USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 724 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 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0819 K(o=-0.082,f=-0.89) USER MOD Single : A 10 THR OG1 : rot -59:sc= 0.636 USER MOD Single : A 12 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.7!) USER MOD Single : A 16 THR OG1 : rot -153:sc= -2.09! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.38) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.68) USER MOD Single : A 34 HIS : no HD1:sc= -0.118 K(o=-0.12,f=-0.89) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.616 K(o=-0.62,f=-3.7!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 69:sc= 0.45 USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0135 (180deg=-0.465) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -5.2! C(o=-5.2!,f=-5.4!) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0188) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.002 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -63:sc= 1.18 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 164:sc= -0.0674 (180deg=-0.546) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.401 -6.469 -6.329 1.00 30.64 N ATOM 2 CA MET A 1 20.482 -7.467 -5.225 1.00 30.13 C ATOM 3 C MET A 1 21.740 -7.208 -4.394 1.00 29.25 C ATOM 4 O MET A 1 22.838 -7.158 -4.915 1.00 29.74 O ATOM 5 CB MET A 1 20.541 -8.878 -5.814 1.00 31.14 C ATOM 6 CG MET A 1 19.885 -9.864 -4.847 1.00 31.08 C ATOM 7 SD MET A 1 21.045 -10.270 -3.519 1.00 30.68 S ATOM 8 CE MET A 1 19.834 -10.354 -2.178 1.00 30.14 C ATOM 0 H1 MET A 1 19.546 -6.645 -6.894 1.00 30.64 H new ATOM 0 H2 MET A 1 20.360 -5.510 -5.928 1.00 30.64 H new ATOM 0 H3 MET A 1 21.241 -6.554 -6.936 1.00 30.64 H new ATOM 0 HA MET A 1 19.601 -7.376 -4.589 1.00 30.13 H new ATOM 0 HB2 MET A 1 20.031 -8.903 -6.777 1.00 31.14 H new ATOM 0 HB3 MET A 1 21.577 -9.165 -5.995 1.00 31.14 H new ATOM 0 HG2 MET A 1 18.976 -9.431 -4.430 1.00 31.08 H new ATOM 0 HG3 MET A 1 19.592 -10.770 -5.378 1.00 31.08 H new ATOM 0 HE1 MET A 1 20.341 -10.597 -1.244 1.00 30.14 H new ATOM 0 HE2 MET A 1 19.334 -9.391 -2.079 1.00 30.14 H new ATOM 0 HE3 MET A 1 19.096 -11.125 -2.402 1.00 30.14 H new ATOM 20 N SER A 2 21.586 -7.044 -3.103 1.00 28.10 N ATOM 21 CA SER A 2 22.767 -6.787 -2.221 1.00 27.36 C ATOM 22 C SER A 2 23.471 -5.500 -2.663 1.00 27.15 C ATOM 23 O SER A 2 24.399 -5.530 -3.449 1.00 27.76 O ATOM 24 CB SER A 2 23.745 -7.960 -2.315 1.00 27.99 C ATOM 25 OG SER A 2 24.699 -7.862 -1.265 1.00 27.72 O ATOM 0 H SER A 2 20.688 -7.077 -2.620 1.00 28.10 H new ATOM 0 HA SER A 2 22.428 -6.679 -1.191 1.00 27.36 H new ATOM 0 HB2 SER A 2 23.206 -8.905 -2.245 1.00 27.99 H new ATOM 0 HB3 SER A 2 24.249 -7.952 -3.282 1.00 27.99 H new ATOM 0 HG SER A 2 25.326 -8.613 -1.322 1.00 27.72 H new ATOM 31 N LYS A 3 23.034 -4.373 -2.160 1.00 26.47 N ATOM 32 CA LYS A 3 23.672 -3.080 -2.544 1.00 26.48 C ATOM 33 C LYS A 3 24.840 -2.787 -1.601 1.00 25.57 C ATOM 34 O LYS A 3 25.979 -2.703 -2.020 1.00 26.19 O ATOM 35 CB LYS A 3 22.641 -1.953 -2.444 1.00 26.38 C ATOM 36 CG LYS A 3 21.506 -2.207 -3.439 1.00 27.36 C ATOM 37 CD LYS A 3 22.011 -1.968 -4.864 1.00 28.82 C ATOM 38 CE LYS A 3 20.891 -2.275 -5.860 1.00 29.95 C ATOM 39 NZ LYS A 3 20.074 -1.049 -6.083 1.00 30.27 N ATOM 0 H LYS A 3 22.261 -4.294 -1.499 1.00 26.47 H new ATOM 0 HA LYS A 3 24.040 -3.147 -3.568 1.00 26.48 H new ATOM 0 HB2 LYS A 3 22.244 -1.898 -1.430 1.00 26.38 H new ATOM 0 HB3 LYS A 3 23.114 -0.994 -2.653 1.00 26.38 H new ATOM 0 HG2 LYS A 3 21.142 -3.229 -3.338 1.00 27.36 H new ATOM 0 HG3 LYS A 3 20.666 -1.547 -3.224 1.00 27.36 H new ATOM 0 HD2 LYS A 3 22.339 -0.935 -4.976 1.00 28.82 H new ATOM 0 HD3 LYS A 3 22.875 -2.601 -5.066 1.00 28.82 H new ATOM 0 HE2 LYS A 3 21.314 -2.620 -6.804 1.00 29.95 H new ATOM 0 HE3 LYS A 3 20.262 -3.080 -5.479 1.00 29.95 H new ATOM 0 HZ1 LYS A 3 19.313 -1.258 -6.760 1.00 30.27 H new ATOM 0 HZ2 LYS A 3 19.660 -0.739 -5.181 1.00 30.27 H new ATOM 0 HZ3 LYS A 3 20.679 -0.293 -6.464 1.00 30.27 H new ATOM 53 N ARG A 4 24.564 -2.633 -0.331 1.00 24.28 N ATOM 54 CA ARG A 4 25.653 -2.345 0.647 1.00 23.52 C ATOM 55 C ARG A 4 25.427 -3.168 1.917 1.00 22.29 C ATOM 56 O ARG A 4 26.239 -3.997 2.282 1.00 22.53 O ATOM 57 CB ARG A 4 25.647 -0.854 0.994 1.00 23.18 C ATOM 58 CG ARG A 4 27.086 -0.364 1.187 1.00 23.94 C ATOM 59 CD ARG A 4 27.595 0.279 -0.108 1.00 25.11 C ATOM 60 NE ARG A 4 28.949 -0.276 -0.456 1.00 26.03 N ATOM 61 CZ ARG A 4 29.951 -0.278 0.399 1.00 26.23 C ATOM 62 NH1 ARG A 4 29.888 0.382 1.531 1.00 25.71 N ATOM 63 NH2 ARG A 4 31.054 -0.901 0.086 1.00 27.14 N ATOM 0 H ARG A 4 23.628 -2.695 0.070 1.00 24.28 H new ATOM 0 HA ARG A 4 26.615 -2.610 0.209 1.00 23.52 H new ATOM 0 HB2 ARG A 4 25.163 -0.287 0.198 1.00 23.18 H new ATOM 0 HB3 ARG A 4 25.070 -0.684 1.903 1.00 23.18 H new ATOM 0 HG2 ARG A 4 27.128 0.358 2.003 1.00 23.94 H new ATOM 0 HG3 ARG A 4 27.729 -1.198 1.467 1.00 23.94 H new ATOM 0 HD2 ARG A 4 26.894 0.087 -0.920 1.00 25.11 H new ATOM 0 HD3 ARG A 4 27.655 1.361 0.012 1.00 25.11 H new ATOM 0 HE ARG A 4 29.097 -0.665 -1.387 1.00 26.03 H new ATOM 0 HH11 ARG A 4 29.049 0.913 1.766 1.00 25.71 H new ATOM 0 HH12 ARG A 4 30.678 0.364 2.176 1.00 25.71 H new ATOM 0 HH21 ARG A 4 31.133 -1.379 -0.812 1.00 27.14 H new ATOM 0 HH22 ARG A 4 31.837 -0.910 0.739 1.00 27.14 H new ATOM 77 N LYS A 5 24.327 -2.943 2.591 1.00 21.14 N ATOM 78 CA LYS A 5 24.038 -3.708 3.840 1.00 20.06 C ATOM 79 C LYS A 5 22.617 -3.396 4.312 1.00 18.69 C ATOM 80 O LYS A 5 22.384 -2.422 5.003 1.00 18.12 O ATOM 81 CB LYS A 5 25.037 -3.304 4.927 1.00 19.84 C ATOM 82 CG LYS A 5 25.247 -4.476 5.888 1.00 19.97 C ATOM 83 CD LYS A 5 24.264 -4.362 7.055 1.00 19.49 C ATOM 84 CE LYS A 5 24.914 -4.910 8.327 1.00 19.65 C ATOM 85 NZ LYS A 5 24.045 -4.607 9.499 1.00 19.22 N ATOM 0 H LYS A 5 23.616 -2.261 2.328 1.00 21.14 H new ATOM 0 HA LYS A 5 24.128 -4.776 3.642 1.00 20.06 H new ATOM 0 HB2 LYS A 5 25.986 -3.016 4.475 1.00 19.84 H new ATOM 0 HB3 LYS A 5 24.667 -2.435 5.471 1.00 19.84 H new ATOM 0 HG2 LYS A 5 25.098 -5.420 5.364 1.00 19.97 H new ATOM 0 HG3 LYS A 5 26.271 -4.476 6.260 1.00 19.97 H new ATOM 0 HD2 LYS A 5 23.976 -3.321 7.201 1.00 19.49 H new ATOM 0 HD3 LYS A 5 23.353 -4.917 6.832 1.00 19.49 H new ATOM 0 HE2 LYS A 5 25.061 -5.986 8.238 1.00 19.65 H new ATOM 0 HE3 LYS A 5 25.899 -4.464 8.466 1.00 19.65 H new ATOM 0 HZ1 LYS A 5 24.486 -4.979 10.364 1.00 19.22 H new ATOM 0 HZ2 LYS A 5 23.926 -3.577 9.586 1.00 19.22 H new ATOM 0 HZ3 LYS A 5 23.115 -5.052 9.366 1.00 19.22 H new ATOM 99 N ALA A 6 21.667 -4.217 3.942 1.00 18.36 N ATOM 100 CA ALA A 6 20.256 -3.977 4.364 1.00 17.21 C ATOM 101 C ALA A 6 20.019 -4.612 5.746 1.00 15.90 C ATOM 102 O ALA A 6 20.696 -5.557 6.100 1.00 16.07 O ATOM 103 CB ALA A 6 19.305 -4.607 3.344 1.00 17.68 C ATOM 0 H ALA A 6 21.810 -5.045 3.364 1.00 18.36 H new ATOM 0 HA ALA A 6 20.071 -2.904 4.420 1.00 17.21 H new ATOM 0 HB1 ALA A 6 18.274 -4.432 3.651 1.00 17.68 H new ATOM 0 HB2 ALA A 6 19.473 -4.158 2.365 1.00 17.68 H new ATOM 0 HB3 ALA A 6 19.490 -5.680 3.288 1.00 17.68 H new ATOM 109 N PRO A 7 19.066 -4.084 6.499 1.00 14.89 N ATOM 110 CA PRO A 7 18.761 -4.620 7.839 1.00 13.86 C ATOM 111 C PRO A 7 18.307 -6.079 7.733 1.00 13.81 C ATOM 112 O PRO A 7 17.977 -6.558 6.664 1.00 14.42 O ATOM 113 CB PRO A 7 17.625 -3.734 8.375 1.00 13.18 C ATOM 114 CG PRO A 7 17.290 -2.685 7.284 1.00 13.99 C ATOM 115 CD PRO A 7 18.227 -2.932 6.093 1.00 15.07 C ATOM 0 HA PRO A 7 19.629 -4.607 8.498 1.00 13.86 H new ATOM 0 HB2 PRO A 7 16.747 -4.337 8.608 1.00 13.18 H new ATOM 0 HB3 PRO A 7 17.928 -3.241 9.299 1.00 13.18 H new ATOM 0 HG2 PRO A 7 16.248 -2.774 6.976 1.00 13.99 H new ATOM 0 HG3 PRO A 7 17.423 -1.675 7.672 1.00 13.99 H new ATOM 0 HD2 PRO A 7 17.664 -3.154 5.187 1.00 15.07 H new ATOM 0 HD3 PRO A 7 18.837 -2.054 5.882 1.00 15.07 H new ATOM 123 N GLN A 8 18.288 -6.785 8.835 1.00 13.46 N ATOM 124 CA GLN A 8 17.855 -8.213 8.809 1.00 13.84 C ATOM 125 C GLN A 8 16.342 -8.290 9.019 1.00 13.04 C ATOM 126 O GLN A 8 15.658 -9.073 8.386 1.00 13.75 O ATOM 127 CB GLN A 8 18.565 -8.981 9.927 1.00 14.28 C ATOM 128 CG GLN A 8 19.846 -9.613 9.378 1.00 15.18 C ATOM 129 CD GLN A 8 20.935 -8.544 9.263 1.00 15.22 C ATOM 130 OE1 GLN A 8 21.102 -7.733 10.152 1.00 14.77 O ATOM 131 NE2 GLN A 8 21.688 -8.510 8.198 1.00 16.03 N ATOM 0 H GLN A 8 18.555 -6.432 9.754 1.00 13.46 H new ATOM 0 HA GLN A 8 18.111 -8.654 7.846 1.00 13.84 H new ATOM 0 HB2 GLN A 8 18.803 -8.308 10.751 1.00 14.28 H new ATOM 0 HB3 GLN A 8 17.908 -9.754 10.326 1.00 14.28 H new ATOM 0 HG2 GLN A 8 20.178 -10.416 10.036 1.00 15.18 H new ATOM 0 HG3 GLN A 8 19.655 -10.059 8.402 1.00 15.18 H new ATOM 0 HE21 GLN A 8 21.547 -9.191 7.452 1.00 16.03 H new ATOM 0 HE22 GLN A 8 22.417 -7.802 8.111 1.00 16.03 H new ATOM 140 N GLU A 9 15.816 -7.481 9.905 1.00 11.82 N ATOM 141 CA GLU A 9 14.347 -7.498 10.164 1.00 11.22 C ATOM 142 C GLU A 9 13.735 -6.172 9.707 1.00 9.83 C ATOM 143 O GLU A 9 12.838 -5.646 10.336 1.00 9.34 O ATOM 144 CB GLU A 9 14.097 -7.687 11.662 1.00 11.42 C ATOM 145 CG GLU A 9 14.769 -8.978 12.134 1.00 12.65 C ATOM 146 CD GLU A 9 13.792 -10.146 11.986 1.00 13.97 C ATOM 147 OE1 GLU A 9 12.998 -10.347 12.891 1.00 14.20 O ATOM 148 OE2 GLU A 9 13.853 -10.820 10.971 1.00 15.01 O ATOM 0 H GLU A 9 16.344 -6.808 10.461 1.00 11.82 H new ATOM 0 HA GLU A 9 13.888 -8.319 9.613 1.00 11.22 H new ATOM 0 HB2 GLU A 9 14.491 -6.836 12.217 1.00 11.42 H new ATOM 0 HB3 GLU A 9 13.026 -7.729 11.860 1.00 11.42 H new ATOM 0 HG2 GLU A 9 15.669 -9.167 11.549 1.00 12.65 H new ATOM 0 HG3 GLU A 9 15.080 -8.879 13.174 1.00 12.65 H new ATOM 155 N THR A 10 14.221 -5.629 8.616 1.00 9.61 N ATOM 156 CA THR A 10 13.686 -4.328 8.091 1.00 8.64 C ATOM 157 C THR A 10 13.705 -3.263 9.194 1.00 6.70 C ATOM 158 O THR A 10 14.120 -3.521 10.309 1.00 6.51 O ATOM 159 CB THR A 10 12.247 -4.508 7.577 1.00 9.41 C ATOM 160 OG1 THR A 10 11.355 -4.610 8.677 1.00 8.93 O ATOM 161 CG2 THR A 10 12.149 -5.772 6.718 1.00 11.18 C ATOM 0 H THR A 10 14.974 -6.035 8.060 1.00 9.61 H new ATOM 0 HA THR A 10 14.321 -4.004 7.267 1.00 8.64 H new ATOM 0 HB THR A 10 11.978 -3.644 6.970 1.00 9.41 H new ATOM 0 HG1 THR A 10 11.608 -5.376 9.233 1.00 8.93 H new ATOM 0 HG21 THR A 10 11.126 -5.890 6.359 1.00 11.18 H new ATOM 0 HG22 THR A 10 12.824 -5.687 5.867 1.00 11.18 H new ATOM 0 HG23 THR A 10 12.426 -6.640 7.316 1.00 11.18 H new ATOM 169 N LEU A 11 13.262 -2.069 8.888 1.00 5.94 N ATOM 170 CA LEU A 11 13.254 -0.984 9.912 1.00 4.65 C ATOM 171 C LEU A 11 11.912 -1.002 10.661 1.00 3.47 C ATOM 172 O LEU A 11 11.806 -1.570 11.733 1.00 3.84 O ATOM 173 CB LEU A 11 13.477 0.370 9.219 1.00 5.46 C ATOM 174 CG LEU A 11 13.453 1.501 10.253 1.00 5.97 C ATOM 175 CD1 LEU A 11 14.714 1.433 11.115 1.00 6.82 C ATOM 176 CD2 LEU A 11 13.402 2.849 9.531 1.00 7.11 C ATOM 0 H LEU A 11 12.905 -1.800 7.971 1.00 5.94 H new ATOM 0 HA LEU A 11 14.056 -1.141 10.633 1.00 4.65 H new ATOM 0 HB2 LEU A 11 14.433 0.366 8.695 1.00 5.46 H new ATOM 0 HB3 LEU A 11 12.703 0.536 8.469 1.00 5.46 H new ATOM 0 HG LEU A 11 12.574 1.394 10.888 1.00 5.97 H new ATOM 0 HD11 LEU A 11 14.696 2.238 11.850 1.00 6.82 H new ATOM 0 HD12 LEU A 11 14.752 0.473 11.629 1.00 6.82 H new ATOM 0 HD13 LEU A 11 15.594 1.540 10.481 1.00 6.82 H new ATOM 0 HD21 LEU A 11 13.385 3.655 10.265 1.00 7.11 H new ATOM 0 HD22 LEU A 11 14.282 2.955 8.896 1.00 7.11 H new ATOM 0 HD23 LEU A 11 12.503 2.899 8.917 1.00 7.11 H new ATOM 188 N ASN A 12 10.890 -0.390 10.112 1.00 2.79 N ATOM 189 CA ASN A 12 9.563 -0.377 10.795 1.00 2.53 C ATOM 190 C ASN A 12 8.449 -0.295 9.750 1.00 2.39 C ATOM 191 O ASN A 12 7.596 -1.157 9.670 1.00 3.86 O ATOM 192 CB ASN A 12 9.481 0.835 11.725 1.00 3.28 C ATOM 193 CG ASN A 12 10.013 0.454 13.108 1.00 4.24 C ATOM 194 OD1 ASN A 12 9.800 -0.649 13.571 1.00 4.69 O ATOM 195 ND2 ASN A 12 10.701 1.327 13.793 1.00 5.22 N ATOM 0 H ASN A 12 10.920 0.101 9.219 1.00 2.79 H new ATOM 0 HA ASN A 12 9.446 -1.291 11.377 1.00 2.53 H new ATOM 0 HB2 ASN A 12 10.062 1.661 11.315 1.00 3.28 H new ATOM 0 HB3 ASN A 12 8.449 1.178 11.802 1.00 3.28 H new ATOM 0 HD21 ASN A 12 11.059 1.083 14.716 1.00 5.22 H new ATOM 0 HD22 ASN A 12 10.880 2.253 13.405 1.00 5.22 H new ATOM 202 N GLY A 13 8.450 0.746 8.955 1.00 1.62 N ATOM 203 CA GLY A 13 7.396 0.914 7.911 1.00 2.04 C ATOM 204 C GLY A 13 7.365 -0.294 6.973 1.00 1.81 C ATOM 205 O GLY A 13 6.854 -1.344 7.313 1.00 2.64 O ATOM 0 H GLY A 13 9.144 1.493 8.986 1.00 1.62 H new ATOM 0 HA2 GLY A 13 6.423 1.036 8.386 1.00 2.04 H new ATOM 0 HA3 GLY A 13 7.587 1.821 7.337 1.00 2.04 H new ATOM 209 N GLY A 14 7.880 -0.136 5.782 1.00 1.39 N ATOM 210 CA GLY A 14 7.857 -1.255 4.797 1.00 1.24 C ATOM 211 C GLY A 14 6.508 -1.229 4.080 1.00 1.02 C ATOM 212 O GLY A 14 5.962 -2.251 3.715 1.00 1.06 O ATOM 0 H GLY A 14 8.317 0.723 5.449 1.00 1.39 H new ATOM 0 HA2 GLY A 14 8.671 -1.148 4.080 1.00 1.24 H new ATOM 0 HA3 GLY A 14 8.001 -2.210 5.302 1.00 1.24 H new ATOM 216 N ILE A 15 5.968 -0.052 3.893 1.00 0.89 N ATOM 217 CA ILE A 15 4.648 0.084 3.217 1.00 0.74 C ATOM 218 C ILE A 15 4.821 0.005 1.711 1.00 0.60 C ATOM 219 O ILE A 15 4.295 -0.873 1.059 1.00 0.65 O ATOM 220 CB ILE A 15 4.041 1.440 3.532 1.00 0.66 C ATOM 221 CG1 ILE A 15 4.122 1.745 5.031 1.00 0.86 C ATOM 222 CG2 ILE A 15 2.583 1.416 3.106 1.00 0.66 C ATOM 223 CD1 ILE A 15 3.463 3.099 5.301 1.00 1.20 C ATOM 0 H ILE A 15 6.392 0.829 4.184 1.00 0.89 H new ATOM 0 HA ILE A 15 4.004 -0.720 3.572 1.00 0.74 H new ATOM 0 HB ILE A 15 4.593 2.213 2.998 1.00 0.66 H new ATOM 0 HG12 ILE A 15 3.622 0.963 5.602 1.00 0.86 H new ATOM 0 HG13 ILE A 15 5.162 1.761 5.356 1.00 0.86 H new ATOM 0 HG21 ILE A 15 2.125 2.381 3.323 1.00 0.66 H new ATOM 0 HG22 ILE A 15 2.520 1.216 2.036 1.00 0.66 H new ATOM 0 HG23 ILE A 15 2.057 0.634 3.653 1.00 0.66 H new ATOM 0 HD11 ILE A 15 3.516 3.324 6.366 1.00 1.20 H new ATOM 0 HD12 ILE A 15 3.983 3.875 4.740 1.00 1.20 H new ATOM 0 HD13 ILE A 15 2.419 3.064 4.989 1.00 1.20 H new ATOM 235 N THR A 16 5.533 0.947 1.158 1.00 0.51 N ATOM 236 CA THR A 16 5.728 0.977 -0.314 1.00 0.47 C ATOM 237 C THR A 16 6.441 -0.297 -0.792 1.00 0.51 C ATOM 238 O THR A 16 6.417 -0.618 -1.964 1.00 0.51 O ATOM 239 CB THR A 16 6.560 2.206 -0.702 1.00 0.52 C ATOM 240 OG1 THR A 16 6.989 2.078 -2.051 1.00 0.60 O ATOM 241 CG2 THR A 16 7.780 2.325 0.212 1.00 0.66 C ATOM 0 H THR A 16 5.991 1.702 1.669 1.00 0.51 H new ATOM 0 HA THR A 16 4.750 1.031 -0.791 1.00 0.47 H new ATOM 0 HB THR A 16 5.947 3.101 -0.594 1.00 0.52 H new ATOM 0 HG1 THR A 16 7.821 2.580 -2.179 1.00 0.60 H new ATOM 0 HG21 THR A 16 8.364 3.201 -0.072 1.00 0.66 H new ATOM 0 HG22 THR A 16 7.451 2.428 1.246 1.00 0.66 H new ATOM 0 HG23 THR A 16 8.396 1.431 0.115 1.00 0.66 H new ATOM 249 N ASP A 17 7.081 -1.018 0.098 1.00 0.62 N ATOM 250 CA ASP A 17 7.800 -2.260 -0.316 1.00 0.70 C ATOM 251 C ASP A 17 6.798 -3.397 -0.542 1.00 0.65 C ATOM 252 O ASP A 17 6.819 -4.057 -1.564 1.00 0.67 O ATOM 253 CB ASP A 17 8.786 -2.664 0.782 1.00 0.87 C ATOM 254 CG ASP A 17 9.805 -1.542 0.990 1.00 1.95 C ATOM 255 OD1 ASP A 17 10.273 -1.002 0.001 1.00 2.48 O ATOM 256 OD2 ASP A 17 10.100 -1.242 2.135 1.00 3.26 O ATOM 0 H ASP A 17 7.135 -0.798 1.093 1.00 0.62 H new ATOM 0 HA ASP A 17 8.338 -2.069 -1.245 1.00 0.70 H new ATOM 0 HB2 ASP A 17 8.251 -2.861 1.711 1.00 0.87 H new ATOM 0 HB3 ASP A 17 9.296 -3.587 0.506 1.00 0.87 H new ATOM 261 N MET A 18 5.930 -3.637 0.408 1.00 0.69 N ATOM 262 CA MET A 18 4.931 -4.739 0.260 1.00 0.70 C ATOM 263 C MET A 18 3.790 -4.314 -0.678 1.00 0.63 C ATOM 264 O MET A 18 3.052 -5.147 -1.176 1.00 0.67 O ATOM 265 CB MET A 18 4.356 -5.088 1.635 1.00 0.80 C ATOM 266 CG MET A 18 4.092 -6.598 1.715 1.00 1.78 C ATOM 267 SD MET A 18 4.526 -7.213 3.363 1.00 2.01 S ATOM 268 CE MET A 18 3.551 -8.736 3.303 1.00 3.11 C ATOM 0 H MET A 18 5.870 -3.116 1.283 1.00 0.69 H new ATOM 0 HA MET A 18 5.429 -5.609 -0.168 1.00 0.70 H new ATOM 0 HB2 MET A 18 5.052 -4.788 2.418 1.00 0.80 H new ATOM 0 HB3 MET A 18 3.431 -4.537 1.804 1.00 0.80 H new ATOM 0 HG2 MET A 18 3.042 -6.804 1.505 1.00 1.78 H new ATOM 0 HG3 MET A 18 4.677 -7.119 0.957 1.00 1.78 H new ATOM 0 HE1 MET A 18 3.674 -9.284 4.237 1.00 3.11 H new ATOM 0 HE2 MET A 18 2.499 -8.489 3.163 1.00 3.11 H new ATOM 0 HE3 MET A 18 3.893 -9.354 2.473 1.00 3.11 H new ATOM 278 N LEU A 19 3.647 -3.036 -0.940 1.00 0.56 N ATOM 279 CA LEU A 19 2.564 -2.579 -1.854 1.00 0.54 C ATOM 280 C LEU A 19 3.066 -2.757 -3.281 1.00 0.51 C ATOM 281 O LEU A 19 2.408 -3.332 -4.129 1.00 0.49 O ATOM 282 CB LEU A 19 2.243 -1.102 -1.583 1.00 0.55 C ATOM 283 CG LEU A 19 0.734 -0.931 -1.390 1.00 0.69 C ATOM 284 CD1 LEU A 19 0.351 -1.346 0.031 1.00 1.83 C ATOM 285 CD2 LEU A 19 0.353 0.533 -1.613 1.00 1.92 C ATOM 0 H LEU A 19 4.235 -2.295 -0.559 1.00 0.56 H new ATOM 0 HA LEU A 19 1.653 -3.157 -1.697 1.00 0.54 H new ATOM 0 HB2 LEU A 19 2.774 -0.761 -0.694 1.00 0.55 H new ATOM 0 HB3 LEU A 19 2.585 -0.486 -2.415 1.00 0.55 H new ATOM 0 HG LEU A 19 0.204 -1.558 -2.107 1.00 0.69 H new ATOM 0 HD11 LEU A 19 -0.723 -1.224 0.168 1.00 1.83 H new ATOM 0 HD12 LEU A 19 0.621 -2.390 0.191 1.00 1.83 H new ATOM 0 HD13 LEU A 19 0.882 -0.720 0.748 1.00 1.83 H new ATOM 0 HD21 LEU A 19 -0.721 0.654 -1.476 1.00 1.92 H new ATOM 0 HD22 LEU A 19 0.884 1.160 -0.897 1.00 1.92 H new ATOM 0 HD23 LEU A 19 0.625 0.829 -2.626 1.00 1.92 H new ATOM 297 N VAL A 20 4.256 -2.287 -3.528 1.00 0.56 N ATOM 298 CA VAL A 20 4.865 -2.433 -4.872 1.00 0.58 C ATOM 299 C VAL A 20 5.113 -3.925 -5.145 1.00 0.59 C ATOM 300 O VAL A 20 5.201 -4.344 -6.283 1.00 0.62 O ATOM 301 CB VAL A 20 6.190 -1.664 -4.896 1.00 0.63 C ATOM 302 CG1 VAL A 20 6.852 -1.808 -6.263 1.00 0.72 C ATOM 303 CG2 VAL A 20 5.920 -0.183 -4.620 1.00 0.65 C ATOM 0 H VAL A 20 4.837 -1.802 -2.845 1.00 0.56 H new ATOM 0 HA VAL A 20 4.202 -2.034 -5.640 1.00 0.58 H new ATOM 0 HB VAL A 20 6.853 -2.069 -4.132 1.00 0.63 H new ATOM 0 HG11 VAL A 20 7.793 -1.258 -6.271 1.00 0.72 H new ATOM 0 HG12 VAL A 20 7.045 -2.862 -6.464 1.00 0.72 H new ATOM 0 HG13 VAL A 20 6.191 -1.407 -7.031 1.00 0.72 H new ATOM 0 HG21 VAL A 20 6.861 0.368 -4.636 1.00 0.65 H new ATOM 0 HG22 VAL A 20 5.254 0.214 -5.386 1.00 0.65 H new ATOM 0 HG23 VAL A 20 5.453 -0.075 -3.641 1.00 0.65 H new ATOM 313 N GLU A 21 5.225 -4.726 -4.109 1.00 0.62 N ATOM 314 CA GLU A 21 5.462 -6.185 -4.304 1.00 0.67 C ATOM 315 C GLU A 21 4.216 -6.823 -4.921 1.00 0.62 C ATOM 316 O GLU A 21 4.304 -7.595 -5.863 1.00 0.63 O ATOM 317 CB GLU A 21 5.754 -6.840 -2.952 1.00 0.76 C ATOM 318 CG GLU A 21 6.564 -8.120 -3.167 1.00 1.11 C ATOM 319 CD GLU A 21 5.616 -9.280 -3.473 1.00 2.37 C ATOM 320 OE1 GLU A 21 5.010 -9.785 -2.543 1.00 3.33 O ATOM 321 OE2 GLU A 21 5.511 -9.645 -4.633 1.00 3.49 O ATOM 0 H GLU A 21 5.162 -4.426 -3.136 1.00 0.62 H new ATOM 0 HA GLU A 21 6.314 -6.330 -4.969 1.00 0.67 H new ATOM 0 HB2 GLU A 21 6.307 -6.150 -2.314 1.00 0.76 H new ATOM 0 HB3 GLU A 21 4.820 -7.070 -2.439 1.00 0.76 H new ATOM 0 HG2 GLU A 21 7.267 -7.984 -3.989 1.00 1.11 H new ATOM 0 HG3 GLU A 21 7.153 -8.343 -2.278 1.00 1.11 H new ATOM 328 N LEU A 22 3.048 -6.507 -4.404 1.00 0.64 N ATOM 329 CA LEU A 22 1.800 -7.101 -4.975 1.00 0.68 C ATOM 330 C LEU A 22 1.687 -6.721 -6.451 1.00 0.61 C ATOM 331 O LEU A 22 1.253 -7.508 -7.266 1.00 0.65 O ATOM 332 CB LEU A 22 0.565 -6.600 -4.226 1.00 0.92 C ATOM 333 CG LEU A 22 -0.524 -7.680 -4.280 1.00 0.92 C ATOM 334 CD1 LEU A 22 -1.732 -7.231 -3.468 1.00 1.60 C ATOM 335 CD2 LEU A 22 -0.958 -7.911 -5.729 1.00 1.73 C ATOM 0 H LEU A 22 2.909 -5.870 -3.620 1.00 0.64 H new ATOM 0 HA LEU A 22 1.853 -8.185 -4.870 1.00 0.68 H new ATOM 0 HB2 LEU A 22 0.819 -6.373 -3.191 1.00 0.92 H new