.664 1.00 0.00 C ATOM 67 C TYR A 5 5.608 -2.051 -17.958 1.00 0.00 C ATOM 68 O TYR A 5 4.385 -1.911 -17.940 1.00 0.00 O ATOM 69 CB TYR A 5 6.841 -0.858 -16.155 1.00 0.00 C ATOM 70 CG TYR A 5 7.524 -1.029 -14.820 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.758 -1.228 -13.670 1.00 0.00 C ATOM 72 CD2 TYR A 5 8.921 -1.002 -14.737 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.384 -1.397 -12.431 1.00 0.00 C ATOM 74 CE2 TYR A 5 9.551 -1.174 -13.499 1.00 0.00 C ATOM 75 CZ TYR A 5 8.782 -1.370 -12.343 1.00 0.00 C ATOM 76 OH TYR A 5 9.400 -1.542 -11.122 1.00 0.00 O ATOM 0 H TYR A 5 8.451 -2.596 -16.883 1.00 0.00 H new ATOM 0 HA TYR A 5 5.756 -2.708 -15.921 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.521 -0.394 -16.870 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.982 -0.195 -16.056 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.680 -1.251 -13.737 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.512 -0.849 -15.628 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.790 -1.548 -11.542 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.629 -1.156 -13.434 1.00 0.00 H new ATOM 0 HH TYR A 5 10.372 -1.497 -11.238 1.00 0.00 H new ATOM 86 N LYS A 6 6.327 -2.067 -19.080 1.00 0.00 N ATOM 87 CA LYS A 6 5.695 -1.915 -20.393 1.00 0.00 C ATOM 88 C LYS A 6 4.991 -3.208 -20.782 1.00 0.00 C ATOM 89 O LYS A 6 3.882 -3.194 -21.315 1.00 0.00 O ATOM 90 CB LYS A 6 6.736 -1.560 -21.466 1.00 0.00 C ATOM 91 CG LYS A 6 7.685 -0.470 -20.946 1.00 0.00 C ATOM 92 CD LYS A 6 6.878 0.630 -20.244 1.00 0.00 C ATOM 93 CE LYS A 6 7.784 1.397 -19.274 1.00 0.00 C ATOM 94 NZ LYS A 6 8.588 2.406 -20.025 1.00 0.00 N ATOM 0 H LYS A 6 7.340 -2.183 -19.108 1.00 0.00 H new ATOM 0 HA LYS A 6 4.969 -1.105 -20.328 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.306 -2.449 -21.738 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.234 -1.214 -22.370 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.406 -0.903 -20.253 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.254 -0.045 -21.773 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.458 1.313 -20.982 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.040 0.191 -19.703 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.181 1.892 -18.513 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.446 0.704 -18.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.201 2.924 -19.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.175 1.923 -20.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.949 3.075 -20.501 1.00 0.00 H new ATOM 108 N ALA A 7 5.651 -4.327 -20.489 1.00 0.00 N ATOM 109 CA ALA A 7 5.092 -5.644 -20.787 1.00 0.00 C ATOM 110 C ALA A 7 3.977 -5.999 -19.795 1.00 0.00 C ATOM 111 O ALA A 7 3.087 -6.791 -20.108 1.00 0.00 O ATOM 112 CB ALA A 7 6.183 -6.712 -20.707 1.00 0.00 C ATOM 0 H ALA A 7 6.570 -4.348 -20.047 1.00 0.00 H new ATOM 0 HA ALA A 7 4.680 -5.612 -21.795 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.753 -7.688 -20.931 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.967 -6.486 -21.430 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.607 -6.724 -19.703 1.00 0.00 H new ATOM 118 N ALA A 8 4.042 -5.411 -18.592 1.00 0.00 N ATOM 119 CA ALA A 8 3.043 -5.677 -17.555 1.00 0.00 C ATOM 120 C ALA A 8 1.816 -4.772 -17.705 1.00 0.00 C ATOM 121 O ALA A 8 0.695 -5.196 -17.418 1.00 0.00 O ATOM 122 CB ALA A 8 3.641 -5.465 -16.164 1.00 0.00 C ATOM 0 H ALA A 8 4.771 -4.753 -18.317 1.00 0.00 H new ATOM 0 HA ALA A 8 2.733 -6.715 -17.673 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.883 -5.668 -15.407 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.484 -6.142 -16.023 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.983 -4.434 -16.068 1.00 0.00 H new ATOM 128 N VAL A 9 2.031 -3.526 -18.150 1.00 0.00 N ATOM 129 CA VAL A 9 0.915 -2.586 -18.320 1.00 0.00 C ATOM 130 C VAL A 9 -0.104 -3.129 -19.332 1.00 0.00 C ATOM 131 O VAL A 9 -1.307 -2.888 -19.204 1.00 0.00 O ATOM 132 CB VAL A 9 1.424 -1.202 -18.768 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.603 -1.155 -20.290 1.00 0.00 C ATOM 134 CG2 VAL A 9 0.416 -0.128 -18.345 1.00 0.00 C ATOM 0 H VAL A 9 2.948 -3.151 -18.394 1.00 0.00 H new ATOM 0 HA VAL A 9 0.422 -2.475 -17.354 1.00 0.00 H new ATOM 0 HB VAL A 9 2.389 -1.018 -18.296 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.963 -0.169 -20.584 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.327 -1.911 -20.595 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.647 -1.352 -20.775 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.774 0.852 -18.661 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.548 -0.330 -18.812 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.304 -0.141 -17.261 1.00 0.00 H new ATOM 144 N GLU A 10 0.390 -3.876 -20.328 1.00 0.00 N ATOM 145 CA GLU A 10 -0.482 -4.464 -21.348 1.00 0.00 C ATOM 146 C GLU A 10 -1.313 -5.614 -20.763 1.00 0.00 C ATOM 147 O GLU A 10 -2.386 -5.937 -21.277 1.00 0.00 O ATOM 148 CB GLU A 10 0.348 -5.001 -22.520 1.00 0.00 C ATOM 149 CG GLU A 10 0.814 -3.835 -23.398 1.00 0.00 C ATOM 150 CD GLU A 10 2.001 -4.277 -24.252 1.00 0.00 C ATOM 151 OE1 GLU A 10 3.056 -4.525 -23.689 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.838 -4.359 -25.458 1.00 0.00 O ATOM 0 H GLU A 10 1.381 -4.085 -20.447 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.151 -3.679 -21.700 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.209 -5.554 -22.145 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.246 -5.699 -23.110 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.002 -3.500 -24.038 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.098 -2.988 -22.774 1.00 0.00 H new ATOM 159 N GLN A 11 -0.810 -6.225 -19.681 1.00 0.00 N ATOM 160 CA GLN A 11 -1.519 -7.334 -19.035 1.00 0.00 C ATOM 161 C GLN A 11 -2.642 -6.811 -18.135 1.00 0.00 C ATOM 162 O GLN A 11 -3.651 -7.491 -17.931 1.00 0.00 O ATOM 163 CB GLN A 11 -0.558 -8.175 -18.187 1.00 0.00 C ATOM 164 CG GLN A 11 0.635 -8.614 -19.042 1.00 0.00 C ATOM 165 CD GLN A 11 1.527 -9.557 -18.238 1.00 0.00 C ATOM 166 OE1 GLN A 11 1.760 -10.695 -18.646 1.00 0.00 O ATOM 167 NE2 GLN A 11 2.046 -9.152 -17.109 1.00 0.00 N ATOM 0 H GLN A 11 0.075 -5.973 -19.240 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.944 -7.953 -19.825 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.211 -7.596 -17.331 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.076 -9.049 -17.792 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.283 -9.113 -19.945 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.206 -7.742 -19.361 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.855 -8.210 -16.769 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.642 -9.778 -16.568 1.00 0.00 H new ATOM 176 N LEU A 12 -2.455 -5.598 -17.599 1.00 0.00 N ATOM 177 CA LEU A 12 -3.457 -4.992 -16.721 1.00 0.00 C ATOM 178 C LEU A 12 -4.770 -4.781 -17.472 1.00 0.00 C ATOM 179 O LEU A 12 -4.800 -4.165 -18.539 1.00 0.00 O ATOM 180 CB LEU A 12 -2.970 -3.639 -16.184 1.00 0.00 C ATOM 181 CG LEU A 12 -1.538 -3.616 -15.628 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.361 -2.387 -14.731 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.275 -4.885 -14.809 1.00 0.00 C ATOM 0 H LEU A 12 -1.627 -5.024 -17.757 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.617 -5.674 -15.886 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.040 -2.905 -16.986 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.651 -3.316 -15.396 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.832 -3.572 -16.457 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.346 -2.369 -14.335 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.540 -1.483 -15.313 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.071 -2.434 -13.906 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.258 -4.861 -14.418 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.981 -4.936 -13.980 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.399 -5.761 -15.446 1.00 0.00 H new ATOM 195 N THR A 13 -5.855 -5.305 -16.897 1.00 0.00 N ATOM 196 CA THR A 13 -7.179 -5.179 -17.514 1.00 0.00 C ATOM 197 C THR A 13 -7.877 -3.910 -17.026 1.00 0.00 C ATOM 198 O THR A 13 -7.443 -3.276 -16.064 1.00 0.00 O ATOM 199 CB THR A 13 -8.057 -6.397 -17.181 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.621 -6.995 -15.965 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.960 -7.421 -18.314 1.00 0.00 C ATOM 0 H THR A 13 -5.845 -5.816 -16.014 1.00 0.00 H new ATOM 0 HA THR A 13 -7.038 -5.125 -18.594 1.00 0.00 H new ATOM 0 HB THR A 13 -9.091 -6.070 -17.068 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.187 -7.769 -15.760 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.582 -8.284 -18.078 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.304 -6.968 -19.244 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.924 -7.741 -18.428 1.00 0.00 H new ATOM 209 N ASP A 14 -8.976 -3.556 -17.695 1.00 0.00 N ATOM 210 CA ASP A 14 -9.743 -2.368 -17.316 1.00 0.00 C ATOM 211 C ASP A 14 -10.393 -2.578 -15.949 1.00 0.00 C ATOM 212 O ASP A 14 -10.562 -1.634 -15.177 1.00 0.00 O ATOM 213 CB ASP A 14 -10.834 -2.077 -18.352 1.00 0.00 C ATOM 214 CG ASP A 14 -10.196 -1.545 -19.634 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.873 -0.369 -19.669 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.039 -2.323 -20.561 1.00 0.00 O