USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 895 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 71 ASN : amide:sc= 0.883 X(o=1.9,f=1.9) USER MOD Set 1.2: A 74 THR OG1 : rot 160:sc= 0.976 USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLU N :NH3+ -148:sc= 2.27 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= -0.562 K(o=-0.56,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.016) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.218 X(o=0.22,f=-0.17) USER MOD Single : A 19 ASN : amide:sc= -0.76 K(o=-0.76,f=-5.9!) USER MOD Single : A 28 SER OG : rot 64:sc= 1.09 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -96:sc= 1.09 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -85:sc= 0.66 USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= 0.957 (180deg=0.247) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -75:sc= 0.601 USER MOD Single : A 60 GLN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= 0.508 (180deg=0.193) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 77 GLN : amide:sc= -2.08 K(o=-2.1,f=-1.4) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 88 ASN : amide:sc= 0.45 K(o=0.45,f=-3.5!) USER MOD Single : A 97 THR OG1 : rot -81:sc= 0.612 USER MOD Single : A 100 THR OG1 : rot 49:sc= 0.576! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -35:sc= 0.601! USER MOD Single : A 105 ASN : amide:sc= -2.3! C(o=-2.3!,f=-8.2!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= -0.456 X(o=-0.46,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.334 K(o=-0.33,f=-1.6) USER MOD Single : A 115 ASN : amide:sc= -3.98! X(o=-4!,f=-4.1) USER MOD Single : A 117 ASN : amide:sc= 0.659 K(o=0.66,f=-6!) USER MOD Single : A 118 TYR OH : rot -80:sc= -1.3 USER MOD Single : A 119 GLN : amide:sc= -4.34! C(o=-4.3!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.650 15.137 -1.007 1.00 0.00 N ATOM 2 CA GLU A 1 2.801 14.945 -2.487 1.00 0.00 C ATOM 3 C GLU A 1 4.147 14.323 -3.005 1.00 0.00 C ATOM 4 O GLU A 1 4.116 13.643 -4.015 1.00 0.00 O ATOM 5 CB GLU A 1 2.528 16.333 -3.149 1.00 0.00 C ATOM 6 CG GLU A 1 1.179 16.999 -2.606 1.00 0.00 C ATOM 7 CD GLU A 1 -0.022 16.039 -2.421 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.098 15.245 -1.501 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.977 16.140 -3.184 1.00 0.00 O ATOM 0 H1 GLU A 1 1.651 15.021 -0.742 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.225 14.431 -0.505 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.969 16.092 -0.747 1.00 0.00 H new ATOM 0 HA GLU A 1 2.082 14.178 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.367 17.000 -2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.464 16.213 -4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.391 17.474 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.884 17.790 -3.295 1.00 0.00 H new ATOM 18 N GLN A 2 5.276 14.553 -2.364 1.00 0.00 N ATOM 19 CA GLN A 2 6.583 13.949 -2.839 1.00 0.00 C ATOM 20 C GLN A 2 7.373 13.252 -1.697 1.00 0.00 C ATOM 21 O GLN A 2 7.449 13.764 -0.595 1.00 0.00 O ATOM 22 CB GLN A 2 7.492 15.060 -3.469 1.00 0.00 C ATOM 23 CG GLN A 2 8.957 14.480 -3.657 1.00 0.00 C ATOM 24 CD GLN A 2 9.867 15.291 -4.574 1.00 0.00 C ATOM 25 OE1 GLN A 2 11.046 15.047 -4.663 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.409 16.256 -5.290 1.00 0.00 N ATOM 0 H GLN A 2 5.354 15.134 -1.529 1.00 0.00 H new ATOM 0 HA GLN A 2 6.323 13.194 -3.581 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.087 15.379 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.514 15.939 -2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.429 14.406 -2.677 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.881 13.467 -4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.419 16.498 -5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.036 16.780 -5.901 1.00 0.00 H new ATOM 35 N ALA A 3 7.933 12.101 -1.996 1.00 0.00 N ATOM 36 CA ALA A 3 8.733 11.333 -0.984 1.00 0.00 C ATOM 37 C ALA A 3 9.859 10.449 -1.618 1.00 0.00 C ATOM 38 O ALA A 3 9.756 10.045 -2.761 1.00 0.00 O ATOM 39 CB ALA A 3 7.734 10.479 -0.216 1.00 0.00 C ATOM 0 H ALA A 3 7.869 11.655 -2.911 1.00 0.00 H new ATOM 0 HA ALA A 3 9.265 12.028 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.260 9.894 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.002 11.124 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.224 9.806 -0.906 1.00 0.00 H new ATOM 45 N ASN A 4 10.885 10.175 -0.852 1.00 0.00 N ATOM 46 CA ASN A 4 12.043 9.338 -1.316 1.00 0.00 C ATOM 47 C ASN A 4 12.361 8.286 -0.219 1.00 0.00 C ATOM 48 O ASN A 4 11.826 8.400 0.866 1.00 0.00 O ATOM 49 CB ASN A 4 13.254 10.293 -1.607 1.00 0.00 C ATOM 50 CG ASN A 4 13.804 11.065 -0.402 1.00 0.00 C ATOM 51 OD1 ASN A 4 14.938 10.908 -0.016 1.00 0.00 O ATOM 52 ND2 ASN A 4 13.097 11.924 0.258 1.00 0.00 N ATOM 0 H ASN A 4 10.973 10.507 0.108 1.00 0.00 H new ATOM 0 HA ASN A 4 11.815 8.798 -2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.063 9.701 -2.035 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.949 11.013 -2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 4 13.506 12.420 1.050 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.131 12.106 -0.014 1.00 0.00 H new ATOM 59 N ASP A 5 13.195 7.336 -0.521 1.00 0.00 N ATOM 60 CA ASP A 5 13.606 6.249 0.403 1.00 0.00 C ATOM 61 C ASP A 5 12.537 5.843 1.445 1.00 0.00 C ATOM 62 O ASP A 5 12.669 6.014 2.644 1.00 0.00 O ATOM 63 CB ASP A 5 14.939 6.774 1.002 1.00 0.00 C ATOM 64 CG ASP A 5 16.031 6.634 -0.055 1.00 0.00 C ATOM 65 OD1 ASP A 5 15.919 7.317 -1.063 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.909 5.833 0.220 1.00 0.00 O ATOM 0 H ASP A 5 13.638 7.268 -1.437 1.00 0.00 H new ATOM 0 HA ASP A 5 13.735 5.297 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.835 7.816 1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.202 6.208 1.896 1.00 0.00 H new ATOM 71 N VAL A 6 11.478 5.290 0.916 1.00 0.00 N ATOM 72 CA VAL A 6 10.349 4.834 1.789 1.00 0.00 C ATOM 73 C VAL A 6 10.246 3.297 1.778 1.00 0.00 C ATOM 74 O VAL A 6 10.457 2.658 0.761 1.00 0.00 O ATOM 75 CB VAL A 6 9.046 5.461 1.260 1.00 0.00 C ATOM 76 CG1 VAL A 6 7.938 5.327 2.324 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.260 6.950 0.934 1.00 0.00 C ATOM 0 H VAL A 6 11.343 5.133 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 6 10.525 5.149 2.817 1.00 0.00 H new ATOM 0 HB VAL A 6 8.751 4.937 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.017 5.771 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.769 4.273 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.244 5.842 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.330 7.378 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.567 7.479 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.035 7.048 0.174 1.00 0.00 H new ATOM 87 N ARG A 7 9.914 2.760 2.925 1.00 0.00 N ATOM 88 CA ARG A 7 9.775 1.273 3.088 1.00 0.00 C ATOM 89 C ARG A 7 8.674 0.557 2.263 1.00 0.00 C ATOM 90 O ARG A 7 7.489 0.815 2.387 1.00 0.00 O ATOM 91 CB ARG A 7 9.539 0.948 4.607 1.00 0.00 C ATOM 92 CG ARG A 7 10.813 1.218 5.439 1.00 0.00 C ATOM 93 CD ARG A 7 10.592 0.875 6.932 1.00 0.00 C ATOM 94 NE ARG A 7 10.359 -0.611 7.087 1.00 0.00 N ATOM 95 CZ ARG A 7 9.392 -1.086 7.775 1.00 0.00 C ATOM 96 NH1 ARG A 7 9.487 -1.010 9.036 1.00 0.00 N ATOM 97 NH2 ARG A 7 8.407 -1.608 7.170 1.00 0.00 N ATOM 0 H ARG A 7 9.729 3.296 3.773 1.00 0.00 H new ATOM 0 HA ARG A 7 10.711 0.881 2.690 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.717 1.554 4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.244 -0.095 4.717 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.639 0.626 5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.098 2.266 5.343 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.460 1.179 7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.737 1.429 7.319 1.00 0.00 H new ATOM 0 HE ARG A 7 10.997 -1.259 6.625 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.310 -0.583 9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.740 -1.376 9.627 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.395 -1.644 6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.627 -1.992 7.703 1.00 0.00 H new ATOM 111 N ALA A 8 9.152 -0.331 1.425 1.00 0.00 N ATOM 112 CA ALA A 8 8.281 -1.156 0.540 1.00 0.00 C ATOM 113 C ALA A 8 8.731 -2.641 0.726 1.00 0.00 C ATOM 114 O ALA A 8 9.834 -3.045 0.378 1.00 0.00 O ATOM 115 CB ALA A 8 8.481 -0.643 -0.890 1.00 0.00 C ATOM 0 H ALA A 8 10.148 -0.522 1.317 1.00 0.00 H new ATOM 0 HA ALA A 8 7.218 -1.090 0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.860 -1.221 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.197 0.408 -0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.528 -0.751 -1.172 1.00 0.00 H new ATOM 121 N THR A 9 7.834 -3.403 1.297 1.00 0.00 N ATOM 122 CA THR A 9 8.079 -4.859 1.565 1.00 0.00 C ATOM 123 C THR A 9 7.112 -5.614 0.652 1.00 0.00 C ATOM 124 O THR A 9 6.045 -5.097 0.381 1.00 0.00 O ATOM 125 CB THR A 9 7.745 -5.209 3.028 1.00 0.00 C ATOM 126 OG1 THR A 9 6.340 -5.039 3.155 1.00 0.00 O ATOM 127 CG2 THR A 9 8.170 -4.144 4.044 1.00 0.00 C ATOM 0 H THR A 9 6.918 -3.071 1.597 1.00 0.00 H new ATOM 0 HA THR A 9 9.123 -5.116 1.386 1.00 0.00 H new ATOM 0 HB THR A 9 8.206 -6.180 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.066 -5.251 4.072 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.898 -4.470 5.048 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.249 -3.999 3.990 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.666 -3.204 3.818 1.00 0.00 H new ATOM 135 N TYR A 10 7.459 -6.792 0.223 1.00 0.00 N ATOM 136 CA TYR A 10 6.514 -7.534 -0.682 1.00 0.00 C ATOM 137 C TYR A 10 6.095 -8.970 -0.208 1.00 0.00 C ATOM 138 O TYR A 10 6.911 -9.753 0.239 1.00 0.00 O ATOM 139 CB TYR A 10 7.240 -7.528 -2.056 1.00 0.00 C ATOM 140 CG TYR A 10 8.181 -8.725 -2.158 1.00 0.00 C ATOM 141 CD1 TYR A 10 9.295 -8.870 -1.352 1.00 0.00 C ATOM 142 CD2 TYR A 10 7.877 -9.709 -3.063 1.00 0.00 C ATOM 143 CE1 TYR A 10 10.081 -9.989 -1.452 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.668 -10.830 -3.161 1.00 0.00 C ATOM 145 CZ TYR A 10 9.763 -10.972 -2.357 1.00 0.00 C ATOM 146 OH TYR A 10 10.521 -12.111 -2.434 1.00 0.00 O ATOM 0 H TYR A 10 8.331 -7.272 0.447 1.00 0.00 H new ATOM 0 HA TYR A 10 5.541 -7.043 -0.705 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.508 -7.561 -2.863 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.803 -6.602 -2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.547 -8.098 -0.640 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.013 -9.603 -3.702 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.950 -10.097 -0.820 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.422 -11.601 -3.876 1.00 0.00 H new ATOM 0 HH TYR A 10 10.156 -12.701 -3.126 1.00 0.00 H new ATOM 156 N HIS A 11 4.831 -9.288 -0.306 1.00 0.00 N ATOM 157 CA HIS A 11 4.351 -10.649 0.123 1.00 0.00 C ATOM 158 C HIS A 11 3.501 -11.322 -0.969 1.00 0.00 C ATOM 159 O HIS A 11 3.239 -10.729 -1.993 1.00 0.00 O ATOM 160 CB HIS A 11 3.570 -10.456 1.441 1.00 0.00 C ATOM 161 CG HIS A 11 2.552 -9.325 1.317 1.00 0.00 C ATOM 162 ND1 HIS A 11 2.440 -8.372 2.175 1.00 0.00 N ATOM 163 CD2 HIS A 11 1.583 -9.044 0.374 1.00 0.00 C ATOM 164 CE1 HIS A 11 1.497 -7.562 1.821 1.00 0.00 C ATOM 165 NE2 HIS A 11 0.935 -7.944 0.702 1.00 0.00 N ATOM 0 H HIS A 11 4.104 -8.668 -0.664 1.00 0.00 H new ATOM 0 HA HIS A 11 5.193 -11.323 0.284 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.059 -11.382 1.703 1.00 0.00 H new ATOM 0 HB3 HIS A 11 4.266 -10.236 2.251 1.00 0.00 H new ATOM 0 HD2 HIS A 11 1.385 -9.639 -0.505 1.00 0.00 H new ATOM 0 HE1 HIS A 11 1.209 -6.682 2.377 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.171 -7.493 0.199 1.00 0.00 H new ATOM 173 N TYR A 12 3.074 -12.534 -0.728 1.00 0.00 N ATOM 174 CA TYR A 12 2.249 -13.254 -1.754 1.00 0.00 C ATOM 175 C TYR A 12 0.724 -13.265 -1.467 1.00 0.00 C ATOM 176 O TYR A 12 0.158 -14.250 -1.033 1.00 0.00 O ATOM 177 CB TYR A 12 2.806 -14.703 -1.849 1.00 0.00 C ATOM 178 CG TYR A 12 4.353 -14.716 -1.939 1.00 0.00 C ATOM 179 CD1 TYR A 12 5.046 -14.032 -2.926 1.00 0.00 C ATOM 180 CD2 TYR A 12 5.078 -15.434 -1.010 1.00 0.00 C ATOM 181 CE1 TYR A 12 6.436 -14.071 -2.974 