ATOM 0 HB3 LEU A 22 0.201 -5.676 -4.675 1.00 0.92 H new ATOM 0 HG LEU A 22 -0.123 -8.605 -3.866 1.00 0.92 H new ATOM 0 HD11 LEU A 22 -2.504 -8.000 -3.508 1.00 1.60 H new ATOM 0 HD12 LEU A 22 -1.434 -7.069 -2.432 1.00 1.60 H new ATOM 0 HD13 LEU A 22 -2.124 -6.302 -3.882 1.00 1.60 H new ATOM 0 HD21 LEU A 22 -1.731 -8.679 -5.759 1.00 1.73 H new ATOM 0 HD22 LEU A 22 -1.352 -6.983 -6.143 1.00 1.73 H new ATOM 0 HD23 LEU A 22 -0.101 -8.236 -6.318 1.00 1.73 H new ATOM 347 N ALA A 23 2.091 -5.528 -6.804 1.00 0.60 N ATOM 348 CA ALA A 23 2.025 -5.118 -8.236 1.00 0.65 C ATOM 349 C ALA A 23 3.103 -5.885 -9.013 1.00 0.64 C ATOM 350 O ALA A 23 2.957 -6.167 -10.187 1.00 0.73 O ATOM 351 CB ALA A 23 2.271 -3.616 -8.358 1.00 0.78 C ATOM 0 H ALA A 23 2.462 -4.824 -6.165 1.00 0.60 H new ATOM 0 HA ALA A 23 1.039 -5.345 -8.642 1.00 0.65 H new ATOM 0 HB1 ALA A 23 2.221 -3.323 -9.407 1.00 0.78 H new ATOM 0 HB2 ALA A 23 1.511 -3.076 -7.794 1.00 0.78 H new ATOM 0 HB3 ALA A 23 3.257 -3.375 -7.960 1.00 0.78 H new ATOM 357 N ASN A 24 4.179 -6.237 -8.352 1.00 0.62 N ATOM 358 CA ASN A 24 5.268 -7.002 -9.022 1.00 0.72 C ATOM 359 C ASN A 24 4.890 -8.490 -9.114 1.00 0.79 C ATOM 360 O ASN A 24 5.635 -9.281 -9.658 1.00 1.00 O ATOM 361 CB ASN A 24 6.560 -6.857 -8.215 1.00 0.83 C ATOM 362 CG ASN A 24 7.724 -7.469 -8.997 1.00 1.40 C ATOM 363 OD1 ASN A 24 8.109 -6.962 -10.032 1.00 1.97 O ATOM 364 ND2 ASN A 24 8.305 -8.545 -8.543 1.00 2.37 N ATOM 0 H ASN A 24 4.347 -6.024 -7.369 1.00 0.62 H new ATOM 0 HA ASN A 24 5.413 -6.608 -10.028 1.00 0.72 H new ATOM 0 HB2 ASN A 24 6.758 -5.804 -8.012 1.00 0.83 H new ATOM 0 HB3 ASN A 24 6.456 -7.353 -7.250 1.00 0.83 H new ATOM 0 HD21 ASN A 24 9.082 -8.960 -9.057 1.00 2.37 H new ATOM 0 HD22 ASN A 24 7.982 -8.971 -7.674 1.00 2.37 H new ATOM 371 N PHE A 25 3.737 -8.876 -8.583 1.00 0.72 N ATOM 372 CA PHE A 25 3.282 -10.312 -8.630 1.00 0.89 C ATOM 373 C PHE A 25 3.566 -10.927 -10.011 1.00 1.07 C ATOM 374 O PHE A 25 4.118 -12.004 -10.119 1.00 1.41 O ATOM 375 CB PHE A 25 1.769 -10.356 -8.342 1.00 0.81 C ATOM 376 CG PHE A 25 1.509 -10.896 -6.952 1.00 0.94 C ATOM 377 CD1 PHE A 25 2.236 -10.416 -5.856 1.00 2.18 C ATOM 378 CD2 PHE A 25 0.527 -11.874 -6.763 1.00 1.90 C ATOM 379 CE1 PHE A 25 1.981 -10.915 -4.574 1.00 2.31 C ATOM 380 CE2 PHE A 25 0.272 -12.374 -5.482 1.00 2.02 C ATOM 381 CZ PHE A 25 0.999 -11.894 -4.386 1.00 1.40 C ATOM 0 H PHE A 25 3.087 -8.245 -8.114 1.00 0.72 H new ATOM 0 HA PHE A 25 3.827 -10.889 -7.883 1.00 0.89 H new ATOM 0 HB2 PHE A 25 1.346 -9.356 -8.435 1.00 0.81 H new ATOM 0 HB3 PHE A 25 1.270 -10.983 -9.081 1.00 0.81 H new ATOM 0 HD1 PHE A 25 2.994 -9.660 -6.000 1.00 2.18 H new ATOM 0 HD2 PHE A 25 -0.035 -12.244 -7.608 1.00 1.90 H new ATOM 0 HE1 PHE A 25 2.542 -10.544 -3.729 1.00 2.31 H new ATOM 0 HE2 PHE A 25 -0.486 -13.130 -5.338 1.00 2.02 H new ATOM 0 HZ PHE A 25 0.802 -12.279 -3.396 1.00 1.40 H new ATOM 391 N GLU A 26 3.216 -10.225 -11.062 1.00 1.00 N ATOM 392 CA GLU A 26 3.478 -10.722 -12.457 1.00 1.25 C ATOM 393 C GLU A 26 3.069 -12.195 -12.618 1.00 1.52 C ATOM 394 O GLU A 26 3.612 -12.906 -13.443 1.00 1.95 O ATOM 395 CB GLU A 26 4.970 -10.581 -12.764 1.00 1.45 C ATOM 396 CG GLU A 26 5.159 -10.252 -14.246 1.00 2.01 C ATOM 397 CD GLU A 26 5.103 -8.736 -14.444 1.00 2.60 C ATOM 398 OE1 GLU A 26 6.051 -8.073 -14.056 1.00 3.31 O ATOM 399 OE2 GLU A 26 4.114 -8.264 -14.979 1.00 3.71 O ATOM 0 H GLU A 26 2.754 -9.317 -11.015 1.00 1.00 H new ATOM 0 HA GLU A 26 2.883 -10.126 -13.149 1.00 1.25 H new ATOM 0 HB2 GLU A 26 5.406 -9.795 -12.148 1.00 1.45 H new ATOM 0 HB3 GLU A 26 5.492 -11.506 -12.517 1.00 1.45 H new ATOM 0 HG2 GLU A 26 6.115 -10.640 -14.596 1.00 2.01 H new ATOM 0 HG3 GLU A 26 4.382 -10.736 -14.839 1.00 2.01 H new ATOM 406 N LYS A 27 2.120 -12.652 -11.843 1.00 1.49 N ATOM 407 CA LYS A 27 1.678 -14.073 -11.953 1.00 1.88 C ATOM 408 C LYS A 27 0.224 -14.176 -11.494 1.00 1.88 C ATOM 409 O LYS A 27 -0.671 -14.391 -12.290 1.00 2.06 O ATOM 410 CB LYS A 27 2.568 -14.959 -11.073 1.00 2.23 C ATOM 411 CG LYS A 27 2.875 -16.267 -11.805 1.00 2.58 C ATOM 412 CD LYS A 27 3.891 -17.078 -10.998 1.00 3.51 C ATOM 413 CE LYS A 27 3.608 -18.571 -11.176 1.00 3.94 C ATOM 414 NZ LYS A 27 4.239 -19.049 -12.439 1.00 4.10 N ATOM 0 H LYS A 27 1.631 -12.101 -11.137 1.00 1.49 H new ATOM 0 HA LYS A 27 1.760 -14.408 -12.987 1.00 1.88 H new ATOM 0 HB2 LYS A 27 3.495 -14.438 -10.835 1.00 2.23 H new ATOM 0 HB3 LYS A 27 2.068 -15.169 -10.127 1.00 2.23 H new ATOM 0 HG2 LYS A 27 1.960 -16.843 -11.941 1.00 2.58 H new ATOM 0 HG3 LYS A 27 3.270 -16.056 -12.799 1.00 2.58 H new ATOM 0 HD2 LYS A 27 4.903 -16.847 -11.330 1.00 3.51 H new ATOM 0 HD3 LYS A 27 3.832 -16.809 -9.943 1.00 3.51 H new ATOM 0 HE2 LYS A 27 4.000 -19.130 -10.327 1.00 3.94 H new ATOM 0 HE3 LYS A 27 2.533 -18.747 -11.205 1.00 3.94 H new ATOM 0 HZ1 LYS A 27 4.047 -20.064 -12.561 1.00 4.10 H new ATOM 0 HZ2 LYS A 27 3.845 -18.523 -13.245 1.00 4.10 H new ATOM 0 HZ3 LYS A 27 5.266 -18.894 -12.394 1.00 4.10 H new ATOM 428 N ASN A 28 -0.017 -14.006 -10.219 1.00 1.83 N ATOM 429 CA ASN A 28 -1.414 -14.073 -9.707 1.00 2.00 C ATOM 430 C ASN A 28 -2.130 -12.771 -10.073 1.00 1.79 C ATOM 431 O ASN A 28 -3.330 -12.747 -10.269 1.00 2.10 O ATOM 432 CB ASN A 28 -1.397 -14.254 -8.182 1.00 2.11 C ATOM 433 CG ASN A 28 -2.369 -15.368 -7.783 1.00 2.78 C ATOM 434 OD1 ASN A 28 -1.963 -16.388 -7.263 1.00 4.08 O ATOM 435 ND2 ASN A 28 -3.646 -15.215 -8.008 1.00 2.79 N ATOM 0 H ASN A 28 0.695 -13.824 -9.512 1.00 1.83 H new ATOM 0 HA ASN A 28 -1.937 -14.919 -10.153 1.00 2.00 H new ATOM 0 HB2 ASN A 28 -0.389 -14.500 -7.847 1.00 2.11 H new ATOM 0 HB3 ASN A 28 -1.677 -13.321 -7.692 1.00 2.11 H new ATOM 0 HD21 ASN A 28 -4.302 -15.952 -7.747 1.00 2.79 H new ATOM 0 HD22 ASN A 28 -3.988 -14.359 -8.445 1.00 2.79 H new ATOM 442 N VAL A 29 -1.396 -11.687 -10.172 1.00 1.54 N ATOM 443 CA VAL A 29 -2.019 -10.386 -10.532 1.00 1.54 C ATOM 444 C VAL A 29 -1.582 -10.003 -11.944 1.00 1.90 C ATOM 445 O VAL A 29 -0.416 -9.776 -12.206 1.00 2.99 O ATOM 446 CB VAL A 29 -1.572 -9.296 -9.553 1.00 1.10 C ATOM 447 CG1 VAL A 29 -2.490 -8.088 -9.701 1.00 1.45 C ATOM 448 CG2 VAL A 29 -1.650 -9.813 -8.107 1.00 1.12 C ATOM 0 H VAL A 29 -0.388 -11.654 -10.017 1.00 1.54 H new ATOM 0 HA VAL A 29 -3.104 -10.481 -10.485 1.00 1.54 H new ATOM 0 HB VAL A 29 -0.542 -9.018 -9.776 1.00 1.10 H new ATOM 0 HG11 VAL A 29 -2.179 -7.307 -9.007 1.00 1.45 H new ATOM 0 HG12 VAL A 29 -2.433 -7.710 -10.722 1.00 1.45 H new ATOM 0 HG13 VAL A 29 -3.516 -8.382 -9.480 1.00 1.45 H new ATOM 0 HG21 VAL A 29 -1.329 -9.028 -7.422 1.00 1.12 H new ATOM 0 HG22 VAL A 29 -2.677 -10.098 -7.877 1.00 1.12 H new ATOM 0 HG23 VAL A 29 -0.999 -10.680 -7.995 1.00 1.12 H new ATOM 458 N SER A 30 -2.514 -9.942 -12.851 1.00 2.23 N ATOM 459 CA SER A 30 -2.194 -9.584 -14.261 1.00 2.72 C ATOM 460 C SER A 30 -1.563 -8.185 -14.323 1.00 2.62 C ATOM 461 O SER A 30 -1.056 -7.680 -13.340 1.00 3.50 O ATOM 462 CB SER A 30 -3.491 -9.605 -15.065 1.00 4.31 C ATOM 463 OG SER A 30 -3.269 -10.247 -16.315 1.00 5.00 O ATOM 0 H SER A 30 -3.501 -10.128 -12.673 1.00 2.23 H new ATOM 0 HA SER A 30 -1.482 -10.299 -14.674 1.00 2.72 H new ATOM 0 HB2 SER A 30 -4.267 -10.130 -14.508 1.00 4.31 H new ATOM 0 HB3 SER A 30 -3.847 -8.587 -15.226 1.00 4.31 H new ATOM 0 HG SER A 30 -4.104 -10.261 -16.828 1.00 5.00 H new ATOM 469 N GLN A 31 -1.587 -7.561 -15.477 1.00 3.10 N ATOM 470 CA GLN A 31 -0.983 -6.205 -15.611 1.00 4.50 C ATOM 471 C GLN A 31 -2.059 -5.176 -15.981 1.00 4.83 C ATOM 472 O GLN A 31 -1.779 -4.203 -16.655 1.00 6.17 O ATOM 473 CB GLN A 31 0.085 -6.235 -16.706 1.00 5.81 C ATOM 474 CG GLN A 31 1.226 -7.160 -16.282 1.00 6.18 C ATOM 475 CD GLN A 31 0.942 -8.580 -16.774 1.00 5.87 C ATOM 476 OE1 GLN A 31 0.803 -8.809 -17.959 1.00 6.16 O ATOM 477 NE2 GLN A 31 0.850 -9.552 -15.907 1.00 6.04 N ATOM 0 H GLN A 31 -2.000 -7.936 -16.331 1.00 3.10 H new ATOM 0 HA GLN A 31 -0.534 -5.921 -14.659 1.00 4.50 H new ATOM 0 HB2 GLN A 31 -0.350 -6.583 -17.643 1.00 5.81 H new ATOM 0 HB3 GLN A 31 0.466 -5.229 -16.885 1.00 5.81 H new ATOM 0 HG2 GLN A 31 2.170 -6.803 -16.694 1.00 6.18 H new ATOM 0 HG3 GLN A 31 1.329 -7.154 -15.197 1.00 6.18 H new ATOM 0 HE21 GLN A 31 0.967 -9.361 -14.912 1.00 6.04 H new ATOM 0 HE22 GLN A 31 0.662 -10.503 -16.225 1.00 6.04 H new ATOM 486 N ALA A 32 -3.283 -5.377 -15.549 1.00 3.99 N ATOM 487 CA ALA A 32 -4.362 -4.396 -15.886 1.00 4.38 C ATOM 488 C ALA A 32 -5.652 -4.729 -15.125 1.00 3.25 C ATOM 489 O ALA A 32 -6.741 -4.483 -15.608 1.00 3.84 O ATOM 490 CB ALA A 32 -4.636 -4.443 -17.390 1.00 5.52 C ATOM 0 H ALA A 32 -3.578 -6.172 -14.982 1.00 3.99 H new ATOM 0 HA ALA A 32 -4.032 -3.398 -15.596 1.00 4.38 H new ATOM 0 HB1 ALA A 32 -5.422 -3.730 -17.639 1.00 5.52 H new ATOM 0 HB2 ALA A 32 -3.727 -4.186 -17.934 1.00 5.52 H new ATOM 0 HB3 ALA A 32 -4.955 -5.447 -17.670 1.00 5.52 H new ATOM 496 N ILE A 33 -5.540 -5.276 -13.941 1.00 2.18 N ATOM 497 CA ILE A 33 -6.760 -5.615 -13.147 1.00 1.50 C ATOM 498 C ILE A 33 -7.131 -4.424 -12.253 1.00 1.90 C ATOM 499 O ILE A 33 -6.338 -3.526 -12.053 1.00 2.82 O ATOM 500 CB ILE A 33 -6.473 -6.846 -12.281 1.00 2.11 C ATOM 501 CG1 ILE A 33 -5.991 -7.993 -13.180 1.00 2.74 C ATOM 502 CG2 ILE A 33 -7.745 -7.263 -11.540 1.00 3.11 C ATOM 503 CD1 ILE A 33 -5.706 -9.238 -12.334 1.00 3.56 C ATOM 0 H ILE A 33 -4.654 -5.503 -13.489 1.00 2.18 H new ATOM 0 HA ILE A 33 -7.590 -5.832 -13.819 1.00 1.50 H new ATOM 0 HB ILE A 33 -5.700 -6.609 -11.550 1.00 2.11 H new ATOM 0 HG12 ILE A 33 -6.747 -8.219 -13.932 1.00 2.74 H new ATOM 0 HG13 ILE A 33 -5.090 -7.693 -13.715 1.00 2.74 H new ATOM 0 HG21 ILE A 33 -7.537 -8.139 -10.925 1.00 3.11 H new ATOM 0 HG22 ILE A 33 -8.080 -6.444 -10.904 1.00 3.11 H new ATOM 0 HG23 ILE A 33 -8.525 -7.504 -12.263 1.00 3.11 H new ATOM 0 HD11 ILE A 33 -5.365 -10.047 -12.980 1.00 3.56 