ATOM 0 H ASP A 14 -9.352 -4.068 -18.493 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.058 -1.521 -17.271 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.399 -2.985 -18.565 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.540 -1.348 -17.956 1.00 0.00 H new ATOM 221 N GLU A 15 -10.742 -3.837 -15.663 1.00 0.00 N ATOM 222 CA GLU A 15 -11.364 -4.196 -14.390 1.00 0.00 C ATOM 223 C GLU A 15 -10.402 -3.956 -13.223 1.00 0.00 C ATOM 224 O GLU A 15 -10.803 -3.458 -12.169 1.00 0.00 O ATOM 225 CB GLU A 15 -11.788 -5.671 -14.412 1.00 0.00 C ATOM 226 CG GLU A 15 -10.554 -6.582 -14.452 1.00 0.00 C ATOM 227 CD GLU A 15 -10.942 -7.954 -14.988 1.00 0.00 C ATOM 228 OE1 GLU A 15 -11.042 -8.090 -16.197 1.00 0.00 O ATOM 229 OE2 GLU A 15 -11.128 -8.852 -14.183 1.00 0.00 O ATOM 0 H GLU A 15 -10.603 -4.623 -16.298 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.242 -3.565 -14.251 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.386 -5.897 -13.529 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.417 -5.862 -15.281 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.784 -6.139 -15.084 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.130 -6.679 -13.453 1.00 0.00 H new ATOM 236 N GLN A 16 -9.126 -4.310 -13.426 1.00 0.00 N ATOM 237 CA GLN A 16 -8.110 -4.123 -12.386 1.00 0.00 C ATOM 238 C GLN A 16 -7.909 -2.630 -12.099 1.00 0.00 C ATOM 239 O GLN A 16 -7.673 -2.235 -10.957 1.00 0.00 O ATOM 240 CB GLN A 16 -6.773 -4.787 -12.788 1.00 0.00 C ATOM 241 CG GLN A 16 -5.893 -3.832 -13.613 1.00 0.00 C ATOM 242 CD GLN A 16 -4.858 -3.163 -12.707 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.056 -2.037 -12.251 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.752 -3.795 -12.419 1.00 0.00 N ATOM 0 H GLN A 16 -8.777 -4.723 -14.291 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.462 -4.608 -11.476 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.235 -5.096 -11.892 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.973 -5.689 -13.366 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.391 -4.382 -14.409 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.513 -3.075 -14.092 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.585 -4.728 -12.795 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.055 -3.355 -11.818 1.00 0.00 H new ATOM 253 N LYS A 17 -8.026 -1.807 -13.149 1.00 0.00 N ATOM 254 CA LYS A 17 -7.876 -0.360 -13.002 1.00 0.00 C ATOM 255 C LYS A 17 -9.152 0.248 -12.416 1.00 0.00 C ATOM 256 O LYS A 17 -9.099 1.236 -11.685 1.00 0.00 O ATOM 257 CB LYS A 17 -7.582 0.294 -14.356 1.00 0.00 C ATOM 258 CG LYS A 17 -6.067 0.438 -14.540 1.00 0.00 C ATOM 259 CD LYS A 17 -5.570 -0.583 -15.570 1.00 0.00 C ATOM 260 CE LYS A 17 -5.887 -0.089 -16.986 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.798 0.813 -17.461 1.00 0.00 N ATOM 0 H LYS A 17 -8.222 -2.118 -14.100 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.040 -0.174 -12.327 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.000 -0.310 -15.161 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.060 1.272 -14.410 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.826 1.448 -14.870 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.559 0.284 -13.588 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.496 -0.732 -15.459 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.045 -1.549 -15.397 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.990 -0.937 -17.663 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.839 0.441 -16.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.017 1.146 -18.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.720 1.629 -16.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.897 0.294 -17.472 1.00 0.00 H new ATOM 275 N ASN A 18 -10.298 -0.366 -12.738 1.00 0.00 N ATOM 276 CA ASN A 18 -11.590 0.105 -12.229 1.00 0.00 C ATOM 277 C ASN A 18 -11.634 -0.020 -10.705 1.00 0.00 C ATOM 278 O ASN A 18 -12.059 0.902 -10.006 1.00 0.00 O ATOM 279 CB ASN A 18 -12.737 -0.715 -12.834 1.00 0.00 C ATOM 280 CG ASN A 18 -13.397 0.080 -13.958 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.027 1.107 -13.713 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.294 -0.343 -15.190 1.00 0.00 N ATOM 0 H ASN A 18 -10.356 -1.184 -13.344 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.707 1.151 -12.513 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.357 -1.662 -13.219 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.471 -0.955 -12.065 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.736 0.179 -15.947 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.772 -1.195 -15.395 1.00 0.00 H new ATOM 289 N GLU A 19 -11.171 -1.170 -10.203 1.00 0.00 N ATOM 290 CA GLU A 19 -11.139 -1.417 -8.758 1.00 0.00 C ATOM 291 C GLU A 19 -10.077 -0.544 -8.100 1.00 0.00 C ATOM 292 O GLU A 19 -10.291 0.014 -7.026 1.00 0.00 O ATOM 293 CB GLU A 19 -10.810 -2.883 -8.461 1.00 0.00 C ATOM 294 CG GLU A 19 -11.847 -3.789 -9.124 1.00 0.00 C ATOM 295 CD GLU A 19 -11.393 -5.245 -9.033 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.278 -5.743 -7.923 1.00 0.00 O ATOM 297 OE2 GLU A 19 -11.169 -5.840 -10.075 1.00 0.00 O ATOM 0 H GLU A 19 -10.816 -1.939 -10.771 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.125 -1.178 -8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.813 -3.124 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.800 -3.053 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.814 -3.669 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.979 -3.504 -10.168 1.00 0.00 H new ATOM 304 N PHE A 20 -8.924 -0.446 -8.767 1.00 0.00 N ATOM 305 CA PHE A 20 -7.806 0.353 -8.258 1.00 0.00 C ATOM 306 C PHE A 20 -8.182 1.832 -8.156 1.00 0.00 C ATOM 307 O PHE A 20 -7.819 2.505 -7.191 1.00 0.00 O ATOM 308 CB PHE A 20 -6.587 0.206 -9.178 1.00 0.00 C ATOM 309 CG PHE A 20 -5.780 -1.016 -8.787 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.351 -2.026 -7.999 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.456 -1.132 -9.218 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.597 -3.147 -7.645 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.701 -2.252 -8.864 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.270 -3.261 -8.077 1.00 0.00 C ATOM 0 H PHE A 20 -8.740 -0.908 -9.658 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.563 -0.016 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.913 0.119 -10.214 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.964 1.098 -9.114 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.374 -1.937 -7.666 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.016 -0.355 -9.825 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.037 -3.925 -7.039 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.678 -2.340 -9.197 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.685 -4.127 -7.803 1.00 0.00 H new ATOM 324 N LYS A 21 -8.915 2.327 -9.156 1.00 0.00 N ATOM 325 CA LYS A 21 -9.338 3.729 -9.166 1.00 0.00 C ATOM 326 C LYS A 21 -10.365 3.988 -8.064 1.00 0.00 C ATOM 327 O LYS A 21 -10.318 5.016 -7.390 1.00 0.00 O ATOM 328 CB LYS A 21 -9.946 4.099 -10.526 1.00 0.00 C ATOM 329 CG LYS A 21 -10.296 5.592 -10.557 1.00 0.00 C ATOM 330 CD LYS A 21 -9.049 6.426 -10.239 1.00 0.00 C ATOM 331 CE LYS A 21 -9.331 7.900 -10.538 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.519 8.759 -9.628 1.00 0.00 N ATOM 0 H LYS A 21 -9.225 1.784 -9.962 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.458 4.347 -8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.241 3.866 -11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.841 3.504 -10.707 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.685 5.863 -11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.082 5.806 -9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.773 6.303 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.204 6.078 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.089 8.123 -11.577 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.392 8.112 -10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.712 9.760 -9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.770 8.553 -8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.508 8.564 -9.776 1.00 0.00 H new ATOM 346 N ALA A 22 -11.291 3.040 -7.885 1.00 0.00 N ATOM 347 CA ALA A 22 -12.324 3.173 -6.857 1.00 0.00 C ATOM 348 C ALA A 22 -11.717 3.033 -5.461 1.00 0.00 C ATOM 349 O ALA A 22 -12.015 3.821 -4.564 1.00 0.00 O ATOM 350 CB ALA A 22 -13.408 2.110 -7.044 1.00 0.00 C ATOM 0 H ALA A 22 -11.345 2.182 -8.433 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.769 4.163 -6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.167 2.225 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.868 2.228 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.962 1.118 -6.970 1.00 0.00 H new ATOM 356 N ALA A 23 -10.853 2.025 -5.293 1.00 0.00 N ATOM 357 CA ALA A 23 -10.193 1.785 -4.003 1.00 0.00 C ATOM 358 C ALA A 23 -9.274 2.954 -3.631 1.00 0.00 C ATOM 359 O ALA A 23 -8.993 3.183 -2.454 1.00 0.00 O ATOM 360 CB ALA A 23 -9.364 0.497 -4.050 1.00 0.00 C ATOM 0 H ALA A 23 -10.595 1.366 -6.028 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.975 1.688 -3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.884 0.338 -3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.016 -0.347 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.602 