1.00 0.00 C ATOM 182 CE2 TYR A 12 6.460 -15.469 -1.066 1.00 0.00 C ATOM 183 CZ TYR A 12 7.150 -14.791 -2.042 1.00 0.00 C ATOM 184 OH TYR A 12 8.532 -14.856 -2.061 1.00 0.00 O ATOM 0 H TYR A 12 3.257 -13.057 0.128 1.00 0.00 H new ATOM 0 HA TYR A 12 2.336 -12.717 -2.699 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.487 -15.274 -0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.386 -15.198 -2.725 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.501 -13.463 -3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.561 -15.974 -0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.960 -13.532 -3.749 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.006 -16.039 -0.329 1.00 0.00 H new ATOM 0 HH TYR A 12 8.843 -15.414 -1.318 1.00 0.00 H new ATOM 194 N TYR A 13 0.102 -12.141 -1.716 1.00 0.00 N ATOM 195 CA TYR A 13 -1.385 -12.074 -1.470 1.00 0.00 C ATOM 196 C TYR A 13 -2.175 -12.806 -2.588 1.00 0.00 C ATOM 197 O TYR A 13 -1.603 -13.467 -3.434 1.00 0.00 O ATOM 198 CB TYR A 13 -1.796 -10.575 -1.391 1.00 0.00 C ATOM 199 CG TYR A 13 -2.176 -10.166 0.040 1.00 0.00 C ATOM 200 CD1 TYR A 13 -1.403 -10.568 1.107 1.00 0.00 C ATOM 201 CD2 TYR A 13 -3.294 -9.383 0.278 1.00 0.00 C ATOM 202 CE1 TYR A 13 -1.741 -10.196 2.387 1.00 0.00 C ATOM 203 CE2 TYR A 13 -3.632 -9.008 1.567 1.00 0.00 C ATOM 204 CZ TYR A 13 -2.852 -9.419 2.617 1.00 0.00 C ATOM 205 OH TYR A 13 -3.182 -9.069 3.901 1.00 0.00 O ATOM 0 H TYR A 13 0.535 -11.287 -2.068 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.624 -12.577 -0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.972 -9.953 -1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.639 -10.393 -2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.528 -11.178 0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.908 -9.062 -0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.130 -10.516 3.218 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.504 -8.396 1.744 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.993 -8.518 3.892 1.00 0.00 H new ATOM 215 N ARG A 14 -3.474 -12.680 -2.554 1.00 0.00 N ATOM 216 CA ARG A 14 -4.345 -13.348 -3.587 1.00 0.00 C ATOM 217 C ARG A 14 -5.247 -12.330 -4.342 1.00 0.00 C ATOM 218 O ARG A 14 -6.446 -12.518 -4.390 1.00 0.00 O ATOM 219 CB ARG A 14 -5.216 -14.417 -2.859 1.00 0.00 C ATOM 220 CG ARG A 14 -4.355 -15.531 -2.201 1.00 0.00 C ATOM 221 CD ARG A 14 -5.304 -16.438 -1.400 1.00 0.00 C ATOM 222 NE ARG A 14 -4.471 -17.464 -0.670 1.00 0.00 N ATOM 223 CZ ARG A 14 -4.924 -18.615 -0.306 1.00 0.00 C ATOM 224 NH1 ARG A 14 -6.158 -18.717 -0.007 1.00 0.00 N ATOM 225 NH2 ARG A 14 -4.139 -19.618 -0.244 1.00 0.00 N ATOM 0 H ARG A 14 -3.981 -12.140 -1.853 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.711 -13.814 -4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.822 -13.930 -2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.906 -14.868 -3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.826 -16.106 -2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.599 -15.095 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.887 -15.848 -0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.014 -16.929 -2.066 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.501 -17.235 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.765 -17.899 -0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.540 -19.617 0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.153 -19.510 -0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.497 -20.529 0.044 1.00 0.00 H new ATOM 239 N PRO A 15 -4.658 -11.297 -4.915 1.00 0.00 N ATOM 240 CA PRO A 15 -5.435 -10.098 -5.369 1.00 0.00 C ATOM 241 C PRO A 15 -6.534 -10.454 -6.401 1.00 0.00 C ATOM 242 O PRO A 15 -7.647 -10.846 -6.096 1.00 0.00 O ATOM 243 CB PRO A 15 -4.319 -9.164 -5.902 1.00 0.00 C ATOM 244 CG PRO A 15 -3.217 -10.169 -6.376 1.00 0.00 C ATOM 245 CD PRO A 15 -3.195 -11.177 -5.216 1.00 0.00 C ATOM 0 HA PRO A 15 -6.023 -9.624 -4.583 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.673 -8.538 -6.721 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.948 -8.494 -5.126 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.474 -10.641 -7.324 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.251 -9.683 -6.514 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.754 -12.131 -5.506 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.627 -10.810 -4.361 1.00 0.00 H new ATOM 253 N ALA A 16 -6.168 -10.289 -7.645 1.00 0.00 N ATOM 254 CA ALA A 16 -7.106 -10.593 -8.780 1.00 0.00 C ATOM 255 C ALA A 16 -7.774 -11.999 -8.691 1.00 0.00 C ATOM 256 O ALA A 16 -8.781 -12.224 -9.331 1.00 0.00 O ATOM 257 CB ALA A 16 -6.303 -10.433 -10.082 1.00 0.00 C ATOM 0 H ALA A 16 -5.249 -9.953 -7.932 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.944 -9.897 -8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.947 -10.645 -10.935 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.928 -9.412 -10.155 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.464 -11.128 -10.080 1.00 0.00 H new ATOM 263 N GLN A 17 -7.184 -12.874 -7.914 1.00 0.00 N ATOM 264 CA GLN A 17 -7.654 -14.290 -7.670 1.00 0.00 C ATOM 265 C GLN A 17 -9.192 -14.424 -7.625 1.00 0.00 C ATOM 266 O GLN A 17 -9.757 -15.187 -8.379 1.00 0.00 O ATOM 267 CB GLN A 17 -7.016 -14.760 -6.333 1.00 0.00 C ATOM 268 CG GLN A 17 -7.426 -16.228 -5.915 1.00 0.00 C ATOM 269 CD GLN A 17 -6.304 -17.251 -6.108 1.00 0.00 C ATOM 270 OE1 GLN A 17 -5.231 -17.147 -5.557 1.00 0.00 O ATOM 271 NE2 GLN A 17 -6.486 -18.274 -6.873 1.00 0.00 N ATOM 0 H GLN A 17 -6.332 -12.651 -7.399 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.340 -14.917 -8.504 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.931 -14.706 -6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.307 -14.071 -5.540 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.731 -16.228 -4.869 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.293 -16.536 -6.500 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.376 -18.398 -7.355 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.740 -18.959 -6.995 1.00 0.00 H new ATOM 280 N ASN A 18 -9.821 -13.682 -6.744 1.00 0.00 N ATOM 281 CA ASN A 18 -11.329 -13.742 -6.626 1.00 0.00 C ATOM 282 C ASN A 18 -11.887 -12.436 -7.247 1.00 0.00 C ATOM 283 O ASN A 18 -12.929 -11.931 -6.879 1.00 0.00 O ATOM 284 CB ASN A 18 -11.660 -13.853 -5.113 1.00 0.00 C ATOM 285 CG ASN A 18 -13.100 -14.313 -4.890 1.00 0.00 C ATOM 286 OD1 ASN A 18 -13.379 -15.453 -4.595 1.00 0.00 O ATOM 287 ND2 ASN A 18 -14.077 -13.479 -5.025 1.00 0.00 N ATOM 0 H ASN A 18 -9.364 -13.037 -6.100 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.772 -14.592 -7.146 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.974 -14.556 -4.640 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.507 -12.886 -4.634 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -15.038 -13.792 -4.884 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.888 -12.508 -5.273 1.00 0.00 H new ATOM 294 N ASN A 19 -11.111 -11.966 -8.190 1.00 0.00 N ATOM 295 CA ASN A 19 -11.342 -10.710 -8.991 1.00 0.00 C ATOM 296 C ASN A 19 -10.975 -9.473 -8.104 1.00 0.00 C ATOM 297 O ASN A 19 -11.698 -8.498 -8.045 1.00 0.00 O ATOM 298 CB ASN A 19 -12.828 -10.674 -9.445 1.00 0.00 C ATOM 299 CG ASN A 19 -12.997 -9.663 -10.580 1.00 0.00 C ATOM 300 OD1 ASN A 19 -13.241 -8.486 -10.428 1.00 0.00 O ATOM 301 ND2 ASN A 19 -12.873 -10.055 -11.805 1.00 0.00 N ATOM 0 H ASN A 19 -10.251 -12.443 -8.461 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.714 -10.688 -9.881 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.141 -11.664 -9.778 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.468 -10.403 -8.605 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.981 -9.386 -12.568 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.667 -11.033 -12.009 1.00 0.00 H new ATOM 308 N TRP A 20 -9.844 -9.587 -7.448 1.00 0.00 N ATOM 309 CA TRP A 20 -9.250 -8.575 -6.532 1.00 0.00 C ATOM 310 C TRP A 20 -10.006 -8.774 -5.244 1.00 0.00 C ATOM 311 O TRP A 20 -11.156 -8.417 -5.097 1.00 0.00 O ATOM 312 CB TRP A 20 -9.438 -7.183 -6.983 1.00 0.00 C ATOM 313 CG TRP A 20 -8.739 -6.893 -8.316 1.00 0.00 C ATOM 314 CD1 TRP A 20 -9.485 -6.798 -9.427 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.416 -6.637 -8.608 1.00 0.00 C ATOM 316 NE1 TRP A 20 -8.604 -6.485 -10.349 1.00 0.00 N ATOM 317 CE2 TRP A 20 -7.349 -6.362 -9.955 1.00 0.00 C ATOM 318 CE3 TRP A 20 -6.207 -6.589 -7.907 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -6.150 -6.043 -10.551 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -5.006 -6.269 -8.534 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.979 -5.994 -9.857 1.00 0.00 C ATOM 0 H TRP A 20 -9.264 -10.423 -7.526 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.171 -8.713 -6.463 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.504 -6.979 -7.085 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -9.055 -6.504 -6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.550 -6.943 -9.536 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.875 -6.344 -11.322 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -6.205 -6.806 -6.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -6.137 -5.823 -11.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -4.091 -6.240 -7.960 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -4.052 -5.742 -10.351 1.00 0.00 H new ATOM 332 N ASP A 21 -9.305 -9.364 -4.344 1.00 0.00 N ATOM 333 CA ASP A 21 -9.833 -9.681 -3.002 1.00 0.00 C ATOM 334 C ASP A 21 -10.232 -8.424 -2.170 1.00 0.00 C ATOM 335 O ASP A 21 -9.757 -8.256 -1.070 1.00 0.00 O ATOM 336 CB ASP A 21 -8.685 -10.557 -2.412 1.00 0.00 C ATOM 337 CG ASP A 21 -9.182 -11.636 -1.465 1.00 0.00 C ATOM 338 OD1 ASP A 21 -9.886 -12.488 -1.989 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.825 -11.561 -0.303 1.00 0.00 O ATOM 0 H ASP A 21 -8.338 -9.656 -4.487 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.789 -10.205 -3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.137 -11.025 -3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.981 -9.914 -1.883 1.00 0.00 H new ATOM 344 N LEU A 22 -11.087 -7.546 -2.654 1.00 0.00 N ATOM 345 CA LEU A 22 -11.465 -6.345 -1.847 1.00 0.00 C ATOM 346 C LEU A 22 -12.659 -6.656 -0.955 1.00 0.00 C ATOM 347 O LEU A 22 -12.582 -6.480 0.242 1.00 0.00 O ATOM 348 CB LEU A 22 -11.843 -5.194 -2.760 1.00 0.00 C ATOM 349 CG LEU A 22 -10.788 -4.854 -3.792 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.109 -3.412 -4.191 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.366 -4.904 -3.195 1.00 0.00 C ATOM 0 H LEU A 22 -11.534 -7.613 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.605 -6.071 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.772 -5.441 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.040 -4.311 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.804 -5.559 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.393 -3.074 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.117 -3.364 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.046 -2.769 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.638 -4.654 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.289 -4.187 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.165 -5.907 -2.818 1.00 0.00 H new ATOM 363 N GLY A 23 -13.723 -7.096 -1.577 1.00 0.00 N ATOM 364 CA GLY A 23 -14.983 -7.460 -0.839 1.00 0.00 C ATOM 365 C GLY A 23 -14.638 -8.517 0.223 1.00 0.00 C ATOM 366 O GLY A 23 -15.171 -8.511 1.316 1.00 0.00 O ATOM 0 H GLY A 23 -13.778 -7.223 -2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.415 -6.577 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.729 -7.849 -1.532 1.00 0.00 H new ATOM 370 N ALA A 24 -13.757 -9.402 -0.177 1.00 0.00 N ATOM 371 CA ALA A 24 -13.265 -10.517 0.687 1.00 0.00 C ATOM 372 C ALA A 24 -13.033 -10.080 2.175 1.00 0.00 C ATOM 373 O ALA A 24 -12.091 -9.359 2.464 1.00 0.00 O ATOM 374 CB ALA A 24 -11.971 -11.026 0.021 1.00 0.00 C ATOM 0 H ALA A 24 -13.343 -9.394 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.013 -11.307 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.559 -11.847 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.194 -11.376 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.244 -10.215 -0.029 1.00 0.00 H new ATOM 380 N PRO A 25 -13.888 -10.509 3.089 1.00 0.00 N ATOM 381 CA PRO A 25 -13.955 -9.958 4.477 1.00 0.00 C ATOM 382 C PRO A 25 -12.596 -9.536 5.079 1.00 0.00 C ATOM 383 O PRO A 25 -12.360 -8.404 5.443 1.00 0.00 O ATOM 384 CB PRO A 25 -14.638 -11.079 5.311 1.00 0.00 C ATOM 385 CG PRO A 25 -14.925 -12.241 4.307 1.00 0.00 C ATOM 386 CD PRO A 25 -14.890 -11.603 2.909 1.00 0.00 C ATOM 0 HA PRO A 25 -14.512 -9.021 4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.990 -11.413 6.121 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.560 -10.720 5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.177 -13.029 4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.895 -12.698 4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.583 -12.315 2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.865 -11.218 2.612 1.00 0.00 H new ATOM 394 N ALA A 26 -11.758 -10.530 5.148 1.00 0.00 N ATOM 395 CA ALA A 26 -10.361 -10.445 5.691 1.00 0.00 C ATOM 396 C ALA A 26 -9.513 -9.227 5.273 1.00 0.00 C ATOM 397 O ALA A 26 -8.585 -8.841 5.963 1.00 0.00 O ATOM 398 CB ALA A 26 -9.674 -11.777 5.287 1.00 0.00 C ATOM 0 H ALA A 26 -12.000 -11.467 4.827 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.436 -10.295 6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.647 -11.782 5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.219 -12.614 5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.673 -11.871 4.201 1.00 0.00 H new ATOM 404 N VAL A 27 -9.894 -8.692 4.148 1.00 0.00 N ATOM 405 CA VAL A 27 -9.218 -7.504 3.518 1.00 0.00 C ATOM 406 C VAL A 27 -9.993 -6.192 3.628 1.00 0.00 C ATOM 407 O VAL A 27 -9.542 -5.198 4.162 1.00 0.00 O ATOM 408 CB VAL A 27 -9.019 -7.757 2.009 1.00 0.00 C ATOM 409 CG1 VAL A 27 -8.016 -6.750 1.439 1.00 0.00 C ATOM 410 CG2 VAL A 27 -8.525 -9.194 1.708 1.00 0.00 C ATOM 0 H VAL A 27 -10.685 -9.042 3.608 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.283 -7.397 4.069 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.993 -7.635 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.881 -6.935 0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.393 -5.738 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.060 -6.860 1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.401 -9.318 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.569 -9.362 2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.256 -9.914 2.075 1.00 0.00 H new ATOM 420 N SER A 28 -11.163 -6.295 3.073 1.00 0.00 N ATOM 421 CA SER A 28 -12.159 -5.185 3.003 1.00 0.00 C ATOM 422 C SER A 28 -11.484 -3.791 2.868 1.00 0.00 C ATOM 423 O SER A 28 -11.254 -3.074 3.827 1.00 0.00 O ATOM 424 CB SER A 28 -13.049 -5.250 4.277 1.00 0.00 C ATOM 425 OG SER A 28 -12.240 -4.807 5.360 1.00 0.00 O ATOM 0 H SER A 28 -11.491 -7.157 2.637 1.00 0.00 H new ATOM 0 HA SER A 28 -12.767 -5.313 2.108 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.930 -4.617 4.167 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.405 -6.266 4.449 1.00 0.00 H new ATOM 0 HG SER A 28 -11.991 -3.870 5.220 1.00 0.00 H new ATOM 431 N ALA A 29 -11.195 -3.465 1.637 1.00 0.00 N ATOM 432 CA ALA A 29 -10.523 -2.163 1.296 1.00 0.00 C ATOM 433 C ALA A 29 -11.399 -0.918 1.000 1.00 0.00 C ATOM 434 O ALA A 29 -12.512 -1.023 0.518 1.00 0.00 O ATOM 435 CB ALA A 29 -9.630 -2.498 0.117 1.00 0.00 C ATOM 0 H ALA A 29 -11.399 -4.056 0.831 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.011 -1.819 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.097 -1.602 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.911 -3.263 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.239 -2.870 -0.707 1.00 0.00 H new ATOM 441 N TYR A 30 -10.828 0.239 1.274 1.00 0.00 N ATOM 442 CA TYR A 30 -11.511 1.561 1.068 1.00 0.00 C ATOM 443 C TYR A 30 -12.486 1.745 -0.093 1.00 0.00 C ATOM 444 O TYR A 30 -13.666 1.941 0.110 1.00 0.00 O ATOM 445 CB TYR A 30 -10.406 2.656 0.977 1.00 0.00 C ATOM 446 CG TYR A 30 -10.613 3.690 2.096 1.00 0.00 C ATOM 447 CD1 TYR A 30 -10.373 3.407 3.428 1.00 0.00 C ATOM 448 CD2 TYR A 30 -11.066 4.948 1.749 1.00 0.00 C ATOM 449 CE1 TYR A 30 -10.583 4.372 4.399 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.273 5.902 2.719 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.035 5.620 4.041 1.00 0.00 C ATOM 452 OH TYR A 30 -11.244 6.588 4.996 1.00 0.00 O ATOM 0 H TYR A 30 -9.882 0.320 1.646 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.175 1.633 1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.420 2.200 1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.444 3.145 0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.019 2.427 3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.258 5.184 0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.392 4.144 5.437 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.626 6.883 2.437 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.562 7.409 4.566 1.00 0.00 H new ATOM 462 N CYS A 31 -11.987 1.668 -1.291 1.00 0.00 N ATOM 463 CA CYS A 31 -12.899 1.852 -2.453 1.00 0.00 C ATOM 464 C CYS A 31 -13.621 0.541 -2.817 1.00 0.00 C ATOM 465 O CYS A 31 -14.291 0.482 -3.824 1.00 0.00 O ATOM 466 CB CYS A 31 -12.046 2.376 -3.642 1.00 0.00 C ATOM 467 SG CYS A 31 -11.064 3.893 -3.475 1.00 0.00 S ATOM 0 H CYS A 31 -11.008 1.490 -1.516 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.680 2.571 -2.204 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.359 1.577 -3.921 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.723 2.522 -4.483 1.00 0.00 H new ATOM 472 N ALA A 32 -13.537 -0.500 -2.027 1.00 0.00 N ATOM 473 CA ALA A 32 -14.245 -1.776 -2.400 1.00 0.00 C ATOM 474 C ALA A 32 -15.778 -1.582 -2.563 1.00 0.00 C ATOM 475 O ALA A 32 -16.448 -2.432 -3.108 1.00 0.00 O ATOM 476 CB ALA A 32 -13.935 -2.813 -1.308 1.00 0.00 C ATOM 0 H ALA A 32 -13.017 -0.528 -1.150 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.886 -2.115 -3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.433 -3.753 -1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.859 -2.976 -1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.293 -2.446 -0.346 1.00 0.00 H new ATOM 482 N THR A 33 -16.271 -0.470 -2.086 1.00 0.00 N ATOM 483 CA THR A 33 -17.736 -0.095 -2.144 1.00 0.00 C ATOM 484 C THR A 33 -18.065 0.660 -3.443 1.00 0.00 C ATOM 485 O THR A 33 -19.210 0.782 -3.841 1.00 0.00 O ATOM 486 CB THR A 33 -18.063 0.812 -0.943 1.00 0.00 C ATOM 487 OG1 THR A 33 -17.886 -0.029 0.185 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.530 1.177 -0.809 1.00 0.00 C ATOM 0 H THR A 33 -15.693 0.238 -1.632 1.00 0.00 H new ATOM 0 HA THR A 33 -18.331 -1.008 -2.115 1.00 0.00 H new ATOM 0 HB THR A 33 -17.460 1.714 -1.043 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.075 0.477 1.003 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.668 1.817 0.063 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.856 1.707 -1.704 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.121 0.269 -0.690 1.00 0.00 H new ATOM 496 N TRP A 34 -17.013 1.136 -4.056 1.00 0.00 N ATOM 497 CA TRP A 34 -17.078 1.917 -5.330 1.00 0.00 C ATOM 498 C TRP A 34 -16.343 1.271 -6.524 1.00 0.00 C ATOM 499 O TRP A 34 -16.906 1.214 -7.599 1.00 0.00 O ATOM 500 CB TRP A 34 -16.529 3.322 -4.944 1.00 0.00 C ATOM 501 CG TRP A 34 -17.466 3.836 -3.833 1.00 0.00 C ATOM 502 CD1 TRP A 34 -18.828 3.858 -3.905 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.083 4.300 -2.630 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.168 4.332 -2.723 1.00 0.00 N ATOM 505 CE2 TRP A 34 -18.189 4.626 -1.887 1.00 0.00 C ATOM 506 CE3 TRP A 34 -15.824 4.468 -2.108 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -18.042 5.120 -0.611 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -15.665 4.966 -0.823 1.00 0.00 C ATOM 509 CH2 TRP A 34 -16.779 5.290 -0.076 1.00 0.00 C ATOM 0 H TRP A 34 -16.063 1.008 -3.707 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.098 1.962 -5.712 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.500 3.258 -4.592 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.531 3.994 -5.802 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.467 3.562 -4.724 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.146 4.466 -2.465 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -14.957 4.212 -2.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -18.914 5.375 -0.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -14.676 5.099 -0.410 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -16.664 5.676 0.926 1.00 0.00 H new ATOM 520 N ASP A 35 -15.145 0.789 -6.340 1.00 0.00 N ATOM 521 CA ASP A 35 -14.333 0.143 -7.424 1.00 0.00 C ATOM 522 C ASP A 35 -14.726 -1.298 -7.678 1.00 0.00 C ATOM 523 O ASP A 35 -14.606 -1.774 -8.793 1.00 0.00 O ATOM 524 CB ASP A 35 -12.862 0.217 -7.014 1.00 0.00 C ATOM 525 CG ASP A 35 -12.375 1.647 -6.921 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.137 2.533 -7.285 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.248 1.717 -6.482 1.00 0.00 O ATOM 0 H ASP A 35 -14.669 0.816 -5.438 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.516 0.678 -8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.728 -0.276 -6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.255 -0.327 -7.738 1.00 0.00 H new ATOM 532 N ALA A 36 -15.169 -1.983 -6.653 1.00 0.00 N ATOM 533 CA ALA A 36 -15.588 -3.411 -6.840 1.00 0.00 C ATOM 534 C ALA A 36 -16.453 -3.556 -8.114 1.00 0.00 C ATOM 535 O ALA A 36 -16.466 -4.583 -8.760 1.00 0.00 O ATOM 536 CB ALA A 36 -16.361 -3.824 -5.604 1.00 0.00 C ATOM 0 H ALA A 36 -15.259 -1.622 -5.703 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.718 -4.056 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.683 -4.861 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.722 -3.726 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.235 -3.183 -5.490 1.00 0.00 H new ATOM 542 N SER A 37 -17.124 -2.470 -8.394 1.00 0.00 N ATOM 543 CA SER A 37 -18.048 -2.301 -9.573 1.00 0.00 C ATOM 544 C SER A 37 -17.314 -2.034 -10.911 1.00 0.00 C ATOM 545 O SER A 37 -17.738 -2.477 -11.957 1.00 0.00 O ATOM 546 CB SER A 37 -18.990 -1.112 -9.312 1.00 0.00 C ATOM 547 OG SER A 37 -18.208 0.039 -9.658 1.00 0.00 O ATOM 0 H SER A 37 -17.067 -1.633 -7.814 1.00 0.00 H new ATOM 0 HA SER A 37 -18.586 -3.244 -9.673 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.892 -1.178 -9.920 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.309 -1.078 -8.270 1.00 0.00 H new ATOM 0 HG SER A 37 -17.803 0.415 -8.849 1.00 0.00 H new ATOM 553 N LYS A 38 -16.234 -1.302 -10.849 1.00 0.00 N ATOM 554 CA LYS A 38 -15.454 -0.984 -12.089 1.00 0.00 C ATOM 555 C LYS A 38 -15.005 -2.289 -12.788 1.00 0.00 C ATOM 556 O LYS A 38 -14.643 -3.227 -12.108 1.00 0.00 O ATOM 557 CB LYS A 38 -14.202 -0.135 -11.703 1.00 0.00 C ATOM 558 CG LYS A 38 -14.606 1.266 -11.136 1.00 0.00 C ATOM 559 CD LYS A 38 -14.962 2.236 -12.312 1.00 0.00 C ATOM 560 CE LYS A 38 -15.132 3.680 -11.790 1.00 0.00 C ATOM 561 NZ LYS A 38 -16.441 3.821 -11.067 1.00 0.00 N ATOM 0 H LYS A 38 -15.853 -0.907 -9.989 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.085 -0.419 -12.776 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.613 -0.672 -10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.567 -0.004 -12.579 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.460 1.164 -10.466 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.787 1.680 -10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.176 2.206 -13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.882 1.908 -12.796 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.310 3.931 -11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.091 4.382 -12.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.543 4.796 -10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.222 3.601 -11.