H new ATOM 0 HD12 ILE A 33 -4.934 -9.010 -11.599 1.00 3.56 H new ATOM 0 HD13 ILE A 33 -6.617 -9.545 -11.820 1.00 3.56 H new ATOM 515 N HIS A 34 -8.327 -4.414 -11.709 1.00 1.82 N ATOM 516 CA HIS A 34 -8.737 -3.279 -10.815 1.00 2.28 C ATOM 517 C HIS A 34 -7.969 -3.411 -9.500 1.00 1.86 C ATOM 518 O HIS A 34 -7.335 -2.481 -9.039 1.00 2.41 O ATOM 519 CB HIS A 34 -10.253 -3.300 -10.501 1.00 3.07 C ATOM 520 CG HIS A 34 -11.043 -3.958 -11.604 1.00 3.50 C ATOM 521 ND1 HIS A 34 -11.361 -5.305 -11.569 1.00 3.59 N ATOM 522 CD2 HIS A 34 -11.583 -3.474 -12.769 1.00 5.01 C ATOM 523 CE1 HIS A 34 -12.062 -5.586 -12.679 1.00 4.92 C ATOM 524 NE2 HIS A 34 -12.228 -4.505 -13.448 1.00 5.83 N ATOM 0 H HIS A 34 -9.033 -5.137 -11.844 1.00 1.82 H new ATOM 0 HA HIS A 34 -8.514 -2.343 -11.327 1.00 2.28 H new ATOM 0 HB2 HIS A 34 -10.423 -3.832 -9.565 1.00 3.07 H new ATOM 0 HB3 HIS A 34 -10.609 -2.280 -10.357 1.00 3.07 H new ATOM 0 HD2 HIS A 34 -11.518 -2.450 -13.108 1.00 5.01 H new ATOM 0 HE1 HIS A 34 -12.445 -6.566 -12.921 1.00 4.92 H new ATOM 0 HE2 HIS A 34 -12.721 -4.448 -14.339 1.00 5.83 H new ATOM 532 N LYS A 35 -8.019 -4.575 -8.901 1.00 1.35 N ATOM 533 CA LYS A 35 -7.291 -4.806 -7.615 1.00 1.17 C ATOM 534 C LYS A 35 -5.792 -4.613 -7.858 1.00 0.97 C ATOM 535 O LYS A 35 -5.063 -4.146 -7.005 1.00 0.93 O ATOM 536 CB LYS A 35 -7.548 -6.238 -7.123 1.00 1.16 C ATOM 537 CG LYS A 35 -9.043 -6.570 -7.223 1.00 1.88 C ATOM 538 CD LYS A 35 -9.439 -7.497 -6.072 1.00 2.16 C ATOM 539 CE LYS A 35 -9.106 -8.942 -6.444 1.00 2.90 C ATOM 540 NZ LYS A 35 -9.958 -9.869 -5.645 1.00 3.52 N ATOM 0 H LYS A 35 -8.537 -5.381 -9.251 1.00 1.35 H new ATOM 0 HA LYS A 35 -7.642 -4.102 -6.861 1.00 1.17 H new ATOM 0 HB2 LYS A 35 -6.970 -6.945 -7.719 1.00 1.16 H new ATOM 0 HB3 LYS A 35 -7.213 -6.342 -6.091 1.00 1.16 H new ATOM 0 HG2 LYS A 35 -9.633 -5.654 -7.186 1.00 1.88 H new ATOM 0 HG3 LYS A 35 -9.257 -7.048 -8.179 1.00 1.88 H new ATOM 0 HD2 LYS A 35 -8.909 -7.213 -5.163 1.00 2.16 H new ATOM 0 HD3 LYS A 35 -10.504 -7.400 -5.863 1.00 2.16 H new ATOM 0 HE2 LYS A 35 -9.274 -9.103 -7.509 1.00 2.90 H new ATOM 0 HE3 LYS A 35 -8.052 -9.144 -6.254 1.00 2.90 H new ATOM 0 HZ1 LYS A 35 -9.732 -10.852 -5.897 1.00 3.52 H new ATOM 0 HZ2 LYS A 35 -9.776 -9.721 -4.632 1.00 3.52 H new ATOM 0 HZ3 LYS A 35 -10.961 -9.681 -5.848 1.00 3.52 H new ATOM 554 N TYR A 36 -5.342 -4.967 -9.032 1.00 0.99 N ATOM 555 CA TYR A 36 -3.905 -4.812 -9.390 1.00 0.92 C ATOM 556 C TYR A 36 -3.514 -3.325 -9.298 1.00 0.85 C ATOM 557 O TYR A 36 -2.526 -2.973 -8.683 1.00 0.92 O ATOM 558 CB TYR A 36 -3.732 -5.331 -10.828 1.00 1.02 C ATOM 559 CG TYR A 36 -2.358 -5.019 -11.369 1.00 1.10 C ATOM 560 CD1 TYR A 36 -1.214 -5.380 -10.652 1.00 2.39 C ATOM 561 CD2 TYR A 36 -2.240 -4.366 -12.596 1.00 1.89 C ATOM 562 CE1 TYR A 36 0.049 -5.084 -11.167 1.00 2.45 C ATOM 563 CE2 TYR A 36 -0.980 -4.069 -13.113 1.00 2.07 C ATOM 564 CZ TYR A 36 0.169 -4.427 -12.398 1.00 1.48 C ATOM 565 OH TYR A 36 1.418 -4.135 -12.906 1.00 1.74 O ATOM 0 H TYR A 36 -5.922 -5.364 -9.771 1.00 0.99 H new ATOM 0 HA TYR A 36 -3.264 -5.373 -8.710 1.00 0.92 H new ATOM 0 HB2 TYR A 36 -3.896 -6.408 -10.849 1.00 1.02 H new ATOM 0 HB3 TYR A 36 -4.488 -4.881 -11.471 1.00 1.02 H new ATOM 0 HD1 TYR A 36 -1.307 -5.886 -9.703 1.00 2.39 H new ATOM 0 HD2 TYR A 36 -3.127 -4.090 -13.147 1.00 1.89 H new ATOM 0 HE1 TYR A 36 0.935 -5.362 -10.615 1.00 2.45 H new ATOM 0 HE2 TYR A 36 -0.890 -3.564 -14.063 1.00 2.07 H new ATOM 0 HH TYR A 36 1.322 -3.679 -13.768 1.00 1.74 H new ATOM 575 N ASN A 37 -4.285 -2.462 -9.910 1.00 0.81 N ATOM 576 CA ASN A 37 -3.971 -1.002 -9.871 1.00 0.85 C ATOM 577 C ASN A 37 -4.264 -0.424 -8.478 1.00 0.64 C ATOM 578 O ASN A 37 -3.937 0.712 -8.199 1.00 0.65 O ATOM 579 CB ASN A 37 -4.825 -0.273 -10.910 1.00 1.04 C ATOM 580 CG ASN A 37 -4.328 1.165 -11.062 1.00 1.99 C ATOM 581 OD1 ASN A 37 -3.165 1.444 -10.846 1.00 3.30 O ATOM 582 ND2 ASN A 37 -5.165 2.097 -11.427 1.00 2.69 N ATOM 0 H ASN A 37 -5.123 -2.708 -10.438 1.00 0.81 H new ATOM 0 HA ASN A 37 -2.913 -0.865 -10.093 1.00 0.85 H new ATOM 0 HB2 ASN A 37 -4.771 -0.790 -11.868 1.00 1.04 H new ATOM 0 HB3 ASN A 37 -5.871 -0.277 -10.604 1.00 1.04 H new ATOM 0 HD21 ASN A 37 -4.843 3.059 -11.531 1.00 2.69 H new ATOM 0 HD22 ASN A 37 -6.141 1.863 -11.608 1.00 2.69 H new ATOM 589 N ALA A 38 -4.879 -1.186 -7.607 1.00 0.57 N ATOM 590 CA ALA A 38 -5.189 -0.672 -6.240 1.00 0.52 C ATOM 591 C ALA A 38 -3.886 -0.479 -5.457 1.00 0.44 C ATOM 592 O ALA A 38 -3.759 0.427 -4.655 1.00 0.46 O ATOM 593 CB ALA A 38 -6.073 -1.689 -5.510 1.00 0.62 C ATOM 0 H ALA A 38 -5.180 -2.144 -7.786 1.00 0.57 H new ATOM 0 HA ALA A 38 -5.710 0.282 -6.318 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -6.303 -1.320 -4.511 1.00 0.62 H new ATOM 0 HB2 ALA A 38 -6.999 -1.832 -6.067 1.00 0.62 H new ATOM 0 HB3 ALA A 38 -5.546 -2.640 -5.433 1.00 0.62 H new ATOM 599 N TYR A 39 -2.925 -1.334 -5.679 1.00 0.47 N ATOM 600 CA TYR A 39 -1.623 -1.226 -4.942 1.00 0.53 C ATOM 601 C TYR A 39 -0.682 -0.268 -5.680 1.00 0.50 C ATOM 602 O TYR A 39 0.272 0.228 -5.112 1.00 0.52 O ATOM 603 CB TYR A 39 -0.936 -2.605 -4.822 1.00 0.69 C ATOM 604 CG TYR A 39 -1.955 -3.724 -4.878 1.00 0.68 C ATOM 605 CD1 TYR A 39 -2.916 -3.846 -3.869 1.00 1.79 C ATOM 606 CD2 TYR A 39 -1.946 -4.621 -5.951 1.00 1.45 C ATOM 607 CE1 TYR A 39 -3.869 -4.867 -3.933 1.00 1.78 C ATOM 608 CE2 TYR A 39 -2.896 -5.644 -6.014 1.00 1.50 C ATOM 609 CZ TYR A 39 -3.859 -5.768 -5.005 1.00 0.74 C ATOM 610 OH TYR A 39 -4.799 -6.777 -5.068 1.00 0.79 O ATOM 0 H TYR A 39 -2.981 -2.108 -6.341 1.00 0.47 H new ATOM 0 HA TYR A 39 -1.836 -0.847 -3.942 1.00 0.53 H new ATOM 0 HB2 TYR A 39 -0.212 -2.726 -5.628 1.00 0.69 H new ATOM 0 HB3 TYR A 39 -0.382 -2.659 -3.885 1.00 0.69 H new ATOM 0 HD1 TYR A 39 -2.922 -3.152 -3.041 1.00 1.79 H new ATOM 0 HD2 TYR A 39 -1.205 -4.523 -6.731 1.00 1.45 H new ATOM 0 HE1 TYR A 39 -4.613 -4.961 -3.156 1.00 1.78 H new ATOM 0 HE2 TYR A 39 -2.887 -6.339 -6.841 1.00 1.50 H new ATOM 0 HH TYR A 39 -4.651 -7.312 -5.876 1.00 0.79 H new ATOM 620 N ARG A 40 -0.938 -0.008 -6.939 1.00 0.52 N ATOM 621 CA ARG A 40 -0.058 0.914 -7.710 1.00 0.57 C ATOM 622 C ARG A 40 -0.372 2.362 -7.321 1.00 0.49 C ATOM 623 O ARG A 40 0.515 3.143 -7.034 1.00 0.56 O ATOM 624 CB ARG A 40 -0.314 0.712 -9.204 1.00 0.68 C ATOM 625 CG ARG A 40 0.794 1.391 -10.011 1.00 0.88 C ATOM 626 CD ARG A 40 2.091 0.593 -9.866 1.00 1.22 C ATOM 627 NE ARG A 40 3.113 1.124 -10.821 1.00 1.84 N ATOM 628 CZ ARG A 40 4.389 0.809 -10.707 1.00 2.92 C ATOM 629 NH1 ARG A 40 4.820 0.015 -9.754 1.00 3.88 N ATOM 630 NH2 ARG A 40 5.243 1.298 -11.564 1.00 3.68 N ATOM 0 H ARG A 40 -1.721 -0.397 -7.464 1.00 0.52 H new ATOM 0 HA ARG A 40 0.988 0.703 -7.487 1.00 0.57 H new ATOM 0 HB2 ARG A 40 -0.347 -0.352 -9.437 1.00 0.68 H new ATOM 0 HB3 ARG A 40 -1.284 1.128 -9.477 1.00 0.68 H new ATOM 0 HG2 ARG A 40 0.508 1.453 -11.061 1.00 0.88 H new ATOM 0 HG3 ARG A 40 0.941 2.412 -9.660 1.00 0.88 H new ATOM 0 HD2 ARG A 40 2.462 0.664 -8.843 1.00 1.22 H new ATOM 0 HD3 ARG A 40 1.905 -0.462 -10.065 1.00 1.22 H new ATOM 0 HE ARG A 40 2.817 1.743 -11.576 1.00 1.84 H new ATOM 0 HH11 ARG A 40 4.162 -0.375 -9.079 1.00 3.88 H new ATOM 0 HH12 ARG A 40 5.812 -0.212 -9.689 1.00 3.88 H new ATOM 0 HH21 ARG A 40 4.921 1.915 -12.310 1.00 3.68 H new ATOM 0 HH22 ARG A 40 6.233 1.063 -11.488 1.00 3.68 H new ATOM 644 N LYS A 41 -1.631 2.718 -7.305 1.00 0.50 N ATOM 645 CA LYS A 41 -2.021 4.108 -6.930 1.00 0.58 C ATOM 646 C LYS A 41 -1.725 4.333 -5.447 1.00 0.56 C ATOM 647 O LYS A 41 -1.200 5.361 -5.059 1.00 0.61 O ATOM 648 CB LYS A 41 -3.517 4.303 -7.186 1.00 0.68 C ATOM 649 CG LYS A 41 -3.735 4.772 -8.626 1.00 1.48 C ATOM 650 CD LYS A 41 -5.127 5.392 -8.755 1.00 1.73 C ATOM 651 CE LYS A 41 -6.189 4.304 -8.583 1.00 2.94 C ATOM 652 NZ LYS A 41 -7.398 4.887 -7.937 1.00 3.73 N ATOM 0 H LYS A 41 -2.409 2.101 -7.537 1.00 0.50 H new ATOM 0 HA LYS A 41 -1.454 4.821 -7.528 1.00 0.58 H new ATOM 0 HB2 LYS A 41 -4.051 3.369 -7.013 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -3.923 5.036 -6.489 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -2.973 5.501 -8.901 1.00 1.48 H new ATOM 0 HG3 LYS A 41 -3.634 3.931 -9.313 1.00 1.48 H new ATOM 0 HD2 LYS A 41 -5.262 6.169 -8.002 1.00 1.73 H new ATOM 0 HD3 LYS A 41 -5.235 5.870 -9.729 1.00 1.73 H new ATOM 0 HE2 LYS A 41 -6.451 3.880 -9.552 1.00 2.94 H new ATOM 0 HE3 LYS A 41 -5.795 3.490 -7.974 1.00 2.94 H new ATOM 0 HZ1 LYS A 41 -8.120 4.147 -7.820 1.00 3.73 H new ATOM 0 HZ2 LYS A 41 -7.142 5.272 -7.005 1.00 3.73 H new ATOM 0 HZ3 LYS A 41 -7.777 5.649 -8.534 1.00 3.73 H new ATOM 666 N ALA A 42 -2.054 3.374 -4.617 1.00 0.56 N ATOM 667 CA ALA A 42 -1.788 3.523 -3.158 1.00 0.63 C ATOM 668 C ALA A 42 -0.278 3.549 -2.926 1.00 0.56 C ATOM 669 O ALA A 42 0.205 4.195 -2.020 1.00 0.66 O ATOM 670 CB ALA A 42 -2.400 2.344 -2.395 1.00 0.72 C ATOM 0 H ALA A 42 -2.495 2.496 -4.889 1.00 0.56 H new ATOM 0 HA ALA A 42 -2.234 4.451 -2.800 1.00 0.63 H new ATOM 0 HB1 ALA A 42 -2.202 2.458 -1.329 1.00 0.72 H new ATOM 0 HB2 ALA A 42 -3.477 2.321 -2.564 1.00 0.72 H new ATOM 0 HB3 ALA A 42 -1.957 1.413 -2.748 1.00 0.72 H new ATOM 676 N ALA A 43 0.466 2.853 -3.747 1.00 0.57 N ATOM 677 CA ALA A 43 1.952 2.827 -3.595 1.00 0.57 C ATOM 678 C ALA A 43 2.544 4.173 -4.031 1.00 0.53 C ATOM 679 O ALA A 43 3.656 4.508 -3.675 1.00 0.55 O ATOM 680 CB ALA A 43 2.526 1.710 -4.466 1.00 0.66 C ATOM 0 H ALA A 43 0.105 2.297 -4.522 1.00 0.57 H new ATOM 0 HA ALA A 43 2.207 2.648 -2.550 1.00 0.57 H new ATOM 0 HB1 ALA A 43 3.610 1.686 -4.359 1.00 0.66 H new ATOM 0 HB2 ALA A 43 2.109 0.753 -4.152 1.00 0.66 H new ATOM 0 HB3 ALA A 43 2.268 1.893 -5.509 1.00 0.66 H new ATOM 686 N SER A 44 1.812 4.947 -4.796 1.00 0.59 N ATOM 687 CA SER A 44 2.335 6.271 -5.242 1.00 0.60 C ATOM 688 C SER A 44 2.179 7.274 -4.097 1.00 0.51 C ATOM 689 O SER A 44 2.995 8.159 -3.918 1.00 0.51 O ATOM 690 CB SER A 44 1.541 6.752 -6.457 1.00 0.73 C ATOM 691 OG SER A 44 1.742 5.849 -7.536 1.00 1.64 O ATOM 0 H SER A 44 0.876 4.717 -5.129 1.00 0.59 H new ATOM 0 HA SER A 44 3.386 6.182 -5.515 1.00 0.60 H new ATOM 0 HB2 SER A 44 0.481 6.814 -6.212 1.00 0.73 H new ATOM 0 HB3 SER A 44 1.861 7.754 -6.742 1.00 0.73 H new ATOM 0 HG SER A 44 1.313 4.992 -7.330 1.00 1.64 H new ATOM 697 N VAL A 45 1.134 7.135 -3.320 1.00 0.51 N ATOM 698 CA VAL A 45 0.907 8.070 -2.177 1.00 0.47 C ATOM 699 C VAL A 45 1.583 7.526 -0.903 1.00 0.43 C ATOM 700 O VAL A 45 1.761 8.247 0.059 1.00 0.60 O ATOM 701 CB VAL A 45 -0.606 8.222 -1.948 1.00 0.54 C ATOM 702 CG1 VAL A 45 -1.224 6.856 -1.636 1.00 0.57 C ATOM 703 CG2 VAL A 45 -0.868 9.179 -0.777 1.00 0.56 C ATOM 0 H VAL A 45 0.425 6.410 -3.429 1.00 0.51 H new ATOM 0 HA VAL A 45 1.342 9.042 -2.409 1.00 0.47 H new ATOM 0 HB VAL A 45 -1.059 8.628 -2.852 1.00 0.54 H new ATOM 0 HG11 VAL A 45 -2.296 6.970 -1.475 1.00 0.57 H new ATOM 0 HG12 VAL A 45 -1.053 6.179 -2.473 1.00 0.57 H new ATOM 0 HG13 VAL A 45 -0.764 6.445 -0.738 1.00 0.57 H new ATOM 0 HG21 VAL A 45 -1.942 9.280 -0.623 1.00 0.56 H new ATOM 0 HG22 VAL A 45 -0.407 8.782 0.128 1.00 0.56 H new ATOM 0 HG23 VAL A 45 -0.441 10.156 -1.003 1.00 0.56 H new ATOM 713 N ILE A 46 1.952 6.265 -0.887 1.00 0.42 N ATOM 714 CA ILE A 46 2.606 5.680 0.323 1.00 0.51 C ATOM 715 C ILE A 46 4.130 5.850 0.201 1.00 0.47 C ATOM 716 O ILE A 46 4.780 6.359 1.093 1.00 0.59 O ATOM 717 CB ILE A 46 2.182 4.183 0.437 1.00 0.78 C ATOM 718 CG1 ILE A 46 1.092 4.056 1.503 1.00 0.85 C ATOM 719 CG2 ILE A 46 3.346 3.255 0.825 1.00 1.71 C ATOM 720 CD1 ILE A 46 0.381 2.711 1.356 1.00 1.47 C ATOM 0 H ILE A 46 1.827 5.616 -1.664 1.00 0.42 H new ATOM 0 HA ILE A 46 2.292 6.191 1.233 1.00 0.51 H new ATOM 0 HB ILE A 46 1.827 3.876 -0.547 1.00 0.78 H new ATOM 0 HG12 ILE A 46 1.531 4.139 2.497 1.00 0.85 H new ATOM 0 HG13 ILE A 46 0.375 4.870 1.402 1.00 0.85 H new ATOM 0 HG21 ILE A 46 2.987 2.228 0.888 1.00 1.71 H new ATOM 0 HG22 ILE A 46 4.130 3.320 0.070 1.00 1.71 H new ATOM 0 HG23 ILE A 46 3.747 3.559 1.792 1.00 1.71 H new ATOM 0 HD11 ILE A 46 -0.395 2.624 2.117 1.00 1.47 H new ATOM 0 HD12 ILE A 46 -0.072 2.645 0.367 1.00 1.47 H new ATOM 0 HD13 ILE A 46 1.102 1.903 1.479 1.00 1.47 H new ATOM 732 N ALA A 47 4.698 5.408 -0.891 1.00 0.46 N ATOM 733 CA ALA A 47 6.176 5.520 -1.075 1.00 0.49 C ATOM 734 C ALA A 47 6.603 6.987 -0.949 1.00 0.51 C ATOM 735 O ALA A 47 7.621 7.292 -0.357 1.00 0.60 O ATOM 736 CB ALA A 47 6.556 4.967 -2.444 1.00 0.58 C ATOM 0 H ALA A 47 4.199 4.972 -1.667 1.00 0.46 H new ATOM 0 HA ALA A 47 6.689 4.943 -0.306 1.00 0.49 H new ATOM 0 HB1 ALA A 47 7.634 5.047 -2.582 1.00 0.58 H new ATOM 0 HB2 ALA A 47 6.258 3.920 -2.509 1.00 0.58 H new ATOM 0 HB3 ALA A 47 6.047 5.538 -3.221 1.00 0.58 H new ATOM 742 N LYS A 48 5.806 7.899 -1.457 1.00 0.53 N ATOM 743 CA LYS A 48 6.143 9.348 -1.311 1.00 0.63 C ATOM 744 C LYS A 48 5.990 9.689 0.174 1.00 0.63 C ATOM 745 O LYS A 48 6.757 10.439 0.745 1.00 0.76 O ATOM 746 CB LYS A 48 5.174 10.193 -2.143 1.00 0.70 C ATOM 747 CG LYS A 48 5.594 11.662 -2.083 1.00 1.73 C ATOM 748 CD LYS A 48 4.627 12.503 -2.918 1.00 2.16 C ATOM 749 CE LYS A 48 5.038 13.975 -2.848 1.00 3.25 C ATOM 750 NZ LYS A 48 4.861 14.475 -1.455 1.00 4.81 N ATOM 0 H LYS A 48 4.943 7.702 -1.963 1.00 0.53 H new ATOM 0 HA LYS A 48 7.155 9.554 -1.658 1.00 0.63 H new ATOM 0 HB2 LYS A 48 5.169 9.847 -3.177 1.00 0.70 H new ATOM 0 HB3 LYS A 48 4.158 10.079 -1.764 1.00 0.70 H new ATOM 0 HG2 LYS A 48 5.596 12.009 -1.050 1.00 1.73 H new ATOM 0 HG3 LYS A 48 6.611 11.776 -2.459 1.00 1.73 H new ATOM 0 HD2 LYS A 48 4.633 12.162 -3.953 1.00 2.16 H new ATOM 0 HD3 LYS A 48 3.609 12.381 -2.548 1.00 2.16 H new ATOM 0 HE2 LYS A 48 6.077 14.089 -3.157 1.00 3.25 H new ATOM 0 HE3 LYS A 48 4.434 14.565 -3.537 1.00 3.25 H new ATOM 0 HZ1 LYS A 48 4.824 15.514 -1.461 1.00 4.81 H new ATOM 0 HZ2 LYS A 48 3.975 14.099 -1.061 1.00 4.81 H new ATOM 0 HZ3 LYS A 48 5.661 14.161 -0.869 1.00 4.81 H new ATOM 764 N TYR A 49 5.017 9.080 0.804 1.00 0.61 N ATOM 765 CA TYR A 49 4.781 9.264 2.267 1.00 0.71 C ATOM 766 C TYR A 49 6.075 8.842 2.998 1.00 0.72 C ATOM 767 O TYR A 49 6.919 8.222 2.380 1.00 0.88 O ATOM 768 CB TYR A 49 3.632 8.281 2.647 1.00 1.01 C ATOM 769 CG TYR A 49 2.529 8.869 3.520 1.00 0.81 C ATOM 770 CD1 TYR A 49 2.546 10.195 3.947 1.00 1.98 C ATOM 771 CD2 TYR A 49 1.463 8.040 3.895 1.00 2.12 C ATOM 772 CE1 TYR A 49 1.516 10.693 4.743 1.00 2.20 C ATOM 773 CE2 TYR A 49 0.429 8.537 4.695 1.00 2.30 C ATOM 774 CZ TYR A 49 0.456 9.866 5.120 1.00 1.52 C ATOM 775 OH TYR A 49 -0.563 10.362 5.909 1.00 2.06 O ATOM 0 H TYR A 49 4.359 8.446 0.351 1.00 0.61 H new ATOM 0 HA TYR A 49 4.523 10.290 2.530 1.00 0.71 H new ATOM 0 HB2 TYR A 49 3.182 7.903 1.729 1.00 1.01 H new ATOM 0 HB3 TYR A 49 4.065 7.426 3.166 1.00 1.01 H new ATOM 0 HD1 TYR A 49 3.362 10.841 3.659 1.00 1.98 H new ATOM 0 HD2 TYR A 49 1.440 7.012 3.565 1.00 2.12 H new ATOM 0 HE1 TYR A 49 1.538 11.722 5.069 1.00 2.20 H new ATOM 0 HE2 TYR A 49 -0.389 7.893 4.983 1.00 2.30 H new ATOM 0 HH TYR A 49 -1.220 9.655 6.077 1.00 2.06 H new ATOM 785 N PRO A 50 6.200 9.104 4.295 1.00 0.78 N ATOM 786 CA PRO A 50 7.381 8.642 5.036 1.00 0.91 C ATOM 787 C PRO A 50 7.370 7.100 5.051 1.00 1.08 C ATOM 788 O PRO A 50 8.331 6.475 5.451 1.00 1.32 O ATOM 789 CB PRO A 50 7.222 9.209 6.453 1.00 1.05 C ATOM 790 CG PRO A 50 5.907 10.021 6.480 1.00 1.10 C ATOM 791 CD PRO A 50 5.228 9.849 5.113 1.00 0.96 C ATOM 0 HA PRO A 50 8.323 8.967 4.595 1.00 0.91 H new ATOM 0 HB2 PRO A 50 7.191 8.404 7.187 1.00 1.05 H new ATOM 0 HB3 PRO A 50 8.070 9.843 6.710 1.00 1.05 H new ATOM 0 HG2 PRO A 50 5.255 9.668 7.279 1.00 1.10 H new ATOM 0 HG3 PRO A 50 6.111 11.074 6.677 1.00 1.10 H new ATOM 0 HD2 PRO A 50 4.289 9.303 5.205 1.00 0.96 H new ATOM 0 HD3 PRO A 50 4.993 10.814 4.665 1.00 0.96 H new ATOM 799 N HIS A 51 6.262 6.492 4.628 1.00 1.06 N ATOM 800 CA HIS A 51 6.132 5.002 4.591 1.00 1.32 C ATOM 801 C HIS A 51 6.581 4.374 5.904 1.00 1.55 C ATOM 802 O HIS A 51 7.532 3.621 5.966 1.00 3.26 O ATOM 803 CB HIS A 51 6.899 4.396 3.395 1.00 1.96 C ATOM 804 CG HIS A 51 8.363 4.741 3.437 1.00 1.63 C ATOM 805 ND1 HIS A 51 9.300 3.929 4.058 1.00 2.20 N ATOM 806 CD2 HIS A 51 9.070 5.801 2.922 1.00 2.69 C ATOM 807 CE1 HIS A 51 10.505 4.508 3.904 1.00 2.76 C ATOM 808 NE2 HIS A 51 10.422 5.651 3.219 1.00 3.04 N ATOM 0 H HIS A 51 5.433 6.990 4.303 1.00 1.06 H new ATOM 0 HA HIS A 51 5.075 4.772 4.456 1.00 1.32 H new ATOM 0 HB2 HIS A 51 6.781 3.312 3.399 1.00 1.96 H new ATOM 0 HB3 HIS A 51 6.466 4.761 2.463 1.00 1.96 H new ATOM 0 HD1 HIS A 51 9.110 3.052 4.543 1.00 2.20 H new ATOM 0 HD2 HIS A 51 8.642 6.625 2.371 1.00 2.69 H new ATOM 0 HE1 HIS A 51 11.427 4.098 4.288 1.00 2.76 H new ATOM 816 N LYS A 52 5.861 4.667 6.947 1.00 1.23 N ATOM 817 CA LYS A 52 6.170 4.092 8.276 1.00 1.33 C ATOM 818 C LYS A 52 5.107 4.575 9.256 1.00 1.22 C ATOM 819 O LYS A 52 5.081 5.731 9.637 1.00 2.06 O ATOM 820 CB LYS A 52 7.558 4.543 8.739 1.00 1.77 C ATOM 821 CG LYS A 52 8.017 3.672 9.912 1.00 1.95 C ATOM 822 CD LYS A 52 7.697 4.375 11.235 1.00 2.32 C ATOM 823 CE LYS A 52 8.944 5.100 11.751 1.00 3.33 C ATOM 824 NZ LYS A 52 8.866 6.544 11.394 1.00 4.44 N ATOM 0 H LYS A 52 5.056 5.293 6.931 1.00 1.23 H new ATOM 0 HA LYS A 52 6.169 3.003 8.224 1.00 1.33 H new ATOM 0 HB2 LYS A 52 8.269 4.467 7.916 1.00 1.77 H new ATOM 0 HB3 LYS A 52 7.529 5.590 9.040 1.00 1.77 H new ATOM 0 HG2 LYS A 52 7.519 2.703 9.874 1.00 1.95 H new ATOM 0 HG3 LYS A 52 9.088 3.483 9.840 1.00 1.95 H new ATOM 0 HD2 LYS A 52 6.884 5.087 11.092 1.00 2.32 H new ATOM 0 HD3 LYS A 52 7.357 3.647 11.972 1.00 2.32 H new ATOM 0 HE2 LYS A 52 9.022 4.986 12.832 1.00 3.33 H new ATOM 0 HE3 LYS A 52 9.840 4.656 11.318 1.00 3.33 H new ATOM 0 HZ1 LYS A 52 9.679 7.047 11.803 1.00 4.44 H new ATOM 0 HZ2 LYS A 52 8.880 6.647 10.359 1.00 4.44 H new ATOM 0 HZ3 LYS A 52 7.984 6.947 11.770 1.00 4.44 H new ATOM 838 N ILE A 53 4.215 3.704 9.642 1.00 1.17 N ATOM 839 CA ILE A 53 3.125 4.111 10.573 1.00 1.42 C ATOM 840 C ILE A 53 2.947 3.059 11.671 1.00 1.62 C ATOM 841 O ILE A 53 3.195 1.886 11.466 1.00 1.86 O ATOM 842 CB ILE A 53 1.820 4.254 9.778 1.00 1.50 C ATOM 843 CG1 ILE A 53 1.487 2.926 9.089 1.00 1.95 C ATOM 844 CG2 ILE A 53 1.985 5.342 8.712 1.00 1.66 C ATOM 845 CD1 ILE A 53 0.094 3.009 8.462 1.00 2.25 C ATOM 0 H ILE A 53 4.194 2.726 9.352 1.00 1.17 H new ATOM 0 HA ILE A 53 3.383 5.062 11.040 1.00 1.42 H new ATOM 0 HB ILE A 53 1.014 4.525 10.460 1.00 1.50 H new ATOM 0 HG12 ILE A 53 2.230 2.706 8.322 1.00 1.95 H new ATOM 0 HG13 ILE A 53 1.524 2.111 9.811 1.00 1.95 H new ATOM 0 HG21 ILE A 53 1.058 5.443 8.148 1.00 1.66 H new ATOM 0 HG22 ILE A 53 2.221 6.291 9.194 1.00 1.66 H new ATOM 0 HG23 ILE A 53 2.794 5.068 8.034 1.00 1.66 H new ATOM 0 HD11 ILE A 53 -0.142 2.064 7.972 1.00 2.25 H new ATOM 0 HD12 ILE A 53 -0.644 3.209 9.239 1.00 2.25 H new ATOM 0 HD13 ILE A 53 0.073 3.814 7.727 1.00 2.25 H new ATOM 857 N LYS A 54 2.504 3.476 12.829 1.00 1.77 N ATOM 858 CA LYS A 54 2.288 2.512 13.946 1.00 2.06 C ATOM 859 C LYS A 54 0.853 1.979 13.879 1.00 2.14 C ATOM 860 O LYS A 54 0.574 0.872 14.298 1.00 2.62 O ATOM 861 CB LYS A 54 2.516 3.216 15.287 1.00 2.42 C ATOM 862 CG LYS A 54 1.648 4.474 15.367 1.00 2.62 C ATOM 863 CD LYS A 54 1.579 4.955 16.817 1.00 3.19 C ATOM 864 CE LYS A 54 0.874 6.312 16.872 1.00 4.30 C ATOM 865 NZ LYS A 54 1.860 7.396 16.600 1.00 4.69 N ATOM 0 H LYS A 54 2.282 4.447 13.049 1.00 1.77 H new ATOM 0 HA LYS A 54 2.990 1.683 13.856 1.00 2.06 H new ATOM 0 HB2 LYS A 54 2.272 2.542 16.108 1.00 2.42 H new ATOM 0 HB3 LYS A 54 3.568 3.481 15.395 1.00 2.42 H new ATOM 0 HG2 LYS A 54 2.064 5.257 14.733 1.00 2.62 H new ATOM 0 HG3 LYS A 54 0.646 4.261 