0.583 -4.825 1.00 0.00 H new ATOM 366 N PHE A 24 -8.816 3.693 -4.646 1.00 0.00 N ATOM 367 CA PHE A 24 -7.939 4.840 -4.419 1.00 0.00 C ATOM 368 C PHE A 24 -8.768 6.087 -4.105 1.00 0.00 C ATOM 369 O PHE A 24 -8.540 6.760 -3.101 1.00 0.00 O ATOM 370 CB PHE A 24 -7.090 5.112 -5.668 1.00 0.00 C ATOM 371 CG PHE A 24 -5.859 5.911 -5.302 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.909 7.313 -5.281 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.663 5.250 -4.998 1.00 0.00 C ATOM 374 CE1 PHE A 24 -4.763 8.047 -4.953 1.00 0.00 C ATOM 375 CE2 PHE A 24 -3.520 5.987 -4.668 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.571 7.385 -4.646 1.00 0.00 C ATOM 0 H PHE A 24 -9.038 3.517 -5.626 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.289 4.611 -3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.796 4.169 -6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.680 5.657 -6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.830 7.825 -5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.622 4.171 -5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.800 9.126 -4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.598 5.477 -4.430 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.688 7.953 -4.392 1.00 0.00 H new ATOM 386 N ASP A 25 -9.724 6.385 -4.992 1.00 0.00 N ATOM 387 CA ASP A 25 -10.582 7.566 -4.840 1.00 0.00 C ATOM 388 C ASP A 25 -11.325 7.589 -3.499 1.00 0.00 C ATOM 389 O ASP A 25 -11.469 8.653 -2.894 1.00 0.00 O ATOM 390 CB ASP A 25 -11.613 7.623 -5.973 1.00 0.00 C ATOM 391 CG ASP A 25 -11.957 9.078 -6.287 1.00 0.00 C ATOM 392 OD1 ASP A 25 -12.578 9.717 -5.450 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.596 9.532 -7.360 1.00 0.00 O ATOM 0 H ASP A 25 -9.923 5.826 -5.821 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.922 8.433 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.217 7.133 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.514 7.081 -5.685 1.00 0.00 H new ATOM 398 N ILE A 26 -11.807 6.426 -3.040 1.00 0.00 N ATOM 399 CA ILE A 26 -12.544 6.366 -1.766 1.00 0.00 C ATOM 400 C ILE A 26 -11.726 6.993 -0.630 1.00 0.00 C ATOM 401 O ILE A 26 -12.276 7.667 0.244 1.00 0.00 O ATOM 402 CB ILE A 26 -12.906 4.921 -1.398 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.647 4.043 -1.422 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.931 4.385 -2.403 1.00 0.00 C ATOM 405 CD1 ILE A 26 -12.008 2.608 -1.034 1.00 0.00 C ATOM 0 H ILE A 26 -11.704 5.531 -3.518 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.465 6.934 -1.899 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.332 4.899 -0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.200 4.059 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.903 4.440 -0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.191 3.358 -2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.827 5.005 -2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.505 4.410 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.111 1.989 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.434 2.599 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.736 2.212 -1.742 1.00 0.00 H new ATOM 417 N PHE A 27 -10.409 6.777 -0.664 1.00 0.00 N ATOM 418 CA PHE A 27 -9.518 7.338 0.354 1.00 0.00 C ATOM 419 C PHE A 27 -9.144 8.784 0.004 1.00 0.00 C ATOM 420 O PHE A 27 -8.908 9.605 0.893 1.00 0.00 O ATOM 421 CB PHE A 27 -8.238 6.505 0.470 1.00 0.00 C ATOM 422 CG PHE A 27 -8.508 5.273 1.303 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.401 5.332 2.699 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.866 4.074 0.680 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.653 4.190 3.468 1.00 0.00 C ATOM 426 CE2 PHE A 27 -9.119 2.931 1.448 1.00 0.00 C ATOM 427 CZ PHE A 27 -9.012 2.989 2.842 1.00 0.00 C ATOM 0 H PHE A 27 -9.939 6.222 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.048 7.320 1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.889 6.217 -0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.446 7.099 0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.124 6.258 3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.948 4.029 -0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.571 4.235 4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.396 2.006 0.965 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.206 2.108 3.436 1.00 0.00 H new ATOM 437 N ILE A 28 -9.096 9.083 -1.301 1.00 0.00 N ATOM 438 CA ILE A 28 -8.752 10.433 -1.768 1.00 0.00 C ATOM 439 C ILE A 28 -10.019 11.270 -1.996 1.00 0.00 C ATOM 440 O ILE A 28 -10.055 12.144 -2.869 1.00 0.00 O ATOM 441 CB ILE A 28 -7.945 10.362 -3.080 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.842 9.299 -2.987 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.292 11.712 -3.378 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.230 9.269 -1.580 1.00 0.00 C ATOM 0 H ILE A 28 -9.289 8.415 -2.047 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.146 10.908 -0.997 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.639 10.099 -3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.254 8.319 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.065 9.510 -3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.726 11.645 -4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.064 12.475 -3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.620 11.979 -2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.451 8.508 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.799 10.243 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.005 9.034 -0.851 1.00 0.00 H new ATOM 456 N GLN A 29 -11.057 11.009 -1.194 1.00 0.00 N ATOM 457 CA GLN A 29 -12.311 11.760 -1.312 1.00 0.00 C ATOM 458 C GLN A 29 -12.106 13.205 -0.850 1.00 0.00 C ATOM 459 O GLN A 29 -12.746 14.128 -1.360 1.00 0.00 O ATOM 460 CB GLN A 29 -13.429 11.109 -0.482 1.00 0.00 C ATOM 461 CG GLN A 29 -12.972 10.911 0.969 1.00 0.00 C ATOM 462 CD GLN A 29 -14.161 10.483 1.824 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.558 9.317 1.806 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.758 11.364 2.581 1.00 0.00 N ATOM 0 H GLN A 29 -11.055 10.294 -0.466 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.609 11.751 -2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.321 11.735 -0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.702 10.148 -0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.187 10.156 1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.546 11.836 1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.430 12.330 2.596 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.553 11.087 3.157 1.00 0.00 H new ATOM 473 N ASP A 30 -11.198 13.388 0.118 1.00 0.00 N ATOM 474 CA ASP A 30 -10.899 14.720 0.644 1.00 0.00 C ATOM 475 C ASP A 30 -9.469 14.769 1.204 1.00 0.00 C ATOM 476 O ASP A 30 -9.220 15.344 2.267 1.00 0.00 O ATOM 477 CB ASP A 30 -11.899 15.090 1.747 1.00 0.00 C ATOM 478 CG ASP A 30 -12.318 16.549 1.589 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.267 16.796 0.863 1.00 0.00 O ATOM 480 OD2 ASP A 30 -11.683 17.397 2.196 1.00 0.00 O ATOM 0 H ASP A 30 -10.663 12.634 0.548 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.983 15.438 -0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.774 14.442 1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.449 14.934 2.727 1.00 0.00 H new ATOM 485 N ALA A 31 -8.529 14.157 0.470 1.00 0.00 N ATOM 486 CA ALA A 31 -7.127 14.133 0.895 1.00 0.00 C ATOM 487 C ALA A 31 -6.483 15.507 0.719 1.00 0.00 C ATOM 488 O ALA A 31 -6.884 16.292 -0.145 1.00 0.00 O ATOM 489 CB ALA A 31 -6.339 13.108 0.074 1.00 0.00 C ATOM 0 H ALA A 31 -8.713 13.677 -0.411 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.104 13.857 1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.299 13.102 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.771 12.117 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.385 13.374 -0.982 1.00 0.00 H new ATOM 495 N GLU A 32 -5.475 15.786 1.548 1.00 0.00 N ATOM 496 CA GLU A 32 -4.766 17.069 1.483 1.00 0.00 C ATOM 497 C GLU A 32 -3.901 17.138 0.227 1.00 0.00 C ATOM 498 O GLU A 32 -3.975 18.096 -0.543 1.00 0.00 O ATOM 499 CB GLU A 32 -3.871 17.262 2.710 1.00 0.00 C ATOM 500 CG GLU A 32 -4.735 17.606 3.929 1.00 0.00 C ATOM 501 CD GLU A 32 -4.311 16.750 5.122 1.00 0.00 C ATOM 502 OE1 GLU A 32 -4.394 15.536 5.018 1.00 0.00 O ATOM 503 OE2 GLU A 32 -3.912 17.322 6.124 1.00 0.00 O ATOM 0 H GLU A 32 -5.132 15.148 2.267 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.517 17.859 1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.299 16.354 2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.151 18.059 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.631 18.663 4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.787 17.433 3.701 1.00 0.00 H new ATOM 510 N ASP A 33 -3.082 16.103 0.032 1.00 0.00 N ATOM 511 CA ASP A 33 -2.199 16.040 -1.134 1.00 0.00 C ATOM 512 C ASP A 33 -2.878 15.298 -2.288 1.00 0.00 C ATOM 513 O ASP A 33 -2.728 15.673 -3.453 1.00 0.00 O ATOM 514 CB ASP A 33 -0.891 15.324 -0.780 1.00 0.00 C ATOM 515 CG ASP A 33 -0.092 16.170 0.207 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.537 17.120 -0.230 1.00 0.00 O ATOM 517 OD2 ASP A 33 -0.121 15.857 1.386 1.00 0.00 O ATOM 0 H ASP A 33 -3.012 15.303 0.661 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.982 17.063 -1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.106 14.347 -0.346 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.305 15.150 -1.682 1.00 0.00 H new ATOM 522 N GLY A 34 -3.625 14.242 -1.949 1.00 0.00 N ATOM 523 CA GLY A 34 -4.326 13.447 -2.959 1.00 0.00 C ATOM 524 C GLY A 34 -3.688 12.065 -3.103 1.00 0.00 C ATOM 525 O GLY A 34 -3.496 11.570 -4.215 1.00 0.00 O ATOM 0 H GLY A 34 -3.758 13.921 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.375 13.341 -2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.301 13.965 -3.918 1.00 0.00 H new ATOM 529 N CYS A 35 -3.363 11.451 -1.962 1.00 0.00 N ATOM 530 CA CYS A 35 -2.745 10.122 -1.958 1.00 0.00 C ATOM 531 C CYS A 35 -3.010 9.419 -0.626 1.00 0.00 C ATOM 532 O CYS A 35 -3.491 10.032 0.330 1.00 0.00 O ATOM 533 CB CYS A 35 -1.227 10.211 -2.192 1.00 0.00 C ATOM 534 SG CYS A 35 -0.628 11.884 -1.831 1.00 0.00 S ATOM 0 H CYS A 35 -3.516 11.849 -1.035 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.190 9.549 -2.771 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.712 9.489 -1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.996 9.950 -3.225 1.00 0.00 H new ATOM 0 HG CYS A 35 0.030 12.340 -2.856 1.00 0.00 H new ATOM 540 N ILE A 36 -2.685 8.126 -0.573 1.00 0.00 N ATOM 541 CA ILE A 36 -2.888 7.347 0.650 1.00 0.00 C ATOM 542 C ILE A 36 -1.559 7.170 1.384 1.00 0.00 C ATOM 543 O ILE A 36 -0.526 7.667 0.938 1.00 0.00 O ATOM 544 CB ILE A 36 -3.496 5.971 0.328 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.633 5.241 -0.709 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.912 6.153 -0.227 1.00 0.00 C ATOM 547 CD1 ILE A 36 -2.122 3.932 -0.110 1.00 0.00 C ATOM 0 H ILE A 36 -2.285 7.602 -1.351 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.583 7.890 1.290 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.533 5.378 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.216 5.040 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.794 5.869 -1.008 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.342 5.178 -0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.531 6.658 0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.872 6.753 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.508 3.411 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.524 4.146 0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.969 3.304 0.167 1.00 0.00 H new ATOM 559 N SER A 37 -1.592 6.465 2.514 1.00 0.00 N ATOM 560 CA SER A 37 -0.376 6.237 3.289 1.00 0.00 C ATOM 561 C SER A 37 0.259 4.906 2.904 1.00 0.00 C ATOM 562 O SER A 37 -0.437 3.926 2.628 1.00 0.00 O ATOM 563 CB SER A 37 -0.678 6.232 4.789 1.00 0.00 C ATOM 564 OG SER A 37 0.505 6.558 5.506 1.00 0.00 O ATOM 0 H SER A 37 -2.435 6.048 2.908 1.00 0.00 H new ATOM 0 HA SER A 37 0.316 7.049 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.465 6.951 5.016 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.044 5.252 5.095 1.00 0.00 H new ATOM 0 HG SER A 37 0.284 6.714 6.448 1.00 0.00 H new ATOM 570 N THR A 38 1.592 4.882 2.901 1.00 0.00 N ATOM 571 CA THR A 38 2.332 3.661 2.564 1.00 0.00 C ATOM 572 C THR A 38 1.901 2.515 3.482 1.00 0.00 C ATOM 573 O THR A 38 1.602 1.414 3.020 1.00 0.00 O ATOM 574 CB THR A 38 3.841 3.885 2.708 1.00 0.00 C ATOM 575 OG1 THR A 38 4.111 4.556 3.933 1.00 0.00 O ATOM 576 CG2 THR A 38 4.342 4.734 1.539 1.00 0.00 C ATOM 0 H THR A 38 2.179 5.685 3.126 1.00 0.00 H new ATOM 0 HA THR A 38 2.109 3.404 1.529 1.00 0.00 H new ATOM 0 HB THR A 38 4.352 2.922 2.705 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.048 5.524 3.796 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.415 4.895 1.640 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.139 4.218 0.601 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.829 5.696 1.542 1.00 0.00 H new ATOM 584 N LYS A 39 1.855 2.798 4.788 1.00 0.00 N ATOM 585 CA LYS A 39 1.439 1.796 5.772 1.00 0.00 C ATOM 586 C LYS A 39 -0.046 1.439 5.600 1.00 0.00 C ATOM 587 O LYS A 39 -0.483 0.358 6.001 1.00 0.00 O ATOM 588 CB LYS A 39 1.674 2.314 7.197 1.00 0.00 C ATOM 589 CG LYS A 39 0.786 3.537 7.468 1.00 0.00 C ATOM 590 CD LYS A 39 1.413 4.393 8.572 1.00 0.00 C ATOM 591 CE LYS A 39 2.507 5.284 7.976 1.00 0.00 C ATOM 592 NZ LYS A 39 2.993 6.240 9.013 1.00 0.00 N ATOM 0 H LYS A 39 2.099 3.705 5.185 1.00 0.00 H new ATOM 0 HA LYS A 39 2.039 0.901 5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.453 1.528 7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.723 2.581 7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.673 4.126 6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.212 3.215 7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.649 5.008 9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.834 3.753 9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.333 4.671 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.117 5.830 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.736 6.844 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.202 6.833 9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.380 5.710 9.820 1.00 0.00 H new ATOM 606 N GLU A 40 -0.816 2.357 4.994 1.00 0.00 N ATOM 607 CA GLU A 40 -2.246 2.131 4.766 1.00 0.00 C ATOM 608 C GLU A 40 -2.492 1.246 3.535 1.00 0.00 C ATOM 609 O GLU A 40 -3.639 0.920 3.225 1.00 0.00 O ATOM 610 CB GLU A 40 -2.970 3.466 4.563 1.00 0.00 C ATOM 611 CG GLU A 40 -4.422 3.349 5.036 1.00 0.00 C ATOM 612 CD GLU A 40 -5.182 4.624 4.675 1.00 0.00 C ATOM 613 OE1 GLU A 40 -5.403 4.845 3.494 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.531 5.359 5.582 1.00 0.00 O ATOM 0 H GLU A 40 -0.472 3.256 4.656 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.635 1.622 5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.460 4.254 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.943 3.748 3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.898 2.486 4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.452 3.188 6.114 1.00 0.00 H new ATOM 621 N LEU A 41 -1.415 0.852 2.835 1.00 0.00 N ATOM 622 CA LEU A 41 -1.559 0.000 1.651 1.00 0.00 C ATOM 623 C LEU A 41 -2.227 -1.326 2.029 1.00 0.00 C ATOM 624 O LEU A 41 -3.038 -1.861 1.275 1.00 0.00 O ATOM 625 CB LEU A 41 -0.197 -0.287 1.008 1.00 0.00 C ATOM 626 CG LEU A 41 -0.226 -1.267 -0.171 1.00 0.00 C ATOM 627 CD1 LEU A 41 -1.272 -0.814 -1.194 1.00 0.00 C ATOM 628 CD2 LEU A 41 1.151 -1.311 -0.836 1.00 0.00 C ATOM 0 H LEU A 41 -0.454 1.106 3.065 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.182 0.533 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.231 0.655 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.472 -0.683 1.772 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.485 -2.261 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.290 -1.513 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.254 -0.788 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.017 0.181 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.128 -2.008 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.412 -0.317 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.895 -1.640 -0.110 1.00 0.00 H new ATOM 640 N GLY A 42 -1.887 -1.842 3.215 1.00 0.00 N ATOM 641 CA GLY A 42 -2.473 -3.094 3.692 1.00 0.00 C ATOM 642 C GLY A 42 -3.986 -2.955 3.901 1.00 0.00 C ATOM 643 O GLY A 42 -4.706 -3.953 3.947 1.00 0.00 O ATOM 0 H GLY A 42 -1.216 -1.416 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.274 -3.889 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.999 -3.386 4.629 1.00 0.00 H new ATOM 647 N LYS A 43 -4.460 -1.706 4.028 1.00 0.00 N ATOM 648 CA LYS A 43 -5.885 -1.448 4.236 1.00 0.00 C ATOM 649 C LYS A 43 -6.634 -1.389 2.901 1.00 0.00 C ATOM 650 O LYS A 43 -7.749 -1.901 2.786 1.00 0.00 O ATOM 651 CB LYS A 43 -6.090 -0.118 4.973 1.00 0.00 C ATOM 652 CG LYS A 43 -5.287 -0.115 6.280 1.00 0.00 C ATOM 653 CD LYS A 43 -5.976 -1.010 7.315 1.00 0.00 C ATOM 654 CE LYS A 43 -4.925 -1.620 8.246 1.00 0.00 C ATOM 655 NZ LYS A 43 -5.483 -2.836 8.907 1.00 0.00 N ATOM 0 H LYS A 43 -3.879 -0.868 3.990 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.280 -2.268 4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.773 0.711 4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.149 0.030 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.273 -0.471 6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.203 0.902 6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.695 -0.429 7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.535 -1.800 6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.031 -1.880 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.625 -0.891 8.