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.465 3.164 -10.261 1.00 0.00 H new ATOM 575 N PRO A 39 -15.026 -2.332 -14.105 1.00 0.00 N ATOM 576 CA PRO A 39 -14.483 -3.491 -14.864 1.00 0.00 C ATOM 577 C PRO A 39 -13.065 -3.951 -14.441 1.00 0.00 C ATOM 578 O PRO A 39 -12.487 -3.507 -13.466 1.00 0.00 O ATOM 579 CB PRO A 39 -14.599 -3.025 -16.341 1.00 0.00 C ATOM 580 CG PRO A 39 -14.690 -1.482 -16.252 1.00 0.00 C ATOM 581 CD PRO A 39 -15.559 -1.273 -15.012 1.00 0.00 C ATOM 0 HA PRO A 39 -15.040 -4.407 -14.667 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.734 -3.339 -16.926 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.480 -3.448 -16.823 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.707 -1.023 -16.141 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.145 -1.050 -17.144 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.443 -0.274 -14.592 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.619 -1.408 -15.225 1.00 0.00 H new ATOM 589 N LEU A 40 -12.530 -4.856 -15.207 1.00 0.00 N ATOM 590 CA LEU A 40 -11.171 -5.375 -14.895 1.00 0.00 C ATOM 591 C LEU A 40 -10.111 -4.442 -15.473 1.00 0.00 C ATOM 592 O LEU A 40 -9.219 -4.027 -14.768 1.00 0.00 O ATOM 593 CB LEU A 40 -11.131 -6.804 -15.479 1.00 0.00 C ATOM 594 CG LEU A 40 -11.336 -7.843 -14.346 1.00 0.00 C ATOM 595 CD1 LEU A 40 -11.756 -9.177 -14.989 1.00 0.00 C ATOM 596 CD2 LEU A 40 -9.967 -8.084 -13.675 1.00 0.00 C ATOM 0 H LEU A 40 -12.972 -5.258 -16.033 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.958 -5.414 -13.827 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.908 -6.919 -16.235 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.176 -6.977 -15.975 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.081 -7.491 -13.633 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.906 -9.925 -14.210 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.685 -9.038 -15.542 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.975 -9.514 -15.670 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.079 -8.812 -12.872 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.262 -8.464 -14.414 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.593 -7.146 -13.265 1.00 0.00 H new ATOM 608 N SER A 41 -10.221 -4.108 -16.733 1.00 0.00 N ATOM 609 CA SER A 41 -9.208 -3.194 -17.364 1.00 0.00 C ATOM 610 C SER A 41 -8.828 -1.959 -16.533 1.00 0.00 C ATOM 611 O SER A 41 -7.750 -1.893 -15.978 1.00 0.00 O ATOM 612 CB SER A 41 -9.733 -2.713 -18.738 1.00 0.00 C ATOM 613 OG SER A 41 -8.811 -1.672 -19.069 1.00 0.00 O ATOM 0 H SER A 41 -10.965 -4.425 -17.355 1.00 0.00 H new ATOM 0 HA SER A 41 -8.302 -3.794 -17.450 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.726 -3.513 -19.479 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.757 -2.345 -18.676 1.00 0.00 H new ATOM 0 HG SER A 41 -9.050 -1.288 -19.938 1.00 0.00 H new ATOM 619 N TRP A 42 -9.738 -1.024 -16.457 1.00 0.00 N ATOM 620 CA TRP A 42 -9.473 0.226 -15.692 1.00 0.00 C ATOM 621 C TRP A 42 -8.871 -0.052 -14.304 1.00 0.00 C ATOM 622 O TRP A 42 -7.891 0.559 -13.926 1.00 0.00 O ATOM 623 CB TRP A 42 -10.785 0.963 -15.586 1.00 0.00 C ATOM 624 CG TRP A 42 -10.483 2.415 -15.237 1.00 0.00 C ATOM 625 CD1 TRP A 42 -10.261 3.405 -16.148 1.00 0.00 C ATOM 626 CD2 TRP A 42 -10.406 2.929 -13.994 1.00 0.00 C ATOM 627 NE1 TRP A 42 -10.070 4.455 -15.385 1.00 0.00 N ATOM 628 CE2 TRP A 42 -10.136 4.276 -14.079 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.544 2.333 -12.756 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -10.007 5.037 -12.947 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.415 3.092 -11.615 1.00 0.00 C ATOM 632 CH2 TRP A 42 -10.148 4.444 -11.711 1.00 0.00 C ATOM 0 H TRP A 42 -10.658 -1.074 -16.895 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.729 0.829 -16.212 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.333 0.903 -16.527 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.416 0.510 -14.821 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -10.246 3.341 -17.226 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.878 5.373 -15.785 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.752 1.276 -12.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.796 6.094 -13.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.523 2.630 -10.645 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.049 5.038 -10.815 1.00 0.00 H new ATOM 643 N ARG A 43 -9.511 -0.979 -13.639 1.00 0.00 N ATOM 644 CA ARG A 43 -9.135 -1.449 -12.264 1.00 0.00 C ATOM 645 C ARG A 43 -7.701 -1.999 -12.229 1.00 0.00 C ATOM 646 O ARG A 43 -6.940 -1.684 -11.338 1.00 0.00 O ATOM 647 CB ARG A 43 -10.199 -2.493 -11.888 1.00 0.00 C ATOM 648 CG ARG A 43 -9.880 -3.128 -10.526 1.00 0.00 C ATOM 649 CD ARG A 43 -11.164 -3.574 -9.788 1.00 0.00 C ATOM 650 NE ARG A 43 -12.239 -3.987 -10.768 1.00 0.00 N ATOM 651 CZ ARG A 43 -13.157 -4.795 -10.418 1.00 0.00 C ATOM 652 NH1 ARG A 43 -14.076 -4.375 -9.646 1.00 0.00 N ATOM 653 NH2 ARG A 43 -13.082 -5.970 -10.878 1.00 0.00 N ATOM 0 H ARG A 43 -10.329 -1.458 -14.016 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.125 -0.637 -11.537 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.181 -2.022 -11.854 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.243 -3.267 -12.654 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.226 -3.988 -10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.336 -2.413 -9.909 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.934 -4.407 -9.123 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.530 -2.759 -9.164 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.228 -3.615 -11.718 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.067 -3.408 -9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.823 -5.005 -9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.313 -6.228 -11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.791 -6.661 -10.631 1.00 0.00 H new ATOM 667 N SER A 44 -7.347 -2.821 -13.173 1.00 0.00 N ATOM 668 CA SER A 44 -5.945 -3.376 -13.203 1.00 0.00 C ATOM 669 C SER A 44 -4.986 -2.297 -13.803 1.00 0.00 C ATOM 670 O SER A 44 -3.782 -2.364 -13.626 1.00 0.00 O ATOM 671 CB SER A 44 -5.932 -4.623 -14.078 1.00 0.00 C ATOM 672 OG SER A 44 -6.425 -4.217 -15.352 1.00 0.00 O ATOM 0 H SER A 44 -7.956 -3.139 -13.927 1.00 0.00 H new ATOM 0 HA SER A 44 -5.615 -3.633 -12.196 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.924 -5.030 -14.162 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.557 -5.406 -13.650 1.00 0.00 H new ATOM 0 HG SER A 44 -7.405 -4.248 -15.349 1.00 0.00 H new ATOM 678 N LYS A 45 -5.577 -1.337 -14.497 1.00 0.00 N ATOM 679 CA LYS A 45 -4.869 -0.180 -15.172 1.00 0.00 C ATOM 680 C LYS A 45 -4.462 0.819 -14.063 1.00 0.00 C ATOM 681 O LYS A 45 -3.275 0.948 -13.865 1.00 0.00 O ATOM 682 CB LYS A 45 -5.862 0.420 -16.190 1.00 0.00 C ATOM 683 CG LYS A 45 -5.218 1.519 -17.048 1.00 0.00 C ATOM 684 CD LYS A 45 -6.345 2.276 -17.829 1.00 0.00 C ATOM 685 CE LYS A 45 -6.765 3.616 -17.175 1.00 0.00 C ATOM 686 NZ LYS A 45 -7.192 3.455 -15.741 1.00 0.00 N ATOM 0 H LYS A 45 -6.588 -1.310 -14.630 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.965 -0.469 -15.708 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.238 -0.371 -16.838 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.720 0.832 -15.659 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.664 2.214 -16.417 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.503 1.083 -17.746 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.003 2.470 -18.846 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.219 1.629 -17.905 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.931 4.317 -17.225 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.584 4.053 -17.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.152 4.377 -15.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.165 3.089 -15.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.555 2.787 -15.262 1.00 0.00 H new ATOM 700 N TYR A 46 -5.349 1.499 -13.372 1.00 0.00 N ATOM 701 CA TYR A 46 -4.921 2.457 -12.267 1.00 0.00 C ATOM 702 C TYR A 46 -5.995 2.515 -11.151 1.00 0.00 C ATOM 703 O TYR A 46 -7.057 1.964 -11.337 1.00 0.00 O ATOM 704 CB TYR A 46 -4.661 3.919 -12.753 1.00 0.00 C ATOM 705 CG TYR A 46 -3.647 3.958 -13.913 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.357 3.491 -13.747 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.017 4.441 -15.144 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.450 3.496 -14.789 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.123 4.451 -16.192 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.835 3.975 -16.024 1.00 0.00 C ATOM 711 OH TYR A 46 -0.957 3.952 -17.087 1.00 0.00 O ATOM 0 H TYR A 46 -6.357 1.440 -13.517 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.978 2.055 -11.898 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.600 4.369 -13.075 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.288 4.519 -11.922 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.051 3.114 -12.782 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.019 4.817 -15.292 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.446 3.127 -14.638 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.431 4.834 -17.154 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.394 4.327 -17.880 1.00 0.00 H new ATOM 721 N GLY A 47 -5.725 3.171 -10.041 1.00 0.00 N ATOM 722 CA GLY A 47 -6.756 3.209 -8.939 1.00 0.00 C ATOM 723 C GLY A 47 -6.606 1.824 -8.242 1.00 0.00 C ATOM 724 O GLY A 47 -7.562 1.079 -8.152 1.00 0.00 O ATOM 0 H GLY A 47 -4.857 3.672 -9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.570 4.028 -8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.761 3.350 -9.336 1.00 0.00 H new ATOM 728 N TRP A 48 -5.412 1.490 -7.777 1.00 0.00 N ATOM 729 CA TRP A 48 -5.220 0.161 -7.110 1.00 0.00 C ATOM 730 C TRP A 48 -4.047 -0.126 -6.112 1.00 0.00 C ATOM 731 O TRP A 48 -3.293 -1.064 -6.261 1.00 0.00 O ATOM 732 CB TRP A 48 -5.218 -0.931 -8.274 1.00 0.00 C ATOM 733 CG TRP A 48 -5.474 -2.288 -7.603 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.504 -3.130 -7.186 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.668 -2.791 -7.265 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.170 -4.102 -6.594 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.483 -3.971 -6.604 1.00 0.00 C ATOM 738 CE3 TRP A 48 -7.946 -2.328 -7.505 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.563 -4.676 -6.183 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.050 -3.055 -7.077 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.852 -4.249 -6.406 1.00 0.00 C ATOM 0 H TRP A 48 -4.578 2.075 -7.832 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.045 0.136 -6.398 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.990 -0.712 -9.012 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.264 -0.933 -8.801 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.436 -3.031 -7.308 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.704 -4.898 -6.159 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.089 -1.394 -8.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.406 -5.605 -5.