14.995 1.00 2.62 H new ATOM 0 HD2 LYS A 54 1.041 4.229 17.427 1.00 3.19 H new ATOM 0 HD3 LYS A 54 2.584 5.038 17.232 1.00 3.19 H new ATOM 0 HE2 LYS A 54 0.069 6.346 16.138 1.00 4.30 H new ATOM 0 HE3 LYS A 54 0.418 6.458 17.851 1.00 4.30 H new ATOM 0 HZ1 LYS A 54 1.381 8.318 16.637 1.00 4.69 H new ATOM 0 HZ2 LYS A 54 2.613 7.368 17.316 1.00 4.69 H new ATOM 0 HZ3 LYS A 54 2.275 7.259 15.656 1.00 4.69 H new ATOM 879 N SER A 55 -0.055 2.761 13.349 1.00 1.96 N ATOM 880 CA SER A 55 -1.474 2.312 13.244 1.00 2.15 C ATOM 881 C SER A 55 -1.922 2.397 11.781 1.00 1.76 C ATOM 882 O SER A 55 -1.108 2.503 10.883 1.00 2.47 O ATOM 883 CB SER A 55 -2.359 3.214 14.106 1.00 2.54 C ATOM 884 OG SER A 55 -1.775 3.349 15.395 1.00 3.56 O ATOM 0 H SER A 55 0.129 3.695 12.983 1.00 1.96 H new ATOM 0 HA SER A 55 -1.561 1.283 13.593 1.00 2.15 H new ATOM 0 HB2 SER A 55 -2.466 4.193 13.638 1.00 2.54 H new ATOM 0 HB3 SER A 55 -3.359 2.789 14.190 1.00 2.54 H new ATOM 0 HG SER A 55 -2.338 3.928 15.950 1.00 3.56 H new ATOM 890 N GLY A 56 -3.208 2.350 11.537 1.00 1.49 N ATOM 891 CA GLY A 56 -3.712 2.428 10.133 1.00 1.30 C ATOM 892 C GLY A 56 -4.465 3.744 9.929 1.00 1.08 C ATOM 893 O GLY A 56 -5.425 3.809 9.184 1.00 1.27 O ATOM 0 H GLY A 56 -3.931 2.261 12.251 1.00 1.49 H new ATOM 0 HA2 GLY A 56 -2.879 2.362 9.433 1.00 1.30 H new ATOM 0 HA3 GLY A 56 -4.371 1.585 9.925 1.00 1.30 H new ATOM 897 N ALA A 57 -4.036 4.792 10.585 1.00 1.44 N ATOM 898 CA ALA A 57 -4.721 6.110 10.435 1.00 1.63 C ATOM 899 C ALA A 57 -4.079 6.895 9.288 1.00 1.37 C ATOM 900 O ALA A 57 -4.748 7.608 8.564 1.00 1.32 O ATOM 901 CB ALA A 57 -4.584 6.905 11.735 1.00 2.23 C ATOM 0 H ALA A 57 -3.238 4.791 11.220 1.00 1.44 H new ATOM 0 HA ALA A 57 -5.776 5.947 10.216 1.00 1.63 H new ATOM 0 HB1 ALA A 57 -5.084 7.868 11.627 1.00 2.23 H new ATOM 0 HB2 ALA A 57 -5.042 6.348 12.552 1.00 2.23 H new ATOM 0 HB3 ALA A 57 -3.528 7.067 11.953 1.00 2.23 H new ATOM 907 N GLU A 58 -2.787 6.769 9.123 1.00 1.30 N ATOM 908 CA GLU A 58 -2.090 7.508 8.027 1.00 1.16 C ATOM 909 C GLU A 58 -2.627 7.044 6.671 1.00 0.85 C ATOM 910 O GLU A 58 -2.852 7.841 5.779 1.00 0.73 O ATOM 911 CB GLU A 58 -0.586 7.231 8.104 1.00 1.32 C ATOM 912 CG GLU A 58 0.101 8.349 8.891 1.00 2.06 C ATOM 913 CD GLU A 58 0.163 7.968 10.372 1.00 2.13 C ATOM 914 OE1 GLU A 58 -0.826 7.461 10.875 1.00 2.84 O ATOM 915 OE2 GLU A 58 1.199 8.189 10.977 1.00 3.12 O ATOM 0 H GLU A 58 -2.183 6.185 9.701 1.00 1.30 H new ATOM 0 HA GLU A 58 -2.270 8.577 8.139 1.00 1.16 H new ATOM 0 HB2 GLU A 58 -0.407 6.270 8.586 1.00 1.32 H new ATOM 0 HB3 GLU A 58 -0.166 7.167 7.100 1.00 1.32 H new ATOM 0 HG2 GLU A 58 1.107 8.515 8.505 1.00 2.06 H new ATOM 0 HG3 GLU A 58 -0.446 9.284 8.768 1.00 2.06 H new ATOM 922 N ALA A 59 -2.833 5.760 6.511 1.00 0.82 N ATOM 923 CA ALA A 59 -3.355 5.235 5.213 1.00 0.69 C ATOM 924 C ALA A 59 -4.736 5.835 4.936 1.00 0.79 C ATOM 925 O ALA A 59 -5.085 6.112 3.804 1.00 0.88 O ATOM 926 CB ALA A 59 -3.467 3.711 5.289 1.00 0.86 C ATOM 0 H ALA A 59 -2.662 5.052 7.225 1.00 0.82 H new ATOM 0 HA ALA A 59 -2.673 5.511 4.409 1.00 0.69 H new ATOM 0 HB1 ALA A 59 -3.848 3.327 4.343 1.00 0.86 H new ATOM 0 HB2 ALA A 59 -2.484 3.283 5.485 1.00 0.86 H new ATOM 0 HB3 ALA A 59 -4.149 3.436 6.093 1.00 0.86 H new ATOM 932 N LYS A 60 -5.520 6.041 5.965 1.00 0.96 N ATOM 933 CA LYS A 60 -6.878 6.628 5.771 1.00 1.20 C ATOM 934 C LYS A 60 -6.742 8.046 5.215 1.00 1.10 C ATOM 935 O LYS A 60 -7.559 8.498 4.435 1.00 1.27 O ATOM 936 CB LYS A 60 -7.611 6.673 7.114 1.00 1.54 C ATOM 937 CG LYS A 60 -9.110 6.462 6.886 1.00 1.78 C ATOM 938 CD LYS A 60 -9.377 4.988 6.575 1.00 1.84 C ATOM 939 CE LYS A 60 -10.840 4.809 6.167 1.00 2.34 C ATOM 940 NZ LYS A 60 -10.953 3.675 5.206 1.00 3.65 N ATOM 0 H LYS A 60 -5.276 5.827 6.932 1.00 0.96 H new ATOM 0 HA LYS A 60 -7.444 6.015 5.070 1.00 1.20 H new ATOM 0 HB2 LYS A 60 -7.222 5.902 7.779 1.00 1.54 H new ATOM 0 HB3 LYS A 60 -7.438 7.632 7.603 1.00 1.54 H new ATOM 0 HG2 LYS A 60 -9.669 6.765 7.771 1.00 1.78 H new ATOM 0 HG3 LYS A 60 -9.455 7.087 6.062 1.00 1.78 H new ATOM 0 HD2 LYS A 60 -8.721 4.650 5.773 1.00 1.84 H new ATOM 0 HD3 LYS A 60 -9.154 4.375 7.448 1.00 1.84 H new ATOM 0 HE2 LYS A 60 -11.453 4.616 7.047 1.00 2.34 H new ATOM 0 HE3 LYS A 60 -11.216 5.725 5.711 1.00 2.34 H new ATOM 0 HZ1 LYS A 60 -11.948 3.553 4.928 1.00 3.65 H new ATOM 0 HZ2 LYS A 60 -10.380 3.877 4.362 1.00 3.65 H new ATOM 0 HZ3 LYS A 60 -10.610 2.803 5.657 1.00 3.65 H new ATOM 954 N LYS A 61 -5.710 8.748 5.611 1.00 1.00 N ATOM 955 CA LYS A 61 -5.505 10.139 5.111 1.00 1.06 C ATOM 956 C LYS A 61 -5.151 10.099 3.621 1.00 0.82 C ATOM 957 O LYS A 61 -5.434 11.025 2.886 1.00 0.94 O ATOM 958 CB LYS A 61 -4.363 10.797 5.894 1.00 1.30 C ATOM 959 CG LYS A 61 -4.190 12.249 5.436 1.00 1.68 C ATOM 960 CD LYS A 61 -3.434 13.038 6.508 1.00 1.87 C ATOM 961 CE LYS A 61 -2.522 14.070 5.838 1.00 2.59 C ATOM 962 NZ LYS A 61 -2.497 15.315 6.656 1.00 3.19 N ATOM 0 H LYS A 61 -4.999 8.415 6.262 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.419 10.716 5.249 1.00 1.06 H new ATOM 0 HB2 LYS A 61 -4.577 10.766 6.962 1.00 1.30 H new ATOM 0 HB3 LYS A 61 -3.437 10.244 5.738 1.00 1.30 H new ATOM 0 HG2 LYS A 61 -3.644 12.281 4.493 1.00 1.68 H new ATOM 0 HG3 LYS A 61 -5.164 12.703 5.255 1.00 1.68 H new ATOM 0 HD2 LYS A 61 -4.140 13.538 7.172 1.00 1.87 H new ATOM 0 HD3 LYS A 61 -2.843 12.360 7.124 1.00 1.87 H new ATOM 0 HE2 LYS A 61 -1.514 13.669 5.736 1.00 2.59 H new ATOM 0 HE3 LYS A 61 -2.881 14.290 4.832 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 -1.878 16.016 6.202 1.00 3.19 H new ATOM 0 HZ2 LYS A 61 -3.460 15.700 6.731 1.00 3.19 H new ATOM 0 HZ3 LYS A 61 -2.136 15.098 7.607 1.00 3.19 H new ATOM 976 N LEU A 62 -4.531 9.035 3.175 1.00 0.69 N ATOM 977 CA LEU A 62 -4.153 8.932 1.732 1.00 0.87 C ATOM 978 C LEU A 62 -5.393 8.516 0.910 1.00 1.25 C ATOM 979 O LEU A 62 -5.884 7.420 1.090 1.00 1.52 O ATOM 980 CB LEU A 62 -3.060 7.869 1.554 1.00 0.88 C ATOM 981 CG LEU A 62 -1.950 8.056 2.598 1.00 0.89 C ATOM 982 CD1 LEU A 62 -0.898 6.956 2.418 1.00 1.18 C ATOM 983 CD2 LEU A 62 -1.291 9.436 2.427 1.00 1.05 C ATOM 0 H LEU A 62 -4.270 8.233 3.748 1.00 0.69 H new ATOM 0 HA LEU A 62 -3.782 9.898 1.389 1.00 0.87 H new ATOM 0 HB2 LEU A 62 -3.494 6.874 1.651 1.00 0.88 H new ATOM 0 HB3 LEU A 62 -2.639 7.937 0.551 1.00 0.88 H new ATOM 0 HG LEU A 62 -2.381 7.993 3.597 1.00 0.89 H new ATOM 0 HD11 LEU A 62 -0.107 7.084 3.157 1.00 1.18 H new ATOM 0 HD12 LEU A 62 -1.365 5.980 2.552 1.00 1.18 H new ATOM 0 HD13 LEU A 62 -0.472 7.020 1.417 1.00 1.18 H new ATOM 0 HD21 LEU A 62 -0.505 9.559 3.172 1.00 1.05 H new ATOM 0 HD22 LEU A 62 -0.860 9.512 1.429 1.00 1.05 H new ATOM 0 HD23 LEU A 62 -2.041 10.216 2.559 1.00 1.05 H new ATOM 995 N PRO A 63 -5.881 9.381 0.029 1.00 1.54 N ATOM 996 CA PRO A 63 -7.064 9.048 -0.789 1.00 2.03 C ATOM 997 C PRO A 63 -6.765 7.846 -1.692 1.00 2.17 C ATOM 998 O PRO A 63 -7.653 7.099 -2.058 1.00 3.68 O ATOM 999 CB PRO A 63 -7.335 10.304 -1.632 1.00 2.38 C ATOM 1000 CG PRO A 63 -6.240 11.346 -1.294 1.00 2.25 C ATOM 1001 CD PRO A 63 -5.322 10.730 -0.229 1.00 1.70 C ATOM 0 HA PRO A 63 -7.924 8.777 -0.177 1.00 2.03 H new ATOM 0 HB2 PRO A 63 -7.317 10.062 -2.695 1.00 2.38 H new ATOM 0 HB3 PRO A 63 -8.325 10.705 -1.413 1.00 2.38 H new ATOM 0 HG2 PRO A 63 -5.670 11.605 -2.186 1.00 2.25 H new ATOM 0 HG3 PRO A 63 -6.690 12.267 -0.924 1.00 2.25 H new ATOM 0 HD2 PRO A 63 -4.293 10.669 -0.583 1.00 1.70 H new ATOM 0 HD3 PRO A 63 -5.312 11.333 0.679 1.00 1.70 H new ATOM 1009 N GLY A 64 -5.521 7.661 -2.056 1.00 1.54 N ATOM 1010 CA GLY A 64 -5.155 6.515 -2.941 1.00 1.85 C ATOM 1011 C GLY A 64 -5.229 5.204 -2.154 1.00 1.67 C ATOM 1012 O GLY A 64 -5.718 4.205 -2.647 1.00 1.90 O ATOM 0 H GLY A 64 -4.741 8.257 -1.777 1.00 1.54 H new ATOM 0 HA2 GLY A 64 -5.830 6.475 -3.796 1.00 1.85 H new ATOM 0 HA3 GLY A 64 -4.149 6.656 -3.336 1.00 1.85 H new ATOM 1016 N VAL A 65 -4.744 5.200 -0.938 1.00 1.59 N ATOM 1017 CA VAL A 65 -4.779 3.948 -0.116 1.00 1.70 C ATOM 1018 C VAL A 65 -6.031 3.966 0.764 1.00 1.77 C ATOM 1019 O VAL A 65 -6.237 4.879 1.541 1.00 2.32 O ATOM 1020 CB VAL A 65 -3.532 3.837 0.790 1.00 1.83 C ATOM 1021 CG1 VAL A 65 -3.145 2.364 0.933 1.00 2.01 C ATOM 1022 CG2 VAL A 65 -2.340 4.599 0.193 1.00 1.97 C ATOM 0 H VAL A 65 -4.325 6.008 -0.478 1.00 1.59 H new ATOM 0 HA VAL A 65 -4.792 3.093 -0.792 1.00 1.70 H new ATOM 0 HB VAL A 65 -3.776 4.271 1.759 1.00 1.83 H new ATOM 0 HG11 VAL A 65 -2.266 2.279 1.571 1.00 2.01 H new ATOM 0 HG12 VAL A 65 -3.972 1.812 1.380 1.00 2.01 H new ATOM 0 HG13 VAL A 65 -2.921 1.950 -0.050 1.00 2.01 H new ATOM 0 HG21 VAL A 65 -1.478 4.502 0.854 1.00 1.97 H new ATOM 0 HG22 VAL A 65 -2.096 4.184 -0.785 1.00 1.97 H new ATOM 0 HG23 VAL A 65 -2.598 5.653 0.086 1.00 1.97 H new ATOM 1032 N GLY A 66 -6.867 2.964 0.649 1.00 1.67 N ATOM 1033 CA GLY A 66 -8.107 2.922 1.482 1.00 1.94 C ATOM 1034 C GLY A 66 -9.171 2.051 0.806 1.00 1.48 C ATOM 1035 O GLY A 66 -10.051 1.524 1.460 1.00 2.50 O ATOM 0 H GLY A 66 -6.744 2.175 0.015 1.00 1.67 H new ATOM 0 HA2 GLY A 66 -7.876 2.525 2.471 1.00 1.94 H new ATOM 0 HA3 GLY A 66 -8.491 3.932 1.626 1.00 1.94 H new ATOM 1039 N THR A 67 -9.104 1.902 -0.495 1.00 1.99 N ATOM 1040 CA THR A 67 -10.118 1.069 -1.209 1.00 2.85 C ATOM 1041 C THR A 67 -9.686 -0.401 -1.191 1.00 2.59 C ATOM 1042 O THR A 67 -9.235 -0.939 -2.184 1.00 3.98 O ATOM 1043 CB THR A 67 -10.245 1.553 -2.657 1.00 4.08 C ATOM 1044 OG1 THR A 67 -9.957 2.943 -2.718 1.00 4.35 O ATOM 1045 CG2 THR A 67 -11.669 1.302 -3.157 1.00 4.84 C ATOM 0 H THR A 67 -8.391 2.322 -1.092 1.00 1.99 H new ATOM 0 HA THR A 67 -11.082 1.163 -0.709 1.00 2.85 H new ATOM 0 HB THR A 67 -9.540 1.009 -3.286 1.00 4.08 H new ATOM 0 HG1 THR A 67 -10.036 3.253 -3.644 1.00 4.35 H new ATOM 0 HG21 THR A 67 -11.759 1.647 -4.187 1.00 4.84 H