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.766 -3.248 9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.324 -2.575 9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.748 -3.534 8.183 1.00 0.00 H new ATOM 669 N VAL A 44 -6.015 -0.756 1.895 1.00 0.00 N ATOM 670 CA VAL A 44 -6.648 -0.637 0.577 1.00 0.00 C ATOM 671 C VAL A 44 -6.703 -1.996 -0.129 1.00 0.00 C ATOM 672 O VAL A 44 -7.688 -2.314 -0.797 1.00 0.00 O ATOM 673 CB VAL A 44 -5.909 0.383 -0.307 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.014 1.775 0.323 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.432 0.005 -0.439 1.00 0.00 C ATOM 0 H VAL A 44 -5.093 -0.326 1.967 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.666 -0.282 0.736 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.367 0.384 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.491 2.498 -0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.063 2.059 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.563 1.760 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.924 0.737 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.970 -0.008 0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.348 -0.983 -0.892 1.00 0.00 H new ATOM 685 N MET A 45 -5.645 -2.801 0.039 1.00 0.00 N ATOM 686 CA MET A 45 -5.602 -4.132 -0.575 1.00 0.00 C ATOM 687 C MET A 45 -6.609 -5.062 0.102 1.00 0.00 C ATOM 688 O MET A 45 -7.190 -5.937 -0.541 1.00 0.00 O ATOM 689 CB MET A 45 -4.204 -4.740 -0.455 1.00 0.00 C ATOM 690 CG MET A 45 -3.201 -3.859 -1.203 1.00 0.00 C ATOM 691 SD MET A 45 -1.574 -4.649 -1.186 1.00 0.00 S ATOM 692 CE MET A 45 -1.280 -4.513 0.594 1.00 0.00 C ATOM 0 H MET A 45 -4.820 -2.558 0.587 1.00 0.00 H new ATOM 0 HA MET A 45 -5.856 -4.022 -1.629 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.920 -4.823 0.594 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.197 -5.749 -0.868 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.531 -3.705 -2.230 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.145 -2.876 -0.735 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.229 -4.712 0.806 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.533 -3.507 0.929 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.900 -5.238 1.122 1.00 0.00 H new ATOM 702 N ARG A 46 -6.814 -4.847 1.406 1.00 0.00 N ATOM 703 CA ARG A 46 -7.765 -5.654 2.176 1.00 0.00 C ATOM 704 C ARG A 46 -9.168 -5.531 1.581 1.00 0.00 C ATOM 705 O ARG A 46 -9.893 -6.520 1.458 1.00 0.00 O ATOM 706 CB ARG A 46 -7.808 -5.191 3.636 1.00 0.00 C ATOM 707 CG ARG A 46 -6.899 -6.079 4.489 1.00 0.00 C ATOM 708 CD ARG A 46 -6.698 -5.430 5.861 1.00 0.00 C ATOM 709 NE ARG A 46 -5.838 -6.259 6.708 1.00 0.00 N ATOM 710 CZ ARG A 46 -6.333 -7.238 7.480 1.00 0.00 C ATOM 711 NH1 ARG A 46 -7.619 -7.504 7.489 1.00 0.00 N ATOM 712 NH2 ARG A 46 -5.524 -7.941 8.232 1.00 0.00 N ATOM 0 H ARG A 46 -6.337 -4.126 1.947 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.435 -6.692 2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.487 -4.152 3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.831 -5.235 4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.342 -7.068 4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.937 -6.216 3.994 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.253 -4.442 5.739 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.664 -5.287 6.345 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.833 -6.087 6.711 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.256 -6.963 6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.981 -8.251 8.081 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.523 -7.743 8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.894 -8.687 8.821 1.00 0.00 H new ATOM 726 N MET A 47 -9.534 -4.300 1.207 1.00 0.00 N ATOM 727 CA MET A 47 -10.847 -4.038 0.615 1.00 0.00 C ATOM 728 C MET A 47 -10.933 -4.631 -0.795 1.00 0.00 C ATOM 729 O MET A 47 -11.989 -5.112 -1.212 1.00 0.00 O ATOM 730 CB MET A 47 -11.112 -2.530 0.545 1.00 0.00 C ATOM 731 CG MET A 47 -11.519 -2.016 1.929 1.00 0.00 C ATOM 732 SD MET A 47 -13.307 -2.201 2.140 1.00 0.00 S ATOM 733 CE MET A 47 -13.785 -0.591 1.467 1.00 0.00 C ATOM 0 H MET A 47 -8.942 -3.475 1.304 1.00 0.00 H new ATOM 0 HA MET A 47 -11.599 -4.509 1.248 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.219 -2.009 0.201 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.901 -2.322 -0.178 1.00 0.00 H new ATOM 0 HG2 MET A 47 -10.991 -2.571 2.704 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.236 -0.969 2.038 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.870 -0.490 1.501 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.328 0.201 2.060 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.446 -0.513 0.434 1.00 0.00 H new ATOM 743 N LEU A 48 -9.808 -4.595 -1.521 1.00 0.00 N ATOM 744 CA LEU A 48 -9.760 -5.136 -2.882 1.00 0.00 C ATOM 745 C LEU A 48 -10.002 -6.647 -2.867 1.00 0.00 C ATOM 746 O LEU A 48 -10.928 -7.143 -3.511 1.00 0.00 O ATOM 747 CB LEU A 48 -8.400 -4.849 -3.529 1.00 0.00 C ATOM 748 CG LEU A 48 -8.298 -3.509 -4.264 1.00 0.00 C ATOM 749 CD1 LEU A 48 -6.826 -3.126 -4.431 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.955 -3.632 -5.642 1.00 0.00 C ATOM 0 H LEU A 48 -8.927 -4.200 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.544 -4.651 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.633 -4.880 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.174 -5.650 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.808 -2.739 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.755 -2.172 -4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.360 -3.037 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.313 -3.895 -5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.883 -2.679 -6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.446 -4.403 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.004 -3.902 -5.522 1.00 0.00 H new ATOM 762 N GLY A 49 -9.162 -7.372 -2.119 1.00 0.00 N ATOM 763 CA GLY A 49 -9.299 -8.827 -2.018 1.00 0.00 C ATOM 764 C GLY A 49 -7.951 -9.501 -1.759 1.00 0.00 C ATOM 765 O GLY A 49 -7.551 -10.412 -2.488 1.00 0.00 O ATOM 0 H GLY A 49 -8.389 -6.980 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.991 -9.073 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.731 -9.218 -2.939 1.00 0.00 H new ATOM 769 N GLN A 50 -7.258 -9.047 -0.709 1.00 0.00 N ATOM 770 CA GLN A 50 -5.954 -9.615 -0.351 1.00 0.00 C ATOM 771 C GLN A 50 -5.653 -9.370 1.127 1.00 0.00 C ATOM 772 O GLN A 50 -6.095 -8.375 1.705 1.00 0.00 O ATOM 773 CB GLN A 50 -4.844 -8.997 -1.205 1.00 0.00 C ATOM 774 CG GLN A 50 -4.527 -9.932 -2.374 1.00 0.00 C ATOM 775 CD GLN A 50 -3.065 -9.774 -2.782 1.00 0.00 C ATOM 776 OE1 GLN A 50 -2.652 -8.703 -3.228 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.252 -10.786 -2.658 1.00 0.00 N ATOM 0 H GLN A 50 -7.575 -8.295 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.991 -10.688 -0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.157 -8.022 -1.578 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.951 -8.836 -0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.725 -10.965 -2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.176 -9.705 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.594 -11.673 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.274 -10.691 -2.930 1.00 0.00 H new ATOM 786 N ASN A 51 -4.899 -10.291 1.738 1.00 0.00 N ATOM 787 CA ASN A 51 -4.559 -10.159 3.158 1.00 0.00 C ATOM 788 C ASN A 51 -3.081 -10.487 3.414 1.00 0.00 C ATOM 789 O ASN A 51 -2.748 -11.572 3.900 1.00 0.00 O ATOM 790 CB ASN A 51 -5.441 -11.089 4.003 1.00 0.00 C ATOM 791 CG ASN A 51 -5.537 -10.555 5.433 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.518 -10.323 6.086 1.00 0.00 O ATOM 793 ND2 ASN A 51 -6.712 -10.345 5.963 1.00 0.00 N ATOM 0 H ASN A 51 -4.519 -11.120 1.282 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.737 -9.123 3.445 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.436 -11.159 3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.023 -12.096 4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.785 -9.989 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.556 -10.537 5.424 1.00 0.00 H new ATOM 800 N PRO A 52 -2.180 -9.541 3.107 1.00 0.00 N ATOM 801 CA PRO A 52 -0.733 -9.723 3.330 1.00 0.00 C ATOM 802 C PRO A 52 -0.316 -9.376 4.761 1.00 0.00 C ATOM 803 O PRO A 52 -1.158 -9.214 5.648 1.00 0.00 O ATOM 804 CB PRO A 52 -0.128 -8.727 2.345 1.00 0.00 C ATOM 805 CG PRO A 52 -1.187 -7.663 2.083 1.00 0.00 C ATOM 806 CD PRO A 52 -2.542 -8.237 2.519 1.00 0.00 C ATOM 0 HA PRO A 52 -0.412 -10.755 3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.776 -8.278 2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.156 -9.225 1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.960 -6.753 2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.207 -7.395 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.038 -7.592 3.244 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.222 -8.350 1.675 1.00 0.00 H new ATOM 814 N THR A 53 0.995 -9.253 4.966 1.00 0.00 N ATOM 815 CA THR A 53 1.535 -8.910 6.281 1.00 0.00 C ATOM 816 C THR A 53 2.221 -7.540 6.205 1.00 0.00 C ATOM 817 O THR A 53 2.377 -6.982 5.117 1.00 0.00 O ATOM 818 CB THR A 53 2.546 -9.979 6.746 1.00 0.00 C ATOM 819 OG1 THR A 53 3.846 -9.664 6.260 1.00 0.00 O ATOM 820 CG2 THR A 53 2.131 -11.354 6.218 1.00 0.00 C ATOM 0 H THR A 53 1.700 -9.385 4.241 1.00 0.00 H new ATOM 0 HA THR A 53 0.718 -8.872 7.002 1.00 0.00 H new ATOM 0 HB THR A 53 2.560 -9.996 7.836 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.482 -10.346 6.561 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.849 -12.103 6.550 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.141 -11.606 6.599 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.106 -11.333 5.128 1.00 0.00 H new ATOM 828 N PRO A 54 2.650 -6.987 7.346 1.00 0.00 N ATOM 829 CA PRO A 54 3.331 -5.676 7.367 1.00 0.00 C ATOM 830 C PRO A 54 4.760 -5.754 6.826 1.00 0.00 C ATOM 831 O PRO A 54 5.296 -4.771 6.315 1.00 0.00 O ATOM 832 CB PRO A 54 3.314 -5.317 8.846 1.00 0.00 C ATOM 833 CG PRO A 54 3.167 -6.622 9.616 1.00 0.00 C ATOM 834 CD PRO A 54 2.496 -7.624 8.673 1.00 0.00 C ATOM 0 HA PRO A 54 2.845 -4.936 6.731 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.232 -4.803 9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.488 -4.641 9.070 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.140 -6.990 9.941 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.566 -6.475 10.513 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.980 -8.600 8.711 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.447 -7.778 8.928 1.00 0.00 H new ATOM 842 N GLU A 55 5.359 -6.942 6.938 1.00 0.00 N ATOM 843 CA GLU A 55 6.721 -7.164 6.450 1.00 0.00 C ATOM 844 C GLU A 55 6.703 -7.455 4.948 1.00 0.00 C ATOM 845 O GLU A 55 7.581 -7.008 4.208 1.00 0.00 O ATOM 846 CB GLU A 55 7.377 -8.350 7.173 1.00 0.00 C ATOM 847 CG GLU A 55 7.092 -8.282 8.681 1.00 0.00 C ATOM 848 CD GLU A 55 7.630 -6.972 9.257 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.829 -6.887 9.466 1.00 0.00 O ATOM 850 OE2 GLU A 55 6.832 -6.076 9.483 1.00 0.00 O ATOM 0 H GLU A 55 4.924 -7.762 7.361 1.00 0.00 H new ATOM 0 HA GLU A 55 7.296 -6.259 6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.997 -9.287 6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.453 -8.340 6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.019 -8.354 8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.557 -9.129 9.186 1.00 0.00 H new ATOM 857 N GLU A 56 5.688 -8.211 4.507 1.00 0.00 N ATOM 858 CA GLU A 56 5.558 -8.560 3.089 1.00 0.00 C ATOM 859 C GLU A 56 5.162 -7.334 2.267 1.00 0.00 C ATOM 860 O GLU A 56 5.822 -7.004 1.280 1.00 0.00 O ATOM 861 CB GLU A 56 4.512 -9.663 2.894 1.00 0.00 C ATOM 862 CG GLU A 56 5.071 -10.995 3.411 1.00 0.00 C ATOM 863 CD GLU A 56 6.044 -11.579 2.389 1.00 0.00 C ATOM 864 OE1 GLU A 56 7.212 -11.223 2.438 1.00 0.00 O ATOM 865 OE2 GLU A 56 5.610 -12.377 1.575 1.00 0.00 O ATOM 0 H GLU A 56 4.953 -8.588 5.106 1.00 0.00 H new ATOM 0 HA GLU A 56 6.526 -8.924 2.746 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.596 -9.409 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.252 -9.750 1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.578 -10.842 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.256 -11.696 3.593 1.00 0.00 H new ATOM 872 N LEU A 57 4.084 -6.656 2.686 1.00 0.00 N ATOM 873 CA LEU A 57 3.622 -5.455 1.976 1.00 0.00 C ATOM 874 C LEU A 57 4.718 -4.377 1.953 1.00 0.00 C ATOM 875 O LEU A 57 4.787 -3.575 1.020 1.00 0.00 O ATOM 876 CB LEU A 57 2.344 -4.887 2.629 1.00 0.00 C ATOM 877 CG LEU A 57 2.409 -3.424 3.102 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.017 -2.796 3.022 1.00 0.00 C ATOM 879 CD2 LEU A 57 2.907 -3.373 4.552 1.00 0.00 C ATOM 0 H LEU A 57 3.524 -6.913 3.499 1.00 0.00 H new ATOM 0 HA LEU A 57 3.393 -5.745 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.526 -4.979 1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.091 -5.512 3.486 1.00 0.00 H new ATOM 0 HG LEU A 57 3.095 -2.870 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.065 -1.760 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.662 -2.828 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.330 -3.352 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.952 -2.336 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.222 -3.930 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.901 -3.817 4.611 1.00 0.00 H new ATOM 891 N GLN A 58 5.567 -4.367 2.993 1.00 0.00 N ATOM 892 CA GLN A 58 6.654 -3.385 3.093 1.00 0.00 C ATOM 893 C GLN A 58 7.496 -3.348 1.813 1.00 0.00 C ATOM 894 O GLN A 58 7.909 -2.276 1.366 1.00 0.00 O ATOM 895 CB GLN A 58 7.567 -3.711 4.282 1.00 0.00 C ATOM 896 CG GLN A 58 8.190 -2.421 4.830 1.00 0.00 C ATOM 897 CD GLN A 58 7.087 -1.434 5.211 1.00 0.00 C ATOM 898 OE1 GLN A 58 6.479 -1.553 6.276 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.785 -0.460 4.393 1.00 0.00 N ATOM 0 H GLN A 58 5.521 -5.025 3.771 1.00 0.00 H new ATOM 0 HA GLN A 58 6.193 -2.408 3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.996 -4.210 5.064 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.352 -4.401 3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.806 -2.645 5.701 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.846 -1.976 4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.288 -0.360 3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.047 0.200 4.637 1.00 0.00 H new ATOM 908 N GLU A 59 7.738 -4.524 1.227 1.00 0.00 N ATOM 909 CA GLU A 59 8.523 -4.610 -0.008 1.00 0.00 C ATOM 910 C GLU A 59 7.852 -3.810 -1.125 1.00 0.00 C ATOM 911 O GLU A 59 8.508 -3.045 -1.831 1.00 0.00 O ATOM 912 CB GLU A 59 8.667 -6.069 -0.454 1.00 0.00 C ATOM 913 CG GLU A 59 9.748 -6.759 0.383 1.00 0.00 C ATOM 914 CD GLU A 59 10.362 -7.902 -0.420 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.113 -7.620 -1.341 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.071 -9.045 -0.101 1.00 0.00 O ATOM 0 H GLU A 59 7.406 -5.420 1.583 1.00 0.00 H new ATOM 0 HA GLU A 59 9.511 -4.195 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.717 -6.590 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.929 -6.112 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.519 -6.042 0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.317 -7.141 1.309 1.00 0.00 H new ATOM 923 N MET A 60 6.533 -3.991 -1.266 1.00 0.00 N ATOM 924 CA MET A 60 5.768 -3.276 -2.294 1.00 0.00 C ATOM 925 C MET A 60 5.860 -1.763 -2.081 1.00 0.00 C ATOM 926 O MET A 60 6.024 -1.008 -3.036 1.00 0.00 O ATOM 927 CB MET A 60 4.294 -3.692 -2.262 1.00 0.00 C ATOM 928 CG MET A 60 4.148 -5.119 -2.797 1.00 0.00 C ATOM 929 SD MET A 60 2.423 -5.417 -3.262 1.00 0.00 S ATOM 930 CE MET A 60 1.732 -5.444 -1.589 1.00 0.00 C ATOM 0 H MET A 60 5.978 -4.621 -0.687 1.00 0.00 H new ATOM 0 HA MET A 60 6.196 -3.534 -3.262 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.912 -3.635 -1.243 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.699 -3.005 -2.864 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.798 -5.264 -3.660 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.460 -5.837 -2.039 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.863 -6.102 -1.565 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.484 -5.810 -0.890 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.431 -4.436 -1.303 1.00 0.00 H new ATOM 940 N ILE A 61 5.748 -1.336 -0.817 1.00 0.00 N ATOM 941 CA ILE A 61 5.817 0.085 -0.469 1.00 0.00 C ATOM 942 C ILE A 61 7.066 0.738 -1.069 1.00 0.00 C ATOM 943 O ILE A 61 6.968 1.551 -1.984 1.00 0.00 O ATOM 944 CB ILE A 61 5.831 0.246 1.062 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.471 -0.169 1.646 1.00 0.00 C ATOM 946 CG2 ILE A 61 6.131 1.699 1.436 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.332 0.393 0.790 1.00 0.00 C ATOM 0 H ILE A 61 5.609 -1.956 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 61 4.939 0.581 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 61 6.609 -0.396 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.402 -1.256 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.380 0.196 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.138 1.801 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.105 1.983 1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.363 2.349 1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.375 0.091 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.394 1.481 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.416 0.007 -0.226 1.00 0.00 H new ATOM 959 N ASP A 62 8.232 0.377 -0.534 1.00 0.00 N ATOM 960 CA ASP A 62 9.502 0.940 -1.015 1.00 0.00 C ATOM 961 C ASP A 62 9.699 0.697 -2.520 1.00 0.00 C ATOM 962 O ASP A 62 10.288 1.527 -3.215 1.00 0.00 O ATOM 963 CB ASP A 62 10.681 0.324 -0.250 1.00 0.00 C ATOM 964 CG ASP A 62 11.665 1.421 0.150 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.325 2.211 1.016 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.746 1.454 -0.415 1.00 0.00 O ATOM 0 H ASP A 62 8.328 -0.296 0.226 1.00 0.00 H new ATOM 0 HA ASP A 62 9.465 2.015 -0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.320 -0.195 0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.182 -0.418 -0.871 1.00 0.00 H new ATOM 971 N GLU A 63 9.211 -0.448 -3.013 1.00 0.00 N ATOM 972 CA GLU A 63 9.351 -0.791 -4.436 1.00 0.00 C ATOM 973 C GLU A 63 8.545 0.154 -5.338 1.00 0.00 C ATOM 974 O GLU A 63 9.014 0.550 -6.405 1.00 0.00 O ATOM 975 CB GLU A 63 8.877 -2.226 -4.693 1.00 0.00 C ATOM 976 CG GLU A 63 10.039 -3.201 -4.479 1.00 0.00 C ATOM 977 CD GLU A 63 9.584 -4.623 -4.803 1.00 0.00 C ATOM 978 OE1 GLU A 63 9.453 -4.932 -5.979 1.00 0.00 O ATOM 979 OE2 GLU A 63 9.375 -5.385 -3.873 1.00 0.00 O ATOM 0 H GLU A 63 8.720 -1.147 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 63 10.409 -0.692 -4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.054 -2.473 -4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.497 -2.317 -5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.880 -2.924 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.387 -3.146 -3.448 1.00 0.00 H new ATOM 986 N VAL A 64 7.320 0.489 -4.913 1.00 0.00 N ATOM 987 CA VAL A 64 6.452 1.365 -5.717 1.00 0.00 C ATOM 988 C VAL A 64 6.645 2.847 -5.379 1.00 0.00 C ATOM 989 O VAL A 64 6.261 3.714 -6.169 1.00 0.00 O ATOM 990 CB VAL A 64 4.971 1.009 -5.518 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.759 -0.494 -5.731 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.523 1.401 -4.103 1.00 0.00 C ATOM 0 H VAL A 64 6.911 0.174 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 64 6.740 1.202 -6.756 1.00 0.00 H new ATOM 0 HB VAL A 64 4.376 1.559 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.706 -0.737 -5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.059 -0.764 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.361 -1.052 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.472 1.145 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.123 0.863 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.656 2.474 -3.963 1.00 0.00 H new ATOM 1002 N ASP A 65 7.221 3.140 -4.207 1.00 0.00 N ATOM 1003 CA ASP A 65 7.429 4.530 -3.803 1.00 0.00 C ATOM 1004 C ASP A 65 8.549 5.158 -4.636 1.00 0.00 C ATOM 1005 O ASP A 65 9.716 5.178 -4.234 1.00 0.00 O ATOM 1006 CB ASP A 65 7.771 4.622 -2.310 1.00 0.00 C ATOM 1007 CG ASP A 65 7.040 5.812 -1.686 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.221 6.920 -2.166 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.304 5.597 -0.738 1.00 0.00 O ATOM 0 H ASP A 65 7.545 2.445 -3.534 1.00 0.00 H new ATOM 0 HA ASP A 65 6.503 5.078 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.484 3.700 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.847 4.735 -2.180 1.00 0.00 H new ATOM 1014 N GLU A 66 8.170 5.661 -5.812 1.00 0.00 N ATOM 1015 CA GLU A 66 9.126 6.285 -6.730 1.00 0.00 C ATOM 1016 C GLU A 66 9.610 7.637 -6.196 1.00 0.00 C ATOM 1017 O GLU A 66 10.752 8.035 -6.434 1.00 0.00 O ATOM 1018 CB GLU A 66 8.476 6.502 -8.101 1.00 0.00 C ATOM 1019 CG GLU A 66 8.138 5.148 -8.736 1.00 0.00 C ATOM 1020 CD GLU A 66 6.778 5.234 -9.434 1.00 0.00 C ATOM 1021 OE1 GLU A 66 6.727 5.774 -10.529 1.00 0.00 O ATOM 1022 OE2 GLU A 66 5.809 4.758 -8.865 1.00 0.00 O ATOM 0 H GLU A 66 7.208 5.649 -6.152 1.00 0.00 H new ATOM 0 HA GLU A 66 9.980 5.614 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.571 7.100 -7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.151 7.060 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.909 4.869 -9.454 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.117 4.371 -7.972 1.00 0.00 H new ATOM 1029 N ASP A 67 8.728 8.340 -5.479 1.00 0.00 N ATOM 1030 CA ASP A 67 9.074 9.652 -4.923 1.00 0.00 C ATOM 1031 C ASP A 67 9.862 9.502 -3.621 1.00 0.00 C ATOM 1032 O ASP A 67 10.837 10.219 -3.389 1.00 0.00 O ATOM 1033 CB ASP A 67 7.808 10.475 -4.636 1.00 0.00 C ATOM 1034 CG ASP A 67 6.844 10.390 -5.820 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.138 10.983 -6.844 1.00 0.00 O ATOM 1036 OD2 ASP A 67 5.825 9.733 -5.683 1.00 0.00 O ATOM 0 H ASP A 67 7.780 8.027 -5.271 1.00 0.00 H new ATOM 0 HA ASP A 67 9.686 10.166 -5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.321 10.105 -3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.076 11.515 -4.450 1.00 0.00 H new ATOM 1041 N GLY A 68 9.419 8.574 -2.769 1.00 0.00 N ATOM 1042 CA GLY A 68 10.075 8.345 -1.482 1.00 0.00 C ATOM 1043 C GLY A 68 9.681 9.435 -0.486 1.00 0.00 C ATOM 1044 O GLY A 68 10.500 9.883 0.319 1.00 0.00 O ATOM 0 H GLY A 68 8.614 7.973 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.794 7.367 -1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.157 8.337 -1.614 1.00 0.00 H new ATOM 1048 N SER A 69 8.415 9.863 -0.561 1.00 0.00 N ATOM 1049 CA SER A 69 7.910 10.914 0.321 1.00 0.00 C ATOM 1050 C SER A 69 7.244 10.320 1.566 1.00 0.00 C ATOM 1051 O SER A 69 7.531 10.736 2.690 1.00 0.00 O ATOM 1052 CB SER A 69 6.895 11.788 -0.422 1.00 0.00 C ATOM 1053 OG SER A 69 5.880 10.966 -0.991 1.00 0.00 O ATOM 0 H SER A 69 7.728 9.498 -1.220 1.00 0.00 H new ATOM 0 HA SER A 69 8.761 11.520 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.451 12.509 0.264 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.396 12.359 -1.204 1.00 0.00 H new ATOM 0 HG SER A 69 5.231 11.528 -1.464 1.00 0.00 H new ATOM 1059 N GLY A 70 6.347 9.354 1.351 1.00 0.00 N ATOM 1060 CA GLY A 70 5.635 8.717 2.462 1.00 0.00 C ATOM 1061 C GLY A 70 4.212 8.327 2.057 1.00 0.00 C ATOM 1062 O GLY A 70 3.642 7.378 2.599 1.00 0.00 O ATOM 0 H GLY A 70 6.098 8.999 0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.180 7.830 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.600 9.398 3.313 1.00 0.00 H new ATOM 1066 N THR A 71 3.645 9.068 1.097 1.00 0.00 N ATOM 1067 CA THR A 71 2.288 8.789 0.622 1.00 0.00 C ATOM 1068 C THR A 71 2.339 8.023 -0.698 1.00 0.00 C ATOM 1069 O THR A 71 3.279 8.172 -1.484 1.00 0.00 O ATOM 1070 CB THR A 71 1.495 10.088 0.409 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.066 10.832 -0.667 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.523 10.929 1.687 1.00 0.00 C ATOM 0 H THR A 71 4.101 9.857 0.639 1.00 0.00 H new ATOM 0 HA THR A 71 1.790 8.189 1.384 1.00 0.00 H new ATOM 0 HB THR A 71 0.462 9.839 0.166 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.362 11.337 -1.125 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.959 11.849 1.530 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.075 10.364 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.555 11.175 1.938 1.00 0.00 H new ATOM 1080 N VAL A 72 1.312 7.206 -0.931 1.00 0.00 N ATOM 1081 CA VAL A 72 1.234 6.420 -2.157 1.00 0.00 C ATOM 1082 C VAL A 72 0.241 7.053 -3.127 1.00 0.00 C ATOM 1083 O VAL A 72 -0.963 7.102 -2.863 1.00 0.00 O ATOM 1084 CB VAL A 72 0.788 4.985 -1.860 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.825 4.160 -3.150 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.726 4.360 -0.825 1.00 0.00 C ATOM 0 H VAL A 72 0.529 7.073 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 72 2.228 6.401 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.228 4.996 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.508 3.139 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.153 4.604 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.840 4.149 -3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.407 3.339 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.744 4.349 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.696 4.946 0.094 1.00 0.00 H new ATOM 1096 N ASP A 73 0.759 7.520 -4.259 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.084 8.134 -5.282 1.00 0.00 C ATOM 1098 C ASP A 73 -0.649 7.046 -6.192 1.00 0.00 C ATOM 1099 O ASP A 73 -0.343 5.865 -6.023 1.00 0.00 O ATOM 1100 CB ASP A 73 0.726 9.128 -6.121 1.00 0.00 C ATOM 1101 CG ASP A 73 1.226 10.264 -5.232 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.498 11.232 -5.076 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.327 10.150 -4.719 1.00 0.00 O ATOM 0 H ASP A 73 1.752 7.486 -4.491 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.897 8.669 -4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.570 8.621 -6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.109 9.528 -6.925 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.475 7.447 -7.158 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.066 6.478 -8.084 1.00 0.00 C ATOM 1110 C PHE A 74 -0.988 5.845 -8.968 1.00 0.00 C ATOM 1111 O PHE A 74 -1.078 4.667 -9.316 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.122 7.139 -8.973 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.075 6.085 -9.484 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.685 5.196 -8.588 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.347 5.995 -10.851 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.567 4.220 -9.062 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.230 5.018 -11.326 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.840 4.131 -10.431 1.00 0.00 C ATOM 0 H PHE A 74 -1.747 8.417 -7.320 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.542 5.703 -7.484 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.667 7.896 -8.409 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.643 7.649 -9.809 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.474 5.265 -7.531 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.876 6.679 -11.542 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.037 3.535 -8.372 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.441 4.949 -12.383 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.522 3.378 -10.798 1.00 0.00 H new ATOM 1128 N ASP A 75 0.041 6.631 -9.307 1.00 0.00 N ATOM 1129 CA ASP A 75 1.144 6.124 -10.130 1.00 0.00 C ATOM 1130 C ASP A 75 1.894 5.026 -9.373 1.00 0.00 C ATOM 1131 O ASP A 75 2.353 4.049 -9.965 1.00 0.00 O ATOM 1132 CB ASP A 75 2.128 7.249 -10.478 1.00 0.00 C ATOM 1133 CG ASP A 75 1.812 7.801 -11.866 1.00 0.00 C ATOM 1134 OD1 ASP A 75 2.179 7.157 -12.835 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.212 8.861 -11.937 1.00 0.00 O ATOM 0 H ASP A 75 0.132 7.608 -9.028 1.00 0.00 H new ATOM 0 HA ASP A 75 0.722 5.723 -11.052 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.062 8.045 -9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.150 6.872 -10.451 1.00 0.00 H new ATOM 1140 N GLU A 76 1.990 5.199 -8.050 1.00 0.00 N ATOM 1141 CA GLU A 76 2.663 4.222 -7.189 1.00 0.00 C ATOM 1142 C GLU A 76 1.694 3.093 -6.813 1.00 0.00 C ATOM 1143 O GLU A 76 2.111 1.986 -6.465 1.00 0.00 O ATOM 1144 CB GLU A 76 3.178 4.899 -5.912 1.00 0.00 C ATOM 1145 CG GLU A 76 3.788 6.259 -6.273 1.00 0.00 C ATOM 1146 CD GLU A 76 4.371 6.920 -5.028 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.602 7.431 -4.236 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.581 6.915 -4.891 1.00 0.00 O ATOM 0 H GLU A 76 1.611 6.005 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 76 3.508 3.806 -7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.362 5.030 -5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.924 4.269 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.567 6.129 -7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.026 6.903 -6.713 1.00 0.00 H new ATOM 1155 N PHE A 77 0.393 3.391 -6.897 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.647 2.412 -6.582 1.00 0.00 C ATOM 1157 C PHE A 77 -0.822 1.415 -7.739 1.00 0.00 C ATOM 1158 O PHE A 77 -1.099 0.234 -7.517 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.976 3.137 -6.325 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.006 2.170 -5.790 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.883 1.656 -4.493 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -4.086 1.791 -6.593 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.842 0.763 -4.001 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -5.046 0.898 -6.101 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.922 0.383 -4.805 1.00 0.00 C ATOM 0 H PHE A 77 0.037 4.304 -7.181 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.348 1.862 -5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.824 3.948 -5.613 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.337 3.588 -7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.049 1.949 -3.873 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.180 2.187 -7.593 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.748 0.367 -3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.881 0.607 -6.721 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.660 -0.308 -4.426 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.666 1.909 -8.974 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.815 1.063 -10.165 1.00 0.00 C ATOM 1177 C LEU A 78 0.431 0.208 -10.414 1.00 0.00 C ATOM 1178 O LEU A 78 0.324 -0.937 -10.860 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.073 1.928 -11.406 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.472 2.560 -11.504 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.869 2.682 -12.975 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.494 1.683 -10.773 1.00 0.00 C ATOM 0 H LEU A 78 -0.438 2.883 -9.174 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.663 0.403 -9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.332 2.727 -11.429 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.909 1.316 -12.293 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.453 3.548 -11.043 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.860 3.130 -13.048 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.147 3.311 -13.496 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.883 1.692 -13.431 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.482 2.137 -10.847 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.515 0.693 -11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.213 1.594 -9.724 1.00 0.00 H new ATOM 1194 N VAL A 79 1.614 0.769 -10.128 1.00 0.00 N ATOM 1195 CA VAL A 79 2.871 0.032 -10.334 1.00 0.00 C ATOM 1196 C VAL A 79 2.928 -1.220 -9.458 1.00 0.00 C ATOM 1197 O VAL A 79 3.615 -2.179 -9.789 1.00 0.00 O ATOM 1198 CB VAL A 79 4.104 0.894 -10.028 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.310 1.915 -11.146 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.929 1.623 -8.693 1.00 0.00 C ATOM 0 H VAL A 79 1.728 1.713 -9.760 1.00 0.00 H new ATOM 0 HA VAL A 79 2.887 -0.249 -11.387 1.00 0.00 H new ATOM 0 HB VAL A 79 4.977 0.244 -9.962 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.186 2.525 -10.925 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.460 1.394 -12.092 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.431 2.556 -11.220 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.812 2.230 -8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.050 2.266 -8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.800 0.893 -7.894 1.00 0.00 H new ATOM 1210 N MET A 80 2.202 -1.192 -8.340 1.00 0.00 N ATOM 1211 CA MET A 80 2.167 -2.325 -7.408 1.00 0.00 C ATOM 1212 C MET A 80 1.939 -3.659 -8.133 1.00 0.00 C ATOM 1213 O MET A 80 2.472 -4.692 -7.723 1.00 0.00 O ATOM 1214 CB MET A 80 1.047 -2.118 -6.387 1.00 0.00 C ATOM 1215 CG MET A 80 1.550 -1.241 -5.238 1.00 0.00 C ATOM 1216 SD MET A 80 0.136 -0.509 -4.376 1.00 0.00 S ATOM 1217 CE MET A 80 1.051 0.766 -3.474 1.00 0.00 C ATOM 0 H MET A 80 1.629 -0.398 -8.056 1.00 0.00 H new ATOM 0 HA MET A 80 3.136 -2.369 -6.911 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.188 -1.649 -6.866 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.711 -3.081 -6.002 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.144 -1.836 -4.545 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.201 -0.456 -5.623 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.425 1.168 -2.677 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.952 0.330 -3.042 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.327 1.568 -4.158 1.00 0.00 H new ATOM 1227 N MET A 81 1.143 -3.632 -9.206 1.00 0.00 N ATOM 1228 CA MET A 81 0.856 -4.854 -9.966 1.00 0.00 C ATOM 1229 C MET A 81 1.997 -5.191 -10.933 1.00 0.00 C ATOM 1230 O MET A 81 2.461 -6.332 -10.985 1.00 0.00 O ATOM 1231 CB MET A 81 -0.443 -4.695 -10.765 1.00 0.00 C ATOM 1232 CG MET A 81 -1.642 -4.931 -9.844 1.00 0.00 C ATOM 1233 SD MET A 81 -2.084 -6.686 -9.862 1.00 0.00 S ATOM 1234 CE MET A 81 -3.879 -6.474 -9.766 1.00 0.00 C ATOM 0 H MET A 81 0.691 -2.791 -9.565 1.00 0.00 H new ATOM 0 HA MET A 81 0.751 -5.667 -9.247 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.495 -3.696 -11.199 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.462 -5.404 -11.593 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.401 -4.617 -8.829 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.489 -4.329 -10.172 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.367 -7.438 -9.907 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.146 -6.071 -8.789 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.206 -5.785 -10.544 1.00 0.00 H new ATOM 1244 N VAL A 82 2.427 -4.192 -11.710 1.00 0.00 N ATOM 1245 CA VAL A 82 3.502 -4.390 -12.698 1.00 0.00 C ATOM 1246 C VAL A 82 4.875 -4.588 -12.037 1.00 0.00 C ATOM 1247 O VAL A 82 5.735 -5.274 -12.591 1.00 0.00 O ATOM 1248 CB VAL A 82 3.579 -3.200 -13.668 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.326 -3.170 -14.549 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.670 -1.889 -12.882 1.00 0.00 C ATOM 0 H VAL A 82 2.053 -3.244 -11.678 1.00 0.00 H new ATOM 0 HA VAL A 82 3.253 -5.299 -13.246 1.00 0.00 H new ATOM 0 HB VAL A 82 4.466 -3.311 -14.292 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.384 -2.325 -15.235 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.260 -4.097 -15.119 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.442 -3.067 -13.920 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.724 -1.051 -13.577 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.788 -1.781 -12.251 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.563 -1.901 -12.257 1.00 0.00 H new ATOM 1260 N ARG A 83 5.075 -3.993 -10.854 1.00 0.00 N ATOM 1261 CA ARG A 83 6.354 -4.125 -10.139 1.00 0.00 C ATOM 1262 C ARG A 83 6.643 -5.590 -9.787 1.00 0.00 C ATOM 1263 O ARG A 83 7.796 -5.966 -9.565 1.00 0.00 O ATOM 1264 CB ARG A 83 6.354 -3.280 -8.855 1.00 0.00 C ATOM 1265 CG ARG A 83 5.370 -3.866 -7.833 1.00 0.00 C ATOM 1266 CD ARG A 83 6.145 -4.598 -6.734 1.00 0.00 C ATOM 1267 NE ARG A 83 5.323 -5.655 -6.136 1.00 0.00 N ATOM 1268 CZ ARG A 83 5.869 -6.721 -5.532 1.00 0.00 C ATOM 1269 NH1 ARG A 83 7.172 -6.863 -5.463 1.00 0.00 N ATOM 1270 NH2 ARG A 83 5.092 -7.634 -5.007 1.00 0.00 N ATOM 0 H ARG A 83 4.378 -3.422 -10.375 1.00 0.00 H new ATOM 0 HA ARG A 83 7.137 -3.762 -10.805 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.357 -3.252 -8.430 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.078 -2.252 -9.088 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.766 -3.070 -7.397 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.683 -4.553 -8.327 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.055 -5.030 -7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.451 -3.889 -5.964 1.00 0.00 H new ATOM 0 HE ARG A 83 4.307 -5.577 -6.181 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.784 -6.157 -5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.572 -7.679 -5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.078 -7.532 -5.059 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.500 -8.447 -4.546 1.00 0.00 H new ATOM 1284 N CYS A 84 5.584 -6.414 -9.749 1.00 0.00 N ATOM 1285 CA CYS A 84 5.735 -7.839 -9.436 1.00 0.00 C ATOM 1286 C CYS A 84 6.654 -8.528 -10.451 1.00 0.00 C ATOM 1287 O CYS A 84 7.341 -9.495 -10.119 1.00 0.00 O ATOM 1288 CB CYS A 84 4.373 -8.542 -9.445 1.00 0.00 C ATOM 1289 SG CYS A 84 3.390 -7.974 -8.035 1.00 0.00 S ATOM 0 H CYS A 84 4.624 -6.120 -9.929 1.00 0.00 H new ATOM 0 HA CYS A 84 6.177 -7.910 -8.442 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.848 -8.330 -10.377 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.509 -9.622 -9.395 1.00 0.00 H new ATOM 0 HG CYS A 84 3.175 -6.696 -8.143 1.00 0.00 H new