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.050 -2.693 -7.266 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.693 -4.834 -6.064 1.00 0.00 H new ATOM 752 N THR A 49 -3.862 0.682 -5.118 1.00 0.00 N ATOM 753 CA THR A 49 -2.751 0.376 -4.139 1.00 0.00 C ATOM 754 C THR A 49 -3.194 0.916 -2.812 1.00 0.00 C ATOM 755 O THR A 49 -4.008 1.826 -2.765 1.00 0.00 O ATOM 756 CB THR A 49 -1.349 1.027 -4.436 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.384 2.449 -4.377 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.813 0.646 -5.793 1.00 0.00 C ATOM 0 H THR A 49 -4.406 1.524 -4.928 1.00 0.00 H new ATOM 0 HA THR A 49 -2.597 -0.702 -4.193 1.00 0.00 H new ATOM 0 HB THR A 49 -0.696 0.639 -3.654 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.827 2.799 -5.178 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.156 1.121 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.699 -0.437 -5.848 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.508 0.978 -6.565 1.00 0.00 H new ATOM 766 N ALA A 50 -2.643 0.324 -1.789 1.00 0.00 N ATOM 767 CA ALA A 50 -3.004 0.775 -0.426 1.00 0.00 C ATOM 768 C ALA A 50 -1.869 1.709 0.014 1.00 0.00 C ATOM 769 O ALA A 50 -0.775 1.236 0.250 1.00 0.00 O ATOM 770 CB ALA A 50 -3.124 -0.481 0.439 1.00 0.00 C ATOM 0 H ALA A 50 -1.969 -0.440 -1.840 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.948 1.314 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.390 -0.197 1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.897 -1.132 0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.171 -1.010 0.447 1.00 0.00 H new ATOM 776 N PHE A 51 -2.133 2.990 0.116 1.00 0.00 N ATOM 777 CA PHE A 51 -1.054 3.934 0.535 1.00 0.00 C ATOM 778 C PHE A 51 -1.072 4.151 2.069 1.00 0.00 C ATOM 779 O PHE A 51 -2.085 4.061 2.736 1.00 0.00 O ATOM 780 CB PHE A 51 -1.259 5.322 -0.217 1.00 0.00 C ATOM 781 CG PHE A 51 -2.506 6.082 0.294 1.00 0.00 C ATOM 782 CD1 PHE A 51 -3.749 5.843 -0.247 1.00 0.00 C ATOM 783 CD2 PHE A 51 -2.405 7.023 1.304 1.00 0.00 C ATOM 784 CE1 PHE A 51 -4.864 6.514 0.195 1.00 0.00 C ATOM 785 CE2 PHE A 51 -3.521 7.700 1.753 1.00 0.00 C ATOM 786 CZ PHE A 51 -4.754 7.447 1.198 1.00 0.00 C ATOM 0 H PHE A 51 -3.040 3.417 -0.071 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.087 3.508 0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.374 5.943 -0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.358 5.143 -1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.850 5.112 -1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.442 7.230 1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.828 6.308 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.426 8.431 2.543 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.628 7.977 1.547 1.00 0.00 H new ATOM 796 N CYS A 52 0.074 4.428 2.615 1.00 0.00 N ATOM 797 CA CYS A 52 0.128 4.663 4.094 1.00 0.00 C ATOM 798 C CYS A 52 -0.061 6.178 4.241 1.00 0.00 C ATOM 799 O CYS A 52 -0.825 6.606 5.078 1.00 0.00 O ATOM 800 CB CYS A 52 1.489 4.178 4.634 1.00 0.00 C ATOM 801 SG CYS A 52 1.790 2.395 4.542 1.00 0.00 S ATOM 0 H CYS A 52 0.963 4.503 2.120 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.630 4.122 4.661 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.279 4.689 4.083 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.575 4.488 5.676 1.00 0.00 H new ATOM 806 N GLY A 53 0.643 6.920 3.416 1.00 0.00 N ATOM 807 CA GLY A 53 0.567 8.427 3.411 1.00 0.00 C ATOM 808 C GLY A 53 1.720 9.262 3.986 1.00 0.00 C ATOM 809 O GLY A 53 1.460 10.402 4.309 1.00 0.00 O ATOM 0 H GLY A 53 1.287 6.536 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.427 8.740 2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.336 8.707 3.954 1.00 0.00 H new ATOM 813 N PRO A 54 2.939 8.773 4.092 1.00 0.00 N ATOM 814 CA PRO A 54 3.962 9.373 5.015 1.00 0.00 C ATOM 815 C PRO A 54 4.059 10.897 4.781 1.00 0.00 C ATOM 816 O PRO A 54 4.177 11.681 5.701 1.00 0.00 O ATOM 817 CB PRO A 54 5.244 8.556 4.701 1.00 0.00 C ATOM 818 CG PRO A 54 4.982 7.997 3.282 1.00 0.00 C ATOM 819 CD PRO A 54 3.484 7.634 3.309 1.00 0.00 C ATOM 0 HA PRO A 54 3.733 9.306 6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.135 9.183 4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.397 7.756 5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.202 8.737 2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.602 7.126 3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.054 7.576 2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.299 6.674 3.791 1.00 0.00 H new ATOM 827 N ALA A 55 4.008 11.236 3.521 1.00 0.00 N ATOM 828 CA ALA A 55 4.071 12.669 3.082 1.00 0.00 C ATOM 829 C ALA A 55 2.981 12.914 1.995 1.00 0.00 C ATOM 830 O ALA A 55 3.197 13.566 0.983 1.00 0.00 O ATOM 831 CB ALA A 55 5.503 12.918 2.559 1.00 0.00 C ATOM 0 H ALA A 55 3.923 10.566 2.756 1.00 0.00 H new ATOM 0 HA ALA A 55 3.868 13.366 3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.595 13.952 2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.220 12.728 3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.706 12.250 1.722 1.00 0.00 H new ATOM 837 N GLY A 56 1.812 12.370 2.242 1.00 0.00 N ATOM 838 CA GLY A 56 0.680 12.542 1.240 1.00 0.00 C ATOM 839 C GLY A 56 -0.730 12.034 1.630 1.00 0.00 C ATOM 840 O GLY A 56 -1.077 10.921 1.283 1.00 0.00 O ATOM 0 H GLY A 56 1.583 11.823 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.599 13.604 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.972 12.038 0.319 1.00 0.00 H new ATOM 844 N PRO A 57 -1.516 12.833 2.315 1.00 0.00 N ATOM 845 CA PRO A 57 -2.868 12.404 2.757 1.00 0.00 C ATOM 846 C PRO A 57 -3.937 12.743 1.691 1.00 0.00 C ATOM 847 O PRO A 57 -4.421 13.851 1.564 1.00 0.00 O ATOM 848 CB PRO A 57 -3.028 13.151 4.093 1.00 0.00 C ATOM 849 CG PRO A 57 -2.124 14.435 3.957 1.00 0.00 C ATOM 850 CD PRO A 57 -1.176 14.208 2.744 1.00 0.00 C ATOM 0 HA PRO A 57 -2.993 11.329 2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.069 13.419 4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.709 12.532 4.931 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.738 15.323 3.804 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.549 14.598 4.869 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.353 14.935 1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.127 14.295 3.028 1.00 0.00 H new ATOM 858 N ARG A 58 -4.275 11.724 0.948 1.00 0.00 N ATOM 859 CA ARG A 58 -5.284 11.828 -0.133 1.00 0.00 C ATOM 860 C ARG A 58 -6.111 10.533 -0.152 1.00 0.00 C ATOM 861 O ARG A 58 -5.670 9.536 -0.688 1.00 0.00 O ATOM 862 CB ARG A 58 -4.441 12.094 -1.370 1.00 0.00 C ATOM 863 CG ARG A 58 -5.237 12.982 -2.375 1.00 0.00 C ATOM 864 CD ARG A 58 -4.283 13.513 -3.441 1.00 0.00 C ATOM 865 NE ARG A 58 -5.008 14.656 -4.096 1.00 0.00 N ATOM 866 CZ ARG A 58 -4.821 15.873 -3.724 1.00 0.00 C ATOM 867 NH1 ARG A 58 -3.656 16.328 -3.479 1.00 0.00 N ATOM 868 NH2 ARG A 58 -5.859 16.603 -3.611 1.00 0.00 N ATOM 0 H ARG A 58 -3.875 10.792 1.054 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.029 12.617 -0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.513 12.591 -1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.166 11.151 -1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.034 12.401 -2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.712 13.811 -1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.345 13.846 -2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.035 12.738 -4.167 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.663 14.462 -4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.841 15.722 -3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.539 17.298 -3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.780 16.214 -3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.769 17.576 -3.319 1.00 0.00 H new ATOM 882 N GLY A 59 -7.274 10.575 0.448 1.00 0.00 N ATOM 883 CA GLY A 59 -8.147 9.343 0.464 1.00 0.00 C ATOM 884 C GLY A 59 -9.303 9.493 -0.530 1.00 0.00 C ATOM 885 O GLY A 59 -9.096 9.345 -1.718 1.00 0.00 O ATOM 0 H GLY A 59 -7.659 11.391 0.923 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.553 8.465 0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.541 9.182 1.468 1.00 0.00 H new ATOM 889 N GLN A 60 -10.490 9.773 -0.058 1.00 0.00 N ATOM 890 CA GLN A 60 -11.672 9.936 -0.988 1.00 0.00 C ATOM 891 C GLN A 60 -11.304 10.508 -2.400 1.00 0.00 C ATOM 892 O GLN A 60 -11.501 9.897 -3.433 1.00 0.00 O ATOM 893 CB GLN A 60 -12.714 10.869 -0.286 1.00 0.00 C ATOM 894 CG GLN A 60 -13.176 10.250 1.087 1.00 0.00 C ATOM 895 CD GLN A 60 -14.302 11.048 1.777 1.00 0.00 C ATOM 896 OE1 GLN A 60 -14.667 10.785 2.901 1.00 0.00 O ATOM 897 NE2 GLN A 60 -14.910 12.029 1.194 1.00 0.00 N ATOM 0 H GLN A 60 -10.703 9.898 0.932 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.080 8.943 -1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.275 11.852 -0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.578 11.012 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.517 9.228 0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.318 10.194 1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.648 12.300 0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.651 12.532 1.682 1.00 0.00 H new ATOM 906 N ALA A 61 -10.735 11.687 -2.397 1.00 0.00 N ATOM 907 CA ALA A 61 -10.332 12.370 -3.675 1.00 0.00 C ATOM 908 C ALA A 61 -8.930 11.970 -4.237 1.00 0.00 C ATOM 909 O ALA A 61 -8.171 12.754 -4.785 1.00 0.00 O ATOM 910 CB ALA A 61 -10.443 13.877 -3.365 1.00 0.00 C ATOM 0 H ALA A 61 -10.527 12.218 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.987 12.056 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.165 14.452 -4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.469 14.116 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.774 14.130 -2.543 1.00 0.00 H new ATOM 916 N ALA A 62 -8.665 10.708 -4.043 1.00 0.00 N ATOM 917 CA ALA A 62 -7.404 10.042 -4.493 1.00 0.00 C ATOM 918 C ALA A 62 -7.778 8.772 -5.311 1.00 0.00 C ATOM 919 O ALA A 62 -7.022 8.328 -6.158 1.00 0.00 O ATOM 920 CB ALA A 62 -6.587 9.670 -3.256 1.00 0.00 C ATOM 0 H ALA A 62 -9.307 10.076 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.812 10.705 -5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.662 9.182 -3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.351 10.572 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.164 8.990 -2.630 1.00 0.00 H new ATOM 926 N CYS A 63 -8.945 8.225 -5.054 1.00 0.00 N ATOM 927 CA CYS A 63 -9.417 6.984 -5.780 1.00 0.00 C ATOM 928 C CYS A 63 -9.609 7.145 -7.343 1.00 0.00 C ATOM 929 O CYS A 63 -10.360 6.442 -7.993 1.00 0.00 O ATOM 930 CB CYS A 63 -10.742 6.554 -5.044 1.00 0.00 C ATOM 931 SG CYS A 63 -11.292 4.839 -5.251 1.00 0.00 S ATOM 0 H CYS A 63 -9.604 8.586 -4.364 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.646 6.215 -5.732 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.611 6.739 -3.978 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.544 7.209 -5.385 1.00 0.00 H new ATOM 936 N GLY A 64 -8.908 8.103 -7.902 1.00 0.00 N ATOM 937 CA GLY A 64 -8.932 8.410 -9.366 1.00 0.00 C ATOM 938 C GLY A 64 -7.531 8.868 -9.810 1.00 0.00 C ATOM 939 O GLY A 64 -7.368 9.352 -10.914 1.00 0.00 O ATOM 0 H GLY A 64 -8.288 8.715 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.235 7.528 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.665 9.189 -9.574 1.00 0.00 H new ATOM 943 N LYS A 65 -6.553 8.696 -8.950 1.00 0.00 N ATOM 944 CA LYS A 65 -5.157 9.116 -9.285 1.00 0.00 C ATOM 945 C LYS A 65 -4.153 7.953 -9.274 1.00 0.00 C ATOM 946 O LYS A 65 -4.433 6.839 -8.878 1.00 0.00 O ATOM 947 CB LYS A 65 -4.713 10.213 -8.270 1.00 0.00 C ATOM 948 CG LYS A 65 -5.488 11.536 -8.545 1.00 0.00 C ATOM 949 CD LYS A 65 -4.633 12.685 -7.955 1.00 0.00 C ATOM 950 CE LYS A 65 -5.188 14.073 -8.275 1.00 0.00 C ATOM 951 NZ LYS A 65 -5.269 14.272 -9.760 1.00 0.00 N ATOM 0 H LYS A 65 -6.665 8.280 -8.025 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.163 9.502 -10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.902 9.876 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.640 10.386 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.642 11.679 -9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.474 11.510 -8.081 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.572 12.566 -6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.617 12.609 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.177 14.188 -7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.550 14.838 -7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.417 15.280 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.383 13.954 -10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.064 13.720 -10.141 1.00 0.00 H new ATOM 965 N CYS A 66 -2.981 8.304 -9.717 1.00 0.00 N ATOM 966 CA CYS A 66 -1.841 7.357 -9.812 1.00 0.00 C ATOM 967 C CYS A 66 -0.633 7.849 -8.957 1.00 0.00 C ATOM 968 O CYS A 66 -0.567 8.974 -8.504 1.00 0.00 O ATOM 969 CB CYS A 66 -1.548 7.274 -11.319 1.00 0.00 C ATOM 970 SG CYS A 66 -2.706 6.296 -12.312 1.00 0.00 S ATOM 0 H CYS A 66 -2.760 9.249 -10.030 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.058 6.368 -9.407 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.526 8.288 -11.719 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.549 6.858 -11.450 1.00 0.00 H new ATOM 975 N LEU A 67 0.331 7.009 -8.731 1.00 0.00 N ATOM 976 CA LEU A 67 1.523 7.461 -7.914 1.00 0.00 C ATOM 977 C LEU A 67 2.751 7.094 -8.753 1.00 0.00 C ATOM 978 O LEU A 67 2.782 6.003 -9.276 1.00 0.00 O ATOM 979 CB LEU A 67 1.468 6.714 -6.523 1.00 0.00 C ATOM 980 CG LEU A 67 1.580 7.726 -5.352 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.239 7.019 -4.024 