new ATOM 0 HG22 THR A 67 -11.888 0.235 -3.111 1.00 4.84 H new ATOM 0 HG23 THR A 67 -12.376 1.845 -2.530 1.00 4.84 H new ATOM 1053 N LYS A 68 -9.821 -1.053 -0.054 1.00 1.39 N ATOM 1054 CA LYS A 68 -9.430 -2.502 0.083 1.00 1.12 C ATOM 1055 C LYS A 68 -7.902 -2.665 0.194 1.00 1.02 C ATOM 1056 O LYS A 68 -7.420 -3.747 0.473 1.00 1.39 O ATOM 1057 CB LYS A 68 -9.943 -3.321 -1.112 1.00 1.40 C ATOM 1058 CG LYS A 68 -10.328 -4.730 -0.645 1.00 1.91 C ATOM 1059 CD LYS A 68 -11.848 -4.825 -0.488 1.00 2.33 C ATOM 1060 CE LYS A 68 -12.463 -5.353 -1.785 1.00 3.07 C ATOM 1061 NZ LYS A 68 -13.792 -5.960 -1.493 1.00 4.23 N ATOM 0 H LYS A 68 -10.192 -0.636 0.800 1.00 1.39 H new ATOM 0 HA LYS A 68 -9.889 -2.873 0.999 1.00 1.12 H new ATOM 0 HB2 LYS A 68 -10.805 -2.828 -1.560 1.00 1.40 H new ATOM 0 HB3 LYS A 68 -9.174 -3.380 -1.882 1.00 1.40 H new ATOM 0 HG2 LYS A 68 -9.980 -5.470 -1.366 1.00 1.91 H new ATOM 0 HG3 LYS A 68 -9.840 -4.955 0.303 1.00 1.91 H new ATOM 0 HD2 LYS A 68 -12.098 -5.487 0.341 1.00 2.33 H new ATOM 0 HD3 LYS A 68 -12.262 -3.845 -0.250 1.00 2.33 H new ATOM 0 HE2 LYS A 68 -12.572 -4.542 -2.505 1.00 3.07 H new ATOM 0 HE3 LYS A 68 -11.804 -6.094 -2.237 1.00 3.07 H new ATOM 0 HZ1 LYS A 68 -14.211 -6.319 -2.375 1.00 4.23 H new ATOM 0 HZ2 LYS A 68 -13.675 -6.745 -0.820 1.00 4.23 H new ATOM 0 HZ3 LYS A 68 -14.419 -5.240 -1.080 1.00 4.23 H new ATOM 1075 N ILE A 69 -7.135 -1.618 -0.011 1.00 0.76 N ATOM 1076 CA ILE A 69 -5.651 -1.740 0.097 1.00 0.65 C ATOM 1077 C ILE A 69 -5.217 -1.421 1.530 1.00 0.58 C ATOM 1078 O ILE A 69 -4.197 -1.890 1.997 1.00 0.61 O ATOM 1079 CB ILE A 69 -4.984 -0.759 -0.870 1.00 0.63 C ATOM 1080 CG1 ILE A 69 -5.545 -0.965 -2.288 1.00 0.83 C ATOM 1081 CG2 ILE A 69 -3.472 -1.000 -0.875 1.00 0.73 C ATOM 1082 CD1 ILE A 69 -5.865 0.393 -2.915 1.00 2.44 C ATOM 0 H ILE A 69 -7.476 -0.686 -0.248 1.00 0.76 H new ATOM 0 HA ILE A 69 -5.351 -2.757 -0.156 1.00 0.65 H new ATOM 0 HB ILE A 69 -5.189 0.262 -0.549 1.00 0.63 H new ATOM 0 HG12 ILE A 69 -4.820 -1.499 -2.903 1.00 0.83 H new ATOM 0 HG13 ILE A 69 -6.444 -1.580 -2.249 1.00 0.83 H new ATOM 0 HG21 ILE A 69 -2.995 -0.302 -1.563 1.00 0.73 H new ATOM 0 HG22 ILE A 69 -3.076 -0.848 0.129 1.00 0.73 H new ATOM 0 HG23 ILE A 69 -3.267 -2.022 -1.194 1.00 0.73 H new ATOM 0 HD11 ILE A 69 -6.262 0.246 -3.919 1.00 2.44 H new ATOM 0 HD12 ILE A 69 -6.605 0.910 -2.304 1.00 2.44 H new ATOM 0 HD13 ILE A 69 -4.956 0.992 -2.969 1.00 2.44 H new ATOM 1094 N ALA A 70 -5.986 -0.620 2.231 1.00 0.59 N ATOM 1095 CA ALA A 70 -5.629 -0.256 3.637 1.00 0.66 C ATOM 1096 C ALA A 70 -5.475 -1.524 4.485 1.00 0.72 C ATOM 1097 O ALA A 70 -4.730 -1.547 5.447 1.00 0.77 O ATOM 1098 CB ALA A 70 -6.737 0.619 4.227 1.00 0.78 C ATOM 0 H ALA A 70 -6.850 -0.202 1.886 1.00 0.59 H new ATOM 0 HA ALA A 70 -4.685 0.290 3.639 1.00 0.66 H new ATOM 0 HB1 ALA A 70 -6.482 0.887 5.252 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -6.842 1.525 3.630 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -7.678 0.069 4.220 1.00 0.78 H new ATOM 1104 N GLU A 71 -6.169 -2.576 4.130 1.00 0.80 N ATOM 1105 CA GLU A 71 -6.062 -3.846 4.908 1.00 0.94 C ATOM 1106 C GLU A 71 -4.629 -4.374 4.815 1.00 0.81 C ATOM 1107 O GLU A 71 -4.064 -4.835 5.789 1.00 0.82 O ATOM 1108 CB GLU A 71 -7.028 -4.882 4.332 1.00 1.14 C ATOM 1109 CG GLU A 71 -7.540 -5.784 5.457 1.00 1.66 C ATOM 1110 CD GLU A 71 -8.550 -5.014 6.309 1.00 1.81 C ATOM 1111 OE1 GLU A 71 -9.300 -4.235 5.745 1.00 2.81 O ATOM 1112 OE2 GLU A 71 -8.557 -5.217 7.512 1.00 2.84 O ATOM 0 H GLU A 71 -6.806 -2.609 3.334 1.00 0.80 H new ATOM 0 HA GLU A 71 -6.316 -3.659 5.951 1.00 0.94 H new ATOM 0 HB2 GLU A 71 -7.864 -4.383 3.843 1.00 1.14 H new ATOM 0 HB3 GLU A 71 -6.525 -5.480 3.572 1.00 1.14 H new ATOM 0 HG2 GLU A 71 -8.006 -6.676 5.039 1.00 1.66 H new ATOM 0 HG3 GLU A 71 -6.708 -6.120 6.076 1.00 1.66 H new ATOM 1119 N LYS A 72 -4.040 -4.302 3.648 1.00 0.75 N ATOM 1120 CA LYS A 72 -2.640 -4.789 3.479 1.00 0.72 C ATOM 1121 C LYS A 72 -1.689 -3.844 4.216 1.00 0.63 C ATOM 1122 O LYS A 72 -0.700 -4.264 4.787 1.00 0.66 O ATOM 1123 CB LYS A 72 -2.285 -4.815 1.991 1.00 0.79 C ATOM 1124 CG LYS A 72 -2.723 -6.150 1.385 1.00 1.18 C ATOM 1125 CD LYS A 72 -1.553 -7.135 1.419 1.00 1.87 C ATOM 1126 CE LYS A 72 -2.090 -8.565 1.495 1.00 2.29 C ATOM 1127 NZ LYS A 72 -0.978 -9.497 1.832 1.00 3.44 N ATOM 0 H LYS A 72 -4.471 -3.926 2.804 1.00 0.75 H new ATOM 0 HA LYS A 72 -2.548 -5.795 3.889 1.00 0.72 H new ATOM 0 HB2 LYS A 72 -2.776 -3.990 1.475 1.00 0.79 H new ATOM 0 HB3 LYS A 72 -1.212 -4.679 1.860 1.00 0.79 H new ATOM 0 HG2 LYS A 72 -3.569 -6.554 1.942 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -3.058 -6.003 0.358 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -0.936 -7.014 0.528 1.00 1.87 H new ATOM 0 HD3 LYS A 72 -0.915 -6.929 2.279 1.00 1.87 H new ATOM 0 HE2 LYS A 72 -2.874 -8.630 2.249 1.00 2.29 H new ATOM 0 HE3 LYS A 72 -2.539 -8.847 0.543 1.00 2.29 H new ATOM 0 HZ1 LYS A 72 -1.344 -10.469 1.884 1.00 3.44 H new ATOM 0 HZ2 LYS A 72 -0.244 -9.442 1.097 1.00 3.44 H new ATOM 0 HZ3 LYS A 72 -0.569 -9.232 2.751 1.00 3.44 H new ATOM 1141 N ILE A 73 -1.991 -2.569 4.217 1.00 0.60 N ATOM 1142 CA ILE A 73 -1.116 -1.583 4.924 1.00 0.62 C ATOM 1143 C ILE A 73 -1.036 -1.951 6.409 1.00 0.60 C ATOM 1144 O ILE A 73 -0.052 -1.684 7.071 1.00 0.70 O ATOM 1145 CB ILE A 73 -1.698 -0.170 4.771 1.00 0.74 C ATOM 1146 CG1 ILE A 73 -1.925 0.155 3.284 1.00 0.91 C ATOM 1147 CG2 ILE A 73 -0.726 0.850 5.367 1.00 0.83 C ATOM 1148 CD1 ILE A 73 -0.608 0.043 2.505 1.00 0.85 C ATOM 0 H ILE A 73 -2.808 -2.168 3.757 1.00 0.60 H new ATOM 0 HA ILE A 73 -0.117 -1.606 4.489 1.00 0.62 H new ATOM 0 HB ILE A 73 -2.652 -0.124 5.296 1.00 0.74 H new ATOM 0 HG12 ILE A 73 -2.663 -0.529 2.864 1.00 0.91 H new ATOM 0 HG13 ILE A 73 -2.330 1.162 3.183 1.00 0.91 H new ATOM 0 HG21 ILE A 73 -1.139 1.853 5.258 1.00 0.83 H new ATOM 0 HG22 ILE A 73 -0.574 0.633 6.424 1.00 0.83 H new ATOM 0 HG23 ILE A 73 0.228 0.792 4.844 1.00 0.83 H new ATOM 0 HD11 ILE A 73 -0.785 0.276 1.455 1.00 0.85 H new ATOM 0 HD12 ILE A 73 0.118 0.745 2.915 1.00 0.85 H new ATOM 0 HD13 ILE A 73 -0.220 -0.972 2.591 1.00 0.85 H new ATOM 1160 N ASP A 74 -2.061 -2.580 6.927 1.00 0.73 N ATOM 1161 CA ASP A 74 -2.050 -2.991 8.359 1.00 0.83 C ATOM 1162 C ASP A 74 -1.381 -4.365 8.483 1.00 0.87 C ATOM 1163 O ASP A 74 -0.847 -4.712 9.519 1.00 0.97 O ATOM 1164 CB ASP A 74 -3.487 -3.074 8.878 1.00 0.95 C ATOM 1165 CG ASP A 74 -3.515 -2.719 10.366 1.00 1.61 C ATOM 1166 OD1 ASP A 74 -2.984 -1.678 10.716 1.00 2.11 O ATOM 1167 OD2 ASP A 74 -4.067 -3.494 11.129 1.00 2.88 O ATOM 0 H ASP A 74 -2.908 -2.826 6.415 1.00 0.73 H new ATOM 0 HA ASP A 74 -1.496 -2.259 8.946 1.00 0.83 H new ATOM 0 HB2 ASP A 74 -4.127 -2.391 8.319 1.00 0.95 H new ATOM 0 HB3 ASP A 74 -3.882 -4.078 8.726 1.00 0.95 H new ATOM 1172 N GLU A 75 -1.408 -5.151 7.431 1.00 0.86 N ATOM 1173 CA GLU A 75 -0.779 -6.505 7.474 1.00 0.98 C ATOM 1174 C GLU A 75 0.712 -6.382 7.809 1.00 0.96 C ATOM 1175 O GLU A 75 1.248 -7.171 8.565 1.00 1.08 O ATOM 1176 CB GLU A 75 -0.938 -7.183 6.112 1.00 1.06 C ATOM 1177 CG GLU A 75 -0.874 -8.702 6.285 1.00 1.55 C ATOM 1178 CD GLU A 75 -2.228 -9.218 6.776 1.00 1.74 C ATOM 1179 OE1 GLU A 75 -3.215 -8.966 6.104 1.00 2.56 O ATOM 1180 OE2 GLU A 75 -2.255 -9.856 7.815 1.00 2.77 O ATOM 0 H GLU A 75 -1.842 -4.908 6.541 1.00 0.86 H new ATOM 0 HA GLU A 75 -1.270 -7.101 8.243 1.00 0.98 H new ATOM 0 HB2 GLU A 75 -1.889 -6.898 5.661 1.00 1.06 H new ATOM 0 HB3 GLU A 75 -0.151 -6.850 5.435 1.00 1.06 H new ATOM 0 HG2 GLU A 75 -0.614 -9.176 5.338 1.00 1.55 H new ATOM 0 HG3 GLU A 75 -0.093 -8.965 6.998 1.00 1.55 H new ATOM 1187 N PHE A 76 1.383 -5.396 7.261 1.00 0.87 N ATOM 1188 CA PHE A 76 2.845 -5.229 7.567 1.00 0.95 C ATOM 1189 C PHE A 76 2.970 -4.386 8.833 1.00 0.95 C ATOM 1190 O PHE A 76 3.864 -4.570 9.638 1.00 1.07 O ATOM 1191 CB PHE A 76 3.629 -4.503 6.433 1.00 1.18 C ATOM 1192 CG PHE A 76 2.801 -4.282 5.188 1.00 0.96 C ATOM 1193 CD1 PHE A 76 2.217 -5.361 4.521 1.00 2.20 C ATOM 1194 CD2 PHE A 76 2.626 -2.980 4.705 1.00 1.88 C ATOM 1195 CE1 PHE A 76 1.457 -5.137 3.368 1.00 2.32 C ATOM 1196 CE2 PHE A 76 1.867 -2.754 3.556 1.00 2.30 C ATOM 1197 CZ PHE A 76 1.281 -3.834 2.885 1.00 1.79 C ATOM 0 H PHE A 76 0.989 -4.706 6.622 1.00 0.87 H new ATOM 0 HA PHE A 76 3.271 -6.226 7.679 1.00 0.95 H new ATOM 0 HB2 PHE A 76 3.983 -3.540 6.803 1.00 1.18 H new ATOM 0 HB3 PHE A 76 4.511 -5.090 6.176 1.00 1.18 H new ATOM 0 HD1 PHE A 76 2.352 -6.365 4.894 1.00 2.20 H new ATOM 0 HD2 PHE A 76 3.080 -2.148 5.223 1.00 1.88 H new ATOM 0 HE1 PHE A 76 1.005 -5.970 2.850 1.00 2.32 H new ATOM 0 HE2 PHE A 76 1.732 -1.749 3.185 1.00 2.30 H new ATOM 0 HZ PHE A 76 0.693 -3.663 1.995 1.00 1.79 H new ATOM 1207 N LEU A 77 2.090 -3.437 8.984 1.00 1.02 N ATOM 1208 CA LEU A 77 2.138 -2.527 10.160 1.00 1.27 C ATOM 1209 C LEU A 77 1.284 -3.081 11.311 1.00 1.29 C ATOM 1210 O LEU A 77 0.891 -2.348 12.199 1.00 1.71 O ATOM 1211 CB LEU A 77 1.604 -1.154 9.730 1.00 1.53 C ATOM 1212 CG LEU A 77 2.655 -0.400 8.892 1.00 1.31 C ATOM 1213 CD1 LEU A 77 3.913 -0.165 9.733 1.00 1.84 C ATOM 1214 CD2 LEU A 77 3.029 -1.203 7.641 1.00 2.77 C ATOM 0 H LEU A 77 1.328 -3.251 8.332 1.00 1.02 H new ATOM 0 HA LEU A 77 3.166 -2.442 10.513 1.00 1.27 H new ATOM 0 HB2 LEU A 77 0.690 -1.279 9.149 1.00 1.53 H new ATOM 0 HB3 LEU A 77 1.344 -0.567 10.611 1.00 1.53 H new ATOM 0 HG LEU A 77 2.229 0.555 8.585 1.00 1.31 H new ATOM 0 HD11 LEU A 77 4.654 0.368 9.138 1.00 1.84 H new ATOM 0 HD12 LEU A 77 3.658 0.428 10.611 1.00 1.84 H new ATOM 0 HD13 LEU A 77 4.323 -1.124 10.049 1.00 1.84 H new ATOM 0 HD21 LEU A 77 3.772 -0.653 7.064 1.00 2.77 H new ATOM 0 HD22 LEU A 77 3.441 -2.167 7.938 1.00 2.77 H new ATOM 0 HD23 LEU A 77 2.140 -1.361 7.031 1.00 2.77 H new ATOM 1226 N ALA A 78 0.994 -4.361 11.306 1.00 