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.004 8.224 -5.208 1.00 0.00 C ATOM 0 H LEU A 67 0.362 6.045 -9.062 1.00 0.00 H new ATOM 0 HA LEU A 67 1.545 8.529 -7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.535 6.157 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.279 5.988 -6.462 1.00 0.00 H new ATOM 0 HG LEU A 67 0.899 8.550 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.318 7.731 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.222 6.629 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.936 6.197 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.060 8.932 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.666 7.381 -5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.312 8.717 -6.130 1.00 0.00 H new ATOM 994 N ARG A 68 3.738 7.926 -8.891 1.00 0.00 N ATOM 995 CA ARG A 68 4.887 7.484 -9.725 1.00 0.00 C ATOM 996 C ARG A 68 5.906 6.935 -8.734 1.00 0.00 C ATOM 997 O ARG A 68 6.250 7.579 -7.755 1.00 0.00 O ATOM 998 CB ARG A 68 5.428 8.703 -10.502 1.00 0.00 C ATOM 999 CG ARG A 68 6.692 8.292 -11.324 1.00 0.00 C ATOM 1000 CD ARG A 68 7.162 9.523 -12.103 1.00 0.00 C ATOM 1001 NE ARG A 68 8.537 9.234 -12.653 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.667 8.754 -13.826 1.00 0.00 C ATOM 1003 NH1 ARG A 68 8.250 9.461 -14.805 1.00 0.00 N ATOM 1004 NH2 ARG A 68 9.201 7.599 -13.914 1.00 0.00 N ATOM 0 H ARG A 68 3.803 8.858 -8.482 1.00 0.00 H new ATOM 0 HA ARG A 68 4.630 6.725 -10.464 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.659 9.090 -11.170 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.680 9.505 -9.808 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.480 7.935 -10.661 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.456 7.475 -12.006 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.468 9.749 -12.913 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.188 10.397 -11.453 1.00 0.00 H new ATOM 0 HE ARG A 68 9.363 9.423 -12.085 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.831 10.375 -14.632 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.336 9.112 -15.759 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.499 7.109 -13.070 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.330 7.165 -14.828 1.00 0.00 H new ATOM 1018 N VAL A 69 6.329 5.742 -9.063 1.00 0.00 N ATOM 1019 CA VAL A 69 7.327 4.992 -8.256 1.00 0.00 C ATOM 1020 C VAL A 69 8.505 4.665 -9.186 1.00 0.00 C ATOM 1021 O VAL A 69 8.360 4.042 -10.222 1.00 0.00 O ATOM 1022 CB VAL A 69 6.683 3.687 -7.728 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.665 2.947 -6.802 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.427 4.011 -6.928 1.00 0.00 C ATOM 0 H VAL A 69 6.008 5.241 -9.892 1.00 0.00 H new ATOM 0 HA VAL A 69 7.667 5.576 -7.401 1.00 0.00 H new ATOM 0 HB VAL A 69 6.433 3.060 -8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.201 2.031 -6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.571 2.699 -7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.920 3.586 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.981 3.087 -6.561 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.688 4.649 -6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.712 4.530 -7.567 1.00 0.00 H new ATOM 1034 N THR A 70 9.639 5.122 -8.736 1.00 0.00 N ATOM 1035 CA THR A 70 10.941 4.927 -9.469 1.00 0.00 C ATOM 1036 C THR A 70 11.947 4.311 -8.472 1.00 0.00 C ATOM 1037 O THR A 70 11.926 4.651 -7.299 1.00 0.00 O ATOM 1038 CB THR A 70 11.447 6.301 -9.994 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.651 6.616 -11.147 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.894 6.184 -10.491 1.00 0.00 C ATOM 0 H THR A 70 9.729 5.641 -7.862 1.00 0.00 H new ATOM 0 HA THR A 70 10.820 4.265 -10.326 1.00 0.00 H new ATOM 0 HB THR A 70 11.383 7.045 -9.200 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.934 7.480 -11.514 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.233 7.154 -10.855 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.535 5.860 -9.671 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.943 5.455 -11.300 1.00 0.00 H new ATOM 1048 N ASN A 71 12.797 3.435 -8.965 1.00 0.00 N ATOM 1049 CA ASN A 71 13.842 2.735 -8.109 1.00 0.00 C ATOM 1050 C ASN A 71 15.387 2.942 -8.357 1.00 0.00 C ATOM 1051 O ASN A 71 15.911 2.345 -9.287 1.00 0.00 O ATOM 1052 CB ASN A 71 13.526 1.256 -8.212 1.00 0.00 C ATOM 1053 CG ASN A 71 14.462 0.466 -7.300 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.515 0.669 -6.112 1.00 0.00 O ATOM 1055 ND2 ASN A 71 15.244 -0.450 -7.746 1.00 0.00 N ATOM 0 H ASN A 71 12.818 3.163 -9.948 1.00 0.00 H new ATOM 0 HA ASN A 71 13.739 3.211 -7.134 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.489 1.075 -7.930 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.639 0.921 -9.243 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.858 -0.953 -7.105 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.251 -0.674 -8.741 1.00 0.00 H new ATOM 1062 N PRO A 72 16.072 3.720 -7.533 1.00 0.00 N ATOM 1063 CA PRO A 72 17.400 4.311 -7.908 1.00 0.00 C ATOM 1064 C PRO A 72 18.310 3.228 -8.561 1.00 0.00 C ATOM 1065 O PRO A 72 18.499 3.206 -9.759 1.00 0.00 O ATOM 1066 CB PRO A 72 17.975 4.877 -6.581 1.00 0.00 C ATOM 1067 CG PRO A 72 16.920 4.594 -5.465 1.00 0.00 C ATOM 1068 CD PRO A 72 15.634 4.069 -6.143 1.00 0.00 C ATOM 0 HA PRO A 72 17.324 5.101 -8.655 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.927 4.403 -6.340 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.165 5.947 -6.669 1.00 0.00 H new ATOM 0 HG2 PRO A 72 17.303 3.860 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.709 5.503 -4.901 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.234 3.200 -5.621 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.849 4.826 -6.150 1.00 0.00 H new ATOM 1076 N ALA A 73 18.826 2.366 -7.720 1.00 0.00 N ATOM 1077 CA ALA A 73 19.728 1.219 -8.088 1.00 0.00 C ATOM 1078 C ALA A 73 19.552 0.644 -9.508 1.00 0.00 C ATOM 1079 O ALA A 73 20.488 0.457 -10.255 1.00 0.00 O ATOM 1080 CB ALA A 73 19.493 0.116 -7.032 1.00 0.00 C ATOM 0 H ALA A 73 18.644 2.415 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 73 20.749 1.602 -8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 73 20.127 -0.742 -7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.739 0.501 -6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.447 -0.190 -7.052 1.00 0.00 H new ATOM 1086 N THR A 74 18.315 0.377 -9.816 1.00 0.00 N ATOM 1087 CA THR A 74 17.967 -0.196 -11.163 1.00 0.00 C ATOM 1088 C THR A 74 17.551 0.871 -12.169 1.00 0.00 C ATOM 1089 O THR A 74 17.600 0.648 -13.360 1.00 0.00 O ATOM 1090 CB THR A 74 16.809 -1.221 -11.016 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.738 -0.503 -10.409 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.137 -2.320 -9.984 1.00 0.00 C ATOM 0 H THR A 74 17.520 0.529 -9.195 1.00 0.00 H new ATOM 0 HA THR A 74 18.869 -0.678 -11.541 1.00 0.00 H new ATOM 0 HB THR A 74 16.607 -1.662 -11.992 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.894 -0.973 -10.574 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.300 -3.015 -9.914 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.031 -2.859 -10.298 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.313 -1.864 -9.010 1.00 0.00 H new ATOM 1100 N GLY A 75 17.143 2.016 -11.687 1.00 0.00 N ATOM 1101 CA GLY A 75 16.712 3.123 -12.604 1.00 0.00 C ATOM 1102 C GLY A 75 15.367 2.806 -13.251 1.00 0.00 C ATOM 1103 O GLY A 75 14.919 3.514 -14.127 1.00 0.00 O ATOM 0 H GLY A 75 17.088 2.237 -10.693 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.639 4.056 -12.045 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.465 3.273 -13.378 1.00 0.00 H new ATOM 1107 N ALA A 76 14.747 1.754 -12.790 1.00 0.00 N ATOM 1108 CA ALA A 76 13.421 1.339 -13.347 1.00 0.00 C ATOM 1109 C ALA A 76 12.281 2.110 -12.641 1.00 0.00 C ATOM 1110 O ALA A 76 12.463 2.638 -11.562 1.00 0.00 O ATOM 1111 CB ALA A 76 13.310 -0.189 -13.137 1.00 0.00 C ATOM 0 H ALA A 76 15.103 1.157 -12.044 1.00 0.00 H new ATOM 0 HA ALA A 76 13.336 1.573 -14.408 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.356 -0.542 -13.528 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.124 -0.688 -13.662 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.371 -0.415 -12.073 1.00 0.00 H new ATOM 1117 N GLN A 77 11.137 2.147 -13.275 1.00 0.00 N ATOM 1118 CA GLN A 77 9.948 2.866 -12.712 1.00 0.00 C ATOM 1119 C GLN A 77 8.560 2.341 -13.187 1.00 0.00 C ATOM 1120 O GLN A 77 8.414 1.836 -14.278 1.00 0.00 O ATOM 1121 CB GLN A 77 10.164 4.378 -13.072 1.00 0.00 C ATOM 1122 CG GLN A 77 10.720 4.554 -14.536 1.00 0.00 C ATOM 1123 CD GLN A 77 9.773 3.929 -15.547 1.00 0.00 C ATOM 1124 OE1 GLN A 77 8.710 4.440 -15.820 1.00 0.00 O ATOM 1125 NE2 GLN A 77 10.115 2.822 -16.125 1.00 0.00 N ATOM 0 H GLN A 77 10.971 1.701 -14.177 1.00 0.00 H new ATOM 0 HA GLN A 77 9.901 2.692 -11.637 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.220 4.914 -12.974 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.860 4.826 -12.362 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.849 5.614 -14.757 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.703 4.090 -14.616 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.009 2.385 -15.901 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.491 2.387 -16.804 1.00 0.00 H new ATOM 1134 N ILE A 78 7.584 2.482 -12.332 1.00 0.00 N ATOM 1135 CA ILE A 78 6.170 2.055 -12.591 1.00 0.00 C ATOM 1136 C ILE A 78 5.192 3.135 -12.054 1.00 0.00 C ATOM 1137 O ILE A 78 5.575 4.071 -11.372 1.00 0.00 O ATOM 1138 CB ILE A 78 5.967 0.707 -11.885 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.936 -0.162 -12.645 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.528 0.856 -10.410 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.668 -0.907 -13.787 1.00 0.00 C ATOM 0 H ILE A 78 7.715 2.900 -11.411 1.00 0.00 H new ATOM 0 HA ILE A 78 5.973 1.944 -13.657 1.00 0.00 H new ATOM 0 HB ILE A 78 6.940 0.216 -11.889 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.468 -0.875 -11.966 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.139 0.462 -13.050 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.401 -0.132 -9.967 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.289 1.407 -9.858 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.583 1.398 -10.364 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.956 -1.525 -14.334 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.115 -0.182 -14.466 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.449 -1.540 -13.366 1.00 0.00 H new ATOM 1153 N THR A 79 3.937 2.995 -12.372 1.00 0.00 N ATOM 1154 CA THR A 79 2.884 3.969 -11.912 1.00 0.00 C ATOM 1155 C THR A 79 1.876 3.232 -11.023 1.00 0.00 C ATOM 1156 O THR A 79 1.202 2.335 -11.499 1.00 0.00 O ATOM 1157 CB THR A 79 2.212 4.542 -13.163 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.268 5.256 -13.789 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.195 5.612 -12.836 1.00 0.00 C ATOM 0 H THR A 79 3.579 2.231 -12.945 1.00 0.00 H new ATOM 0 HA THR A 79 3.313 4.782 -11.326 1.00 0.00 H new ATOM 0 HB THR A 79 1.727 3.746 -13.727 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.940 5.668 -14.615 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.749 5.984 -13.758 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.416 5.191 -12.200 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.686 6.433 -12.314 1.00 0.00 H new ATOM 1167 N ALA A 80 1.764 3.615 -9.780 1.00 0.00 N ATOM 1168 CA ALA A 80 0.792 2.908 -8.876 1.00 0.00 C ATOM 1169 C ALA A 80 -0.594 3.441 -9.147 1.00 0.00 C ATOM 1170 O ALA A 80 -0.743 4.534 -9.661 1.00 0.00 O ATOM 1171 CB ALA A 80 1.079 3.182 -7.402 1.00 0.00 C ATOM 0 H ALA A 80 2.292 4.374 -9.350 1.00 0.00 H new ATOM 0 HA ALA A 80 0.881 1.840 -9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.353 2.652 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.084 2.838 -7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.005 4.252 -7.210 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.548 2.639 -8.766 1.00 0.00 N ATOM 1178 CA ARG A 81 -2.936 2.959 -8.946 1.00 0.00 C ATOM 1179 C ARG A 81 -3.236 3.407 -7.489 1.00 0.00 C ATOM 1180 O ARG A 81 -3.102 2.562 -6.637 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.358 1.552 -9.466 1.00 0.00 C ATOM 1182 CG ARG A 81 -2.357 0.971 -10.528 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.749 -0.445 -10.872 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.249 -0.635 -12.259 1.00 0.00 N ATOM 1185 CZ ARG A 81 -1.077 -0.978 -12.591 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -0.069 -0.193 -12.443 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -1.098 -2.150 -13.069 1.00 0.00 N ATOM 0 H ARG A 81 -1.383 1.738 -8.318 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.386 3.708 -9.598 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.427 0.864 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.353 1.616 -9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.364 1.589 -11.426 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.341 0.992 -10.134 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.299 -1.161 -10.185 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.829 -0.584 -10.815 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.914 -0.473 -13.015 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.201 0.738 -12.047 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.863 -0.501 -12.721 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.980 -2.658 -13.134 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.233 -2.586 -13.389 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.638 4.609 -7.185 1.00 0.00 N ATOM 1202 CA ILE A 82 -3.893 4.939 -5.720 1.00 0.00 C ATOM 1203 C ILE A 82 -5.332 4.576 -5.313 1.00 0.00 C ATOM 1204 O ILE A 82 -6.256 5.034 -5.952 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.656 6.447 -5.511 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.212 6.757 -5.977 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -3.879 6.810 -4.002 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -1.879 8.222 -5.706 1.00 0.00 C ATOM 0 H ILE A 82 -3.802 5.366 -7.848 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.213 4.356 -5.098 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.356 7.049 -6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.506 6.112 -5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.111 6.543 -7.041 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.711 7.877 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.901 6.561 -3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.181 6.245 -3.385 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.862 8.431 -6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.576 8.860 -6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.962 8.422 -4.638 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.522 3.766 -4.290 1.00 0.00 N ATOM 1221 CA VAL A 83 -6.943 3.437 -3.931 1.00 0.00 C ATOM 1222 C VAL A 83 -7.284 3.184 -2.439 1.00 0.00 C ATOM 1223 O VAL A 83 -8.181 3.776 -1.873 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.312 2.208 -4.838 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.092 0.825 -4.157 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.745 2.309 -5.295 1.00 0.00 C ATOM 0 H VAL A 83 -4.796 3.339 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.546 4.328 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.628 2.254 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.370 0.030 -4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.042 0.717 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.709 0.758 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.988 1.452 -5.923 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.404 2.322 -4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.881 3.227 -5.867 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.546 2.314 -1.830 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.780 1.958 -0.406 1.00 0.00 C ATOM 1238 C ASP A 84 -5.706 2.558 0.514 1.00 0.00 C ATOM 1239 O ASP A 84 -4.816 3.265 0.080 1.00 0.00 O ATOM 1240 CB ASP A 84 -6.830 0.418 -0.457 1.00 0.00 C ATOM 1241 CG ASP A 84 -7.157 -0.219 0.880 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -8.003 0.304 1.594 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -6.526 -1.232 1.105 1.00 0.00 O ATOM 0 H ASP A 84 -5.769 1.819 -2.267 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.693 2.366 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.576 0.110 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.868 0.042 -0.805 1.00 0.00 H new ATOM 1248 N GLN A 85 -5.819 2.259 1.775 1.00 0.00 N ATOM 1249 CA GLN A 85 -4.828 2.776 2.775 1.00 0.00 C ATOM 1250 C GLN A 85 -4.141 1.598 3.504 1.00 0.00 C ATOM 1251 O GLN A 85 -4.620 0.482 3.486 1.00 0.00 O ATOM 1252 CB GLN A 85 -5.574 3.712 3.785 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.527 5.186 3.225 1.00 0.00 C ATOM 1254 CD GLN A 85 -5.882 6.257 4.267 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -6.612 7.199 4.039 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -5.379 6.186 5.457 1.00 0.00 N ATOM 0 H GLN A 85 -6.558 1.675 2.166 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.050 3.348 2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.607 3.387 3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.102 3.664 4.766 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.528 5.386 2.838 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.216 5.268 2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.759 5.415 5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.603 6.901 6.149 1.00 0.00 H new ATOM 1265 N CYS A 86 -3.026 1.845 4.147 1.00 0.00 N ATOM 1266 CA CYS A 86 -2.325 0.712 4.868 1.00 0.00 C ATOM 1267 C CYS A 86 -2.549 0.757 6.391 1.00 0.00 C ATOM 1268 O CYS A 86 -2.867 1.795 6.933 1.00 0.00 O ATOM 1269 CB CYS A 86 -0.799 0.781 4.547 1.00 0.00 C ATOM 1270 SG CYS A 86 0.386 1.519 5.706 1.00 0.00 S ATOM 0 H CYS A 86 -2.572 2.756 4.210 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.748 -0.229 4.516 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.468 -0.241 4.365 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.698 1.321 3.606 1.00 0.00 H new ATOM 1275 N ALA A 87 -2.379 -0.350 7.060 1.00 0.00 N ATOM 1276 CA ALA A 87 -2.593 -0.347 8.545 1.00 0.00 C ATOM 1277 C ALA A 87 -1.277 -0.441 9.322 1.00 0.00 C ATOM 1278 O ALA A 87 -0.981 0.367 10.177 1.00 0.00 O ATOM 1279 CB ALA A 87 -3.521 -1.537 8.871 1.00 0.00 C ATOM 0 H ALA A 87 -2.106 -1.246 6.656 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.046 0.596 8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.704 -1.572 9.945 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.468 -1.414 8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.047 -2.466 8.553 1.00 0.00 H new ATOM 1285 N ASN A 88 -0.533 -1.447 8.984 1.00 0.00 N ATOM 1286 CA ASN A 88 0.785 -1.711 9.629 1.00 0.00 C ATOM 1287 C ASN A 88 1.969 -1.740 8.636 1.00 0.00 C ATOM 1288 O ASN A 88 2.920 -2.454 8.876 1.00 0.00 O ATOM 1289 CB ASN A 88 0.608 -3.056 10.374 1.00 0.00 C ATOM 1290 CG ASN A 88 -0.181 -4.012 9.479 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -0.127 -3.972 8.269 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -0.943 -4.905 10.010 1.00 0.00 N ATOM 0 H ASN A 88 -0.788 -2.123 8.264 1.00 0.00 H new ATOM 0 HA ASN A 88 1.050 -0.900 10.307 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.580 -3.483 10.619 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.082 -2.900 11.316 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.471 -5.543 9.415 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.018 -4.974 11.025 1.00 0.00 H new ATOM 1299 N GLY A 89 1.908 -0.980 7.569 1.00 0.00 N ATOM 1300 CA GLY A 89 3.046 -0.978 6.572 1.00 0.00 C ATOM 1301 C GLY A 89 2.710 -1.545 5.192 1.00 0.00 C ATOM 1302 O GLY A 89 3.212 -2.596 4.845 1.00 0.00 O ATOM 0 H GLY A 89 1.129 -0.363 7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.397 0.046 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.874 -1.551 6.990 1.00 0.00 H new ATOM 1306 N GLY A 90 1.903 -0.868 4.422 1.00 0.00 N ATOM 1307 CA GLY A 90 1.572 -1.428 3.064 1.00 0.00 C ATOM 1308 C GLY A 90 2.332 -0.701 1.960 1.00 0.00 C ATOM 1309 O GLY A 90 3.543 -0.731 1.930 1.00 0.00 O ATOM 0 H GLY A 90 1.466 0.023 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.817 -2.490 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.500 -1.344 2.886 1.00 0.00 H new ATOM 1313 N LEU A 91 1.547 -0.080 1.119 1.00 0.00 N ATOM 1314 CA LEU A 91 1.935 0.728 -0.089 1.00 0.00 C ATOM 1315 C LEU A 91 1.246 0.027 -1.273 1.00 0.00 C ATOM 1316 O LEU A 91 0.803 0.677 -2.202 1.00 0.00 O ATOM 1317 CB LEU A 91 3.491 0.774 -0.319 1.00 0.00 C ATOM 1318 CG LEU A 91 3.847 1.892 -1.357 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.410 3.293 -0.842 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.372 1.953 -1.524 1.00 0.00 C ATOM 0 H LEU A 91 0.534 -0.106 1.238 1.00 0.00 H new ATOM 0 HA LEU A 91 1.630 1.767 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.001 0.967 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.842 -0.193 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 91 3.336 1.653 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.669 4.050 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.333 3.300 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.922 3.512 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.628 2.729 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.834 2.183 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.738 0.990 -1.882 1.00 0.00 H new ATOM 1332 N ASP A 92 1.198 -1.275 -1.179 1.00 0.00 N ATOM 1333 CA ASP A 92 0.564 -2.178 -2.194 1.00 0.00 C ATOM 1334 C ASP A 92 -0.352 -3.235 -1.457 1.00 0.00 C ATOM 1335 O ASP A 92 -0.073 -3.627 -0.339 1.00 0.00 O ATOM 1336 CB ASP A 92 1.731 -2.822 -2.979 1.00 0.00 C ATOM 1337 CG ASP A 92 2.551 -3.787 -2.141 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.900 -3.412 -1.031 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.764 -4.840 -2.724 1.00 0.00 O ATOM 0 H ASP A 92 1.598 -1.782 -0.389 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.090 -1.651 -2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.331 -3.351 -3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.383 -2.036 -3.359 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.413 -3.666 -2.113 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.351 -4.672 -1.487 1.00 0.00 C ATOM 1346 C LEU A 93 -2.303 -6.083 -2.135 1.00 0.00 C ATOM 1347 O LEU A 93 -2.669 -7.083 -1.560 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.813 -4.072 -1.543 1.00 0.00 C ATOM 1349 CG LEU A 93 -4.486 -3.960 -2.954 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -5.968 -3.608 -2.720 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -3.964 -2.762 -3.775 1.00 0.00 C ATOM 0 H LEU A 93 -1.671 -3.366 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.027 -4.834 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.455 -4.685 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.787 -3.076 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.291 -4.897 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.477 -3.520 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.440 -4.394 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.037 -2.661 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.467 -2.737 -4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.166 -1.836 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.890 -2.866 -3.927 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.853 -6.118 -3.346 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.714 -7.327 -4.158 1.00 0.00 C ATOM 1365 C ASP A 94 -0.326 -8.009 -3.998 1.00 0.00 C ATOM 1366 O ASP A 94 -0.030 -8.645 -3.005 1.00 0.00 O ATOM 1367 CB ASP A 94 -2.055 -6.775 -5.558 1.00 0.00 C ATOM 1368 CG ASP A 94 -1.309 -5.477 -5.770 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -0.130 -5.545 -6.025 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -1.997 -4.491 -5.635 1.00 0.00 O ATOM 0 H ASP A 94 -1.553 -5.276 -3.838 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.359 -8.160 -3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.778 -7.498 -6.325 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.129 -6.611 -5.647 1.00 0.00 H new ATOM 1375 N TRP A 95 0.494 -7.841 -5.000 1.00 0.00 N ATOM 1376 CA TRP A 95 1.870 -8.432 -5.030 1.00 0.00 C ATOM 1377 C TRP A 95 2.640 -8.226 -6.349 1.00 0.00 C ATOM 1378 O TRP A 95 3.832 -7.976 -6.418 1.00 0.00 O ATOM 1379 CB TRP A 95 1.751 -9.899 -4.856 1.00 0.00 C ATOM 1380 CG TRP A 95 3.141 -10.572 -5.050 1.00 0.00 C ATOM 1381 CD1 TRP A 95 4.299 -10.156 -4.451 1.00 0.00 C ATOM 1382 CD2 TRP A 95 3.420 -11.632 -5.839 1.00 0.00 C ATOM 1383 NE1 TRP A 95 5.200 -10.996 -4.926 1.00 0.00 N ATOM 1384 CE2 TRP A 95 4.765 -11.913 -5.760 1.00 0.00 C ATOM 1385 CE3 TRP A 95 2.621 -12.412 -6.646 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 5.317 -12.949 -6.465 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 3.169 -13.459 -7.359 1.00 0.00 C ATOM 1388 CH2 TRP A 95 4.519 -13.728 -7.268 1.00 0.00 C ATOM 0 H TRP A 95 0.260 -7.298 -5.831 1.00 0.00 H new ATOM 0 HA TRP A 95 2.420 -7.923 -4.238 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.363 -10.126 -3.863 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.039 -10.302 -5.576 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.441 -9.340 -3.758 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.183 -10.936 -4.659 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.564 -12.204 -6.