1.02 N ATOM 1227 CA ALA A 78 0.167 -4.949 12.402 1.00 1.11 C ATOM 1228 C ALA A 78 1.079 -5.434 13.531 1.00 1.47 C ATOM 1229 O ALA A 78 0.699 -5.439 14.687 1.00 1.90 O ATOM 1230 CB ALA A 78 -0.638 -6.130 11.857 1.00 1.07 C ATOM 0 H ALA A 78 1.295 -5.022 10.590 1.00 1.02 H new ATOM 0 HA ALA A 78 -0.514 -4.190 12.787 1.00 1.11 H new ATOM 0 HB1 ALA A 78 -1.241 -6.559 12.657 1.00 1.07 H new ATOM 0 HB2 ALA A 78 -1.291 -5.786 11.055 1.00 1.07 H new ATOM 0 HB3 ALA A 78 0.044 -6.888 11.471 1.00 1.07 H new ATOM 1236 N THR A 79 2.277 -5.846 13.202 1.00 1.61 N ATOM 1237 CA THR A 79 3.220 -6.338 14.249 1.00 2.16 C ATOM 1238 C THR A 79 4.215 -5.232 14.605 1.00 3.18 C ATOM 1239 O THR A 79 5.340 -5.498 14.983 1.00 3.71 O ATOM 1240 CB THR A 79 3.979 -7.557 13.718 1.00 2.59 C ATOM 1241 OG1 THR A 79 4.973 -7.940 14.657 1.00 4.00 O ATOM 1242 CG2 THR A 79 4.642 -7.207 12.384 1.00 4.09 C ATOM 0 H THR A 79 2.643 -5.862 12.250 1.00 1.61 H new ATOM 0 HA THR A 79 2.658 -6.618 15.140 1.00 2.16 H new ATOM 0 HB THR A 79 3.282 -8.382 13.569 1.00 2.59 H new ATOM 0 HG1 THR A 79 5.629 -7.218 14.752 1.00 4.00 H new ATOM 0 HG21 THR A 79 5.182 -8.076 12.007 1.00 4.09 H new ATOM 0 HG22 THR A 79 3.878 -6.914 11.664 1.00 4.09 H new ATOM 0 HG23 THR A 79 5.339 -6.382 12.530 1.00 4.09 H new ATOM 1250 N GLY A 80 3.806 -3.994 14.488 1.00 4.11 N ATOM 1251 CA GLY A 80 4.722 -2.863 14.821 1.00 5.53 C ATOM 1252 C GLY A 80 4.363 -2.302 16.198 1.00 6.94 C ATOM 1253 O GLY A 80 4.562 -1.133 16.471 1.00 8.31 O ATOM 0 H GLY A 80 2.875 -3.718 14.175 1.00 4.11 H new ATOM 0 HA2 GLY A 80 5.757 -3.206 14.815 1.00 5.53 H new ATOM 0 HA3 GLY A 80 4.641 -2.081 14.066 1.00 5.53 H new ATOM 1257 N LYS A 81 3.835 -3.128 17.067 1.00 6.94 N ATOM 1258 CA LYS A 81 3.459 -2.650 18.430 1.00 8.58 C ATOM 1259 C LYS A 81 4.294 -3.386 19.480 1.00 9.19 C ATOM 1260 O LYS A 81 3.818 -3.698 20.555 1.00 9.91 O ATOM 1261 CB LYS A 81 1.974 -2.925 18.676 1.00 8.74 C ATOM 1262 CG LYS A 81 1.135 -1.832 18.012 1.00 9.47 C ATOM 1263 CD LYS A 81 0.975 -0.654 18.975 1.00 10.79 C ATOM 1264 CE LYS A 81 0.618 0.607 18.186 1.00 11.65 C ATOM 1265 NZ LYS A 81 -0.864 0.741 18.108 1.00 12.72 N ATOM 0 H LYS A 81 3.648 -4.115 16.889 1.00 6.94 H new ATOM 0 HA LYS A 81 3.648 -1.579 18.502 1.00 8.58 H new ATOM 0 HB2 LYS A 81 1.703 -3.901 18.274 1.00 8.74 H new ATOM 0 HB3 LYS A 81 1.771 -2.954 19.747 1.00 8.74 H new ATOM 0 HG2 LYS A 81 1.615 -1.500 17.091 1.00 9.47 H new ATOM 0 HG3 LYS A 81 0.157 -2.226 17.738 1.00 9.47 H new ATOM 0 HD2 LYS A 81 0.196 -0.871 19.705 1.00 10.79 H new ATOM 0 HD3 LYS A 81 1.899 -0.498 19.532 1.00 10.79 H new ATOM 0 HE2 LYS A 81 1.048 1.485 18.668 1.00 11.65 H new ATOM 0 HE3 LYS A 81 1.042 0.554 17.183 1.00 11.65 H new ATOM 0 HZ1 LYS A 81 -1.107 1.598 17.572 1.00 12.72 H new ATOM 0 HZ2 LYS A 81 -1.263 -0.092 17.630 1.00 12.72 H new ATOM 0 HZ3 LYS A 81 -1.257 0.810 19.068 1.00 12.72 H new ATOM 1279 N LEU A 82 5.537 -3.663 19.175 1.00 9.33 N ATOM 1280 CA LEU A 82 6.411 -4.378 20.151 1.00 10.33 C ATOM 1281 C LEU A 82 6.915 -3.389 21.204 1.00 12.02 C ATOM 1282 O LEU A 82 7.018 -2.203 20.952 1.00 12.75 O ATOM 1283 CB LEU A 82 7.603 -4.991 19.414 1.00 10.26 C ATOM 1284 CG LEU A 82 7.216 -6.369 18.875 1.00 9.48 C ATOM 1285 CD1 LEU A 82 6.217 -6.207 17.728 1.00 9.43 C ATOM 1286 CD2 LEU A 82 8.468 -7.085 18.362 1.00 9.75 C ATOM 0 H LEU A 82 5.984 -3.424 18.290 1.00 9.33 H new ATOM 0 HA LEU A 82 5.841 -5.168 20.639 1.00 10.33 H new ATOM 0 HB2 LEU A 82 7.911 -4.341 18.594 1.00 10.26 H new ATOM 0 HB3 LEU A 82 8.455 -5.079 20.088 1.00 10.26 H new ATOM 0 HG LEU A 82 6.761 -6.956 19.673 1.00 9.48 H new ATOM 0 HD11 LEU A 82 5.941 -7.189 17.344 1.00 9.43 H new ATOM 0 HD12 LEU A 82 5.325 -5.696 18.092 1.00 9.43 H new ATOM 0 HD13 LEU A 82 6.671 -5.620 16.930 1.00 9.43 H new ATOM 0 HD21 LEU A 82 8.194 -8.067 17.978 1.00 9.75 H new ATOM 0 HD22 LEU A 82 8.922 -6.497 17.564 1.00 9.75 H new ATOM 0 HD23 LEU A 82 9.181 -7.201 19.178 1.00 9.75 H new ATOM 1298 N ARG A 83 7.227 -3.869 22.381 1.00 12.91 N ATOM 1299 CA ARG A 83 7.724 -2.964 23.458 1.00 14.74 C ATOM 1300 C ARG A 83 9.124 -2.463 23.099 1.00 15.61 C ATOM 1301 O ARG A 83 9.790 -3.016 22.244 1.00 15.34 O ATOM 1302 CB ARG A 83 7.780 -3.730 24.782 1.00 15.41 C ATOM 1303 CG ARG A 83 6.377 -4.217 25.152 1.00 15.50 C ATOM 1304 CD ARG A 83 6.199 -4.185 26.675 1.00 16.78 C ATOM 1305 NE ARG A 83 4.846 -3.625 27.019 1.00 17.52 N ATOM 1306 CZ ARG A 83 4.427 -2.463 26.562 1.00 18.09 C ATOM 1307 NH1 ARG A 83 5.235 -1.638 25.940 1.00 18.18 N ATOM 1308 NH2 ARG A 83 3.194 -2.098 26.786 1.00 18.87 N ATOM 0 H ARG A 83 7.158 -4.853 22.642 1.00 12.91 H new ATOM 0 HA ARG A 83 7.049 -2.114 23.558 1.00 14.74 H new ATOM 0 HB2 ARG A 83 8.459 -4.578 24.695 1.00 15.41 H new ATOM 0 HB3 ARG A 83 8.172 -3.087 25.570 1.00 15.41 H new ATOM 0 HG2 ARG A 83 5.626 -3.586 24.676 1.00 15.50 H new ATOM 0 HG3 ARG A 83 6.224 -5.230 24.780 1.00 15.50 H new ATOM 0 HD2 ARG A 83 6.301 -5.190 27.083 1.00 16.78 H new ATOM 0 HD3 ARG A 83 6.981 -3.576 27.129 1.00 16.78 H new ATOM 0 HE ARG A 83 4.231 -4.165 27.628 1.00 17.52 H new ATOM 0 HH11 ARG A 83 6.213 -1.891 25.800 1.00 18.18 H new ATOM 0 HH12 ARG A 83 4.885 -0.744 25.596 1.00 18.18 H new ATOM 0 HH21 ARG A 83 2.568 -2.710 27.309 1.00 18.87 H new ATOM 0 HH22 ARG A 83 2.856 -1.201 26.438 1.00 18.87 H new ATOM 1322 N LYS A 84 9.573 -1.419 23.749 1.00 16.90 N ATOM 1323 CA LYS A 84 10.930 -0.872 23.454 1.00 18.08 C ATOM 1324 C LYS A 84 11.783 -0.911 24.723 1.00 19.31 C ATOM 1325 O LYS A 84 12.640 -0.074 24.930 1.00 20.24 O ATOM 1326 CB LYS A 84 10.804 0.574 22.969 1.00 18.94 C ATOM 1327 CG LYS A 84 12.017 0.932 22.109 1.00 19.43 C ATOM 1328 CD LYS A 84 11.720 2.200 21.307 1.00 20.22 C ATOM 1329 CE LYS A 84 10.934 1.835 20.047 1.00 19.96 C ATOM 1330 NZ LYS A 84 10.976 2.974 19.087 1.00 21.04 N ATOM 0 H LYS A 84 9.056 -0.921 24.473 1.00 16.90 H new ATOM 0 HA LYS A 84 11.403 -1.475 22.679 1.00 18.08 H new ATOM 0 HB2 LYS A 84 9.887 0.697 22.392 1.00 18.94 H new ATOM 0 HB3 LYS A 84 10.737 1.250 23.821 1.00 18.94 H new ATOM 0 HG2 LYS A 84 12.891 1.086 22.741 1.00 19.43 H new ATOM 0 HG3 LYS A 84 12.253 0.109 21.434 1.00 19.43 H new ATOM 0 HD2 LYS A 84 11.148 2.902 21.914 1.00 20.22 H new ATOM 0 HD3 LYS A 84 12.651 2.698 21.036 1.00 20.22 H new ATOM 0 HE2 LYS A 84 11.358 0.942 19.587 1.00 19.96 H new ATOM 0 HE3 LYS A 84 9.901 1.601 20.305 1.00 19.96 H new ATOM 0 HZ1 LYS A 84 10.441 2.726 18.230 1.00 21.04 H new ATOM 0 HZ2 LYS A 84 10.552 3.815 19.528 1.00 21.04 H new ATOM 0 HZ3 LYS A 84 11.964 3.177 18.832 1.00 21.04 H new ATOM 1344 N LEU A 85 11.553 -1.881 25.574 1.00 19.53 N ATOM 1345 CA LEU A 85 12.344 -1.990 26.839 1.00 20.92 C ATOM 1346 C LEU A 85 12.159 -0.722 27.677 1.00 22.38 C ATOM 1347 O LEU A 85 12.734 0.311 27.390 1.00 23.19 O ATOM 1348 CB LEU A 85 13.828 -2.168 26.503 1.00 21.47 C ATOM 1349 CG LEU A 85 14.164 -3.659 26.448 1.00 21.08 C ATOM 1350 CD1 LEU A 85 13.997 -4.168 25.016 1.00 20.57 C ATOM 1351 CD2 LEU A 85 15.612 -3.871 26.898 1.00 21.96 C ATOM 0 H LEU A 85 10.847 -2.606 25.446 1.00 19.53 H new ATOM 0 HA LEU A 85 11.994 -2.852 27.407 1.00 20.92 H new ATOM 0 HB2 LEU A 85 14.054 -1.698 25.546 1.00 21.47 H new ATOM 0 HB3 LEU A 85 14.444 -1.673 27.254 1.00 21.47 H new ATOM 0 HG LEU A 85 13.492 -4.207 27.109 1.00 21.08 H new ATOM 0 HD11 LEU A 85 14.237 -5.231 24.977 1.00 20.57 H new ATOM 0 HD12 LEU A 85 12.967 -4.016 24.694 1.00 20.57 H new ATOM 0 HD13 LEU A 85 14.668 -3.620 24.355 1.00 20.57 H new ATOM 0 HD21 LEU A 85 15.853 -4.933 26.859 1.00 21.96 H new ATOM 0 HD22 LEU A 85 16.283 -3.322 26.237 1.00 21.96 H new ATOM 0 HD23 LEU A 85 15.733 -3.508 27.919 1.00 21.96 H new ATOM 1363 N GLU A 86 11.359 -0.797 28.711 1.00 22.90 N ATOM 1364 CA GLU A 86 11.129 0.397 29.575 1.00 24.48 C ATOM 1365 C GLU A 86 12.159 0.416 30.706 1.00 25.66 C ATOM 1366 O GLU A 86 12.393 -0.583 31.361 1.00 25.59 O ATOM 1367 CB GLU A 86 9.720 0.333 30.170 1.00 24.64 C ATOM 1368 CG GLU A 86 8.745 1.077 29.255 1.00 24.43 C ATOM 1369 CD GLU A 86 7.312 0.835 29.731 1.00 24.73 C ATOM 1370 OE1 GLU A 86 6.969 1.331 30.792 1.00 25.67 O ATOM 1371 OE2 GLU A 86 6.581 0.158 29.027 1.00 24.18 O ATOM 0 H GLU A 86 10.855 -1.637 28.993 1.00 22.90 H new ATOM 0 HA GLU A 86 11.230 1.302 28.976 1.00 24.48 H new ATOM 0 HB2 GLU A 86 9.409 -0.705 30.283 1.00 24.64 H new ATOM 0 HB3 GLU A 86 9.713 0.778 31.165 1.00 24.64 H new ATOM 0 HG2 GLU A 86 8.966 2.144 29.262 1.00 24.43 H new ATOM 0 HG3 GLU A 86 8.861 0.734 28.227 1.00 24.43 H new ATOM 1378 N LYS A 87 12.777 1.548 30.940 1.00 26.91 N ATOM 1379 CA LYS A 87 13.798 1.647 32.029 1.00 28.26 C ATOM 1380 C LYS A 87 14.941 0.666 31.757 1.00 28.25 C ATOM 1381 O LYS A 87 15.804 0.540 32.610 1.00 29.11 O ATOM 1382 CB LYS A 87 13.150 1.315 33.376 1.00 28.94 C ATOM 1383 CG LYS A 87 14.113 1.672 34.509 1.00 30.17 C ATOM 1384 CD LYS A 87 13.316 2.054 35.757 1.00 31.24 C ATOM 1385 CE LYS A 87 14.279 2.373 36.902 1.00 32.55 C ATOM 1386 NZ LYS A 87 15.131 3.536 36.525 1.00 33.31 N ATOM 1387 OXT LYS A 87 14.933 0.056 30.700 1.00 27.51 O ATOM 0 H LYS A 87 12.617 2.411 30.421 1.00 26.91 H new ATOM 0 HA LYS A 87 14.193 2.663 32.057 1.00 28.26 H new ATOM 0 HB2 LYS A 87 12.218 1.869 33.489 1.00 28.94 H new ATOM 0 HB3 LYS A 87 12.899 0.255 33.419 1.00 28.94 H new ATOM 0 HG2 LYS A 87 14.765 0.826 34.726 1.00 30.17 H new ATOM 0 HG3 LYS A 87 14.755 2.500 34.207 1.00 30.17 H new ATOM 0 HD2 LYS A 87 12.685 2.918 35.548 1.00 31.24 H new ATOM 0 HD3 LYS A 87 12.654 1.237 36.042 1.00 31.24 H new ATOM 0 HE2 LYS A 87 13.719 2.598 37.810 1.00 32.55 H new ATOM 0 HE3 LYS A 87 14.903 1.506 37.119 1.00 32.55 H new ATOM 0 HZ1 LYS A 87 15.586 3.924 37.376 1.00 33.31 H new ATOM 0 HZ2 LYS A 87 15.862 3.227 35.852 1.00 33.31 H new ATOM 0 HZ3 LYS A 87 14.541 4.270 36.083 1.00 33.31 H new TER 1401 LYS A 87