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.375 -13.153 -6.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 2.539 -14.069 -7.990 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.947 -14.548 -7.826 1.00 0.00 H new ATOM 1399 N ASP A 96 1.839 -8.358 -7.363 1.00 0.00 N ATOM 1400 CA ASP A 96 2.354 -8.249 -8.773 1.00 0.00 C ATOM 1401 C ASP A 96 2.091 -6.943 -9.514 1.00 0.00 C ATOM 1402 O ASP A 96 2.410 -6.767 -10.672 1.00 0.00 O ATOM 1403 CB ASP A 96 1.739 -9.482 -9.538 1.00 0.00 C ATOM 1404 CG ASP A 96 2.239 -9.573 -10.996 1.00 0.00 C ATOM 1405 OD1 ASP A 96 3.439 -9.477 -11.195 1.00 0.00 O ATOM 1406 OD2 ASP A 96 1.404 -9.742 -11.873 1.00 0.00 O ATOM 0 H ASP A 96 0.838 -8.539 -7.286 1.00 0.00 H new ATOM 0 HA ASP A 96 3.443 -8.251 -8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.996 -10.400 -9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.652 -9.405 -9.533 1.00 0.00 H new ATOM 1411 N THR A 97 1.501 -6.002 -8.866 1.00 0.00 N ATOM 1412 CA THR A 97 1.230 -4.723 -9.576 1.00 0.00 C ATOM 1413 C THR A 97 2.402 -3.716 -9.425 1.00 0.00 C ATOM 1414 O THR A 97 2.858 -3.179 -10.418 1.00 0.00 O ATOM 1415 CB THR A 97 -0.105 -4.257 -9.001 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.305 -3.742 -7.761 1.00 0.00 O ATOM 1417 CG2 THR A 97 -1.054 -5.526 -8.721 1.00 0.00 C ATOM 0 H THR A 97 1.195 -6.049 -7.894 1.00 0.00 H new ATOM 0 HA THR A 97 1.159 -4.830 -10.658 1.00 0.00 H new ATOM 0 HB THR A 97 -0.651 -3.568 -9.646 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.410 -4.476 -7.120 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.005 -5.186 -8.311 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.232 -6.060 -9.654 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.569 -6.193 -8.008 1.00 0.00 H new ATOM 1425 N VAL A 98 2.840 -3.455 -8.217 1.00 0.00 N ATOM 1426 CA VAL A 98 3.978 -2.491 -8.007 1.00 0.00 C ATOM 1427 C VAL A 98 5.395 -3.105 -8.016 1.00 0.00 C ATOM 1428 O VAL A 98 6.171 -2.904 -8.928 1.00 0.00 O ATOM 1429 CB VAL A 98 3.721 -1.735 -6.651 1.00 0.00 C ATOM 1430 CG1 VAL A 98 4.851 -0.720 -6.324 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.426 -0.941 -6.770 1.00 0.00 C ATOM 0 H VAL A 98 2.461 -3.866 -7.364 1.00 0.00 H new ATOM 0 HA VAL A 98 3.980 -1.822 -8.867 1.00 0.00 H new ATOM 0 HB VAL A 98 3.677 -2.486 -5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.631 -0.222 -5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.802 -1.247 -6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.914 0.023 -7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.236 -0.412 -5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.514 -0.221 -7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.600 -1.621 -6.976 1.00 0.00 H new ATOM 1441 N PHE A 99 5.663 -3.857 -6.979 1.00 0.00 N ATOM 1442 CA PHE A 99 6.986 -4.543 -6.755 1.00 0.00 C ATOM 1443 C PHE A 99 7.690 -5.340 -7.875 1.00 0.00 C ATOM 1444 O PHE A 99 8.623 -4.853 -8.474 1.00 0.00 O ATOM 1445 CB PHE A 99 6.803 -5.458 -5.519 1.00 0.00 C ATOM 1446 CG PHE A 99 8.166 -5.666 -4.838 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.805 -4.583 -4.264 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.766 -6.906 -4.778 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.024 -4.731 -3.635 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.988 -7.056 -4.148 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.614 -5.970 -3.579 1.00 0.00 C ATOM 0 H PHE A 99 4.986 -4.035 -6.237 1.00 0.00 H new ATOM 0 HA PHE A 99 7.679 -3.707 -6.658 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.098 -5.008 -4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.384 -6.418 -5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.344 -3.608 -4.309 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.281 -7.762 -5.224 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.512 -3.877 -3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.453 -8.030 -4.102 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.569 -6.092 -3.089 1.00 0.00 H new ATOM 1461 N THR A 100 7.243 -6.525 -8.181 1.00 0.00 N ATOM 1462 CA THR A 100 7.898 -7.375 -9.261 1.00 0.00 C ATOM 1463 C THR A 100 7.759 -6.790 -10.668 1.00 0.00 C ATOM 1464 O THR A 100 8.077 -7.435 -11.653 1.00 0.00 O ATOM 1465 CB THR A 100 7.274 -8.843 -9.220 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.566 -9.127 -10.411 1.00 0.00 O ATOM 1467 CG2 THR A 100 6.057 -8.895 -8.364 1.00 0.00 C ATOM 0 H THR A 100 6.439 -6.963 -7.731 1.00 0.00 H new ATOM 0 HA THR A 100 8.966 -7.399 -9.045 1.00 0.00 H new ATOM 0 HB THR A 100 8.124 -9.470 -8.952 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.124 -8.903 -11.185 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.659 -9.910 -8.359 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.315 -8.602 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.305 -8.212 -8.759 1.00 0.00 H new ATOM 1475 N LYS A 101 7.302 -5.564 -10.707 1.00 0.00 N ATOM 1476 CA LYS A 101 7.109 -4.861 -12.002 1.00 0.00 C ATOM 1477 C LYS A 101 8.113 -3.784 -12.319 1.00 0.00 C ATOM 1478 O LYS A 101 8.147 -3.251 -13.415 1.00 0.00 O ATOM 1479 CB LYS A 101 5.767 -4.189 -12.042 1.00 0.00 C ATOM 1480 CG LYS A 101 4.577 -5.194 -12.004 1.00 0.00 C ATOM 1481 CD LYS A 101 4.654 -6.189 -13.227 1.00 0.00 C ATOM 1482 CE LYS A 101 3.341 -6.994 -13.307 1.00 0.00 C ATOM 1483 NZ LYS A 101 3.398 -7.972 -14.431 1.00 0.00 N ATOM 0 H LYS A 101 7.052 -5.017 -9.883 1.00 0.00 H new ATOM 0 HA LYS A 101 7.222 -5.659 -12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.684 -3.506 -11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.696 -3.586 -12.947 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.597 -5.755 -11.070 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.633 -4.650 -12.029 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.813 -5.635 -14.153 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.502 -6.864 -13.110 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.172 -7.520 -12.367 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.499 -6.316 -13.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.507 -8.506 -14.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.538 -7.463 -15.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.189 -8.630 -14.279 1.00 0.00 H new ATOM 1497 N ILE A 102 8.906 -3.452 -11.358 1.00 0.00 N ATOM 1498 CA ILE A 102 9.898 -2.396 -11.684 1.00 0.00 C ATOM 1499 C ILE A 102 11.102 -3.115 -12.352 1.00 0.00 C ATOM 1500 O ILE A 102 11.265 -2.992 -13.546 1.00 0.00 O ATOM 1501 CB ILE A 102 10.140 -1.633 -10.302 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.281 -2.506 -8.990 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.816 -0.801 -10.156 1.00 0.00 C ATOM 1504 CD1 ILE A 102 11.205 -1.840 -7.948 1.00 0.00 C ATOM 0 H ILE A 102 8.922 -3.834 -10.412 1.00 0.00 H new ATOM 0 HA ILE A 102 9.613 -1.630 -12.405 1.00 0.00 H new ATOM 0 HB ILE A 102 11.093 -1.107 -10.362 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.295 -2.664 -8.552 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.676 -3.488 -9.249 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.851 -0.221 -9.234 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.715 -0.126 -11.006 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.962 -1.478 -10.127 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.273 -2.474 -7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 102 12.199 -1.706 -8.376 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.797 -0.869 -7.668 1.00 0.00 H new ATOM 1516 N ASP A 103 11.916 -3.808 -11.619 1.00 0.00 N ATOM 1517 CA ASP A 103 13.087 -4.537 -12.245 1.00 0.00 C ATOM 1518 C ASP A 103 13.574 -5.646 -11.288 1.00 0.00 C ATOM 1519 O ASP A 103 13.327 -6.835 -11.394 1.00 0.00 O ATOM 1520 CB ASP A 103 14.182 -3.464 -12.575 1.00 0.00 C ATOM 1521 CG ASP A 103 15.436 -4.166 -13.097 1.00 0.00 C ATOM 1522 OD1 ASP A 103 15.381 -4.708 -14.185 1.00 0.00 O ATOM 1523 OD2 ASP A 103 16.378 -4.102 -12.330 1.00 0.00 O ATOM 0 H ASP A 103 11.836 -3.913 -10.608 1.00 0.00 H new ATOM 0 HA ASP A 103 12.816 -5.041 -13.173 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.807 -2.762 -13.320 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.420 -2.885 -11.683 1.00 0.00 H new ATOM 1528 N THR A 104 14.289 -5.077 -10.355 1.00 0.00 N ATOM 1529 CA THR A 104 14.959 -5.752 -9.198 1.00 0.00 C ATOM 1530 C THR A 104 14.212 -7.051 -8.809 1.00 0.00 C ATOM 1531 O THR A 104 13.151 -7.071 -8.211 1.00 0.00 O ATOM 1532 CB THR A 104 15.037 -4.680 -8.010 1.00 0.00 C ATOM 1533 OG1 THR A 104 14.340 -5.154 -6.876 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.197 -3.423 -8.221 1.00 0.00 C ATOM 0 H THR A 104 14.449 -4.070 -10.352 1.00 0.00 H new ATOM 0 HA THR A 104 15.969 -6.074 -9.451 1.00 0.00 H new ATOM 0 HB THR A 104 16.110 -4.502 -7.934 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.560 -5.673 -7.165 1.00 0.00 H new ATOM 0 HG21 THR A 104 14.315 -2.759 -7.365 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.528 -2.912 -9.125 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.148 -3.700 -8.324 1.00 0.00 H new ATOM 1542 N ASN A 105 14.816 -8.153 -9.177 1.00 0.00 N ATOM 1543 CA ASN A 105 14.186 -9.491 -8.867 1.00 0.00 C ATOM 1544 C ASN A 105 14.522 -10.100 -7.476 1.00 0.00 C ATOM 1545 O ASN A 105 13.729 -9.969 -6.567 1.00 0.00 O ATOM 1546 CB ASN A 105 14.609 -10.444 -10.029 1.00 0.00 C ATOM 1547 CG ASN A 105 16.123 -10.503 -10.154 1.00 0.00 C ATOM 1548 OD1 ASN A 105 16.800 -9.523 -10.354 1.00 0.00 O ATOM 1549 ND2 ASN A 105 16.739 -11.627 -10.034 1.00 0.00 N ATOM 0 H ASN A 105 15.707 -8.194 -9.673 1.00 0.00 H new ATOM 0 HA ASN A 105 13.107 -9.352 -8.801 1.00 0.00 H new ATOM 0 HB2 ASN A 105 14.215 -11.444 -9.847 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.175 -10.096 -10.967 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.756 -11.662 -10.109 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.210 -12.483 -9.864 1.00 0.00 H new ATOM 1556 N GLY A 106 15.653 -10.737 -7.293 1.00 0.00 N ATOM 1557 CA GLY A 106 15.966 -11.325 -5.930 1.00 0.00 C ATOM 1558 C GLY A 106 16.553 -10.255 -5.013 1.00 0.00 C ATOM 1559 O GLY A 106 16.447 -10.314 -3.804 1.00 0.00 O ATOM 0 H GLY A 106 16.368 -10.879 -8.007 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.059 -11.736 -5.487 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.671 -12.150 -6.035 1.00 0.00 H new ATOM 1563 N ILE A 107 17.171 -9.305 -5.655 1.00 0.00 N ATOM 1564 CA ILE A 107 17.829 -8.136 -5.011 1.00 0.00 C ATOM 1565 C ILE A 107 17.093 -7.634 -3.748 1.00 0.00 C ATOM 1566 O ILE A 107 17.719 -7.368 -2.743 1.00 0.00 O ATOM 1567 CB ILE A 107 17.929 -7.032 -6.093 1.00 0.00 C ATOM 1568 CG1 ILE A 107 18.969 -7.409 -7.191 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.452 -5.733 -5.441 1.00 0.00 C ATOM 1570 CD1 ILE A 107 18.675 -8.710 -7.961 1.00 0.00 C ATOM 0 H ILE A 107 17.250 -9.295 -6.672 1.00 0.00 H new ATOM 0 HA ILE A 107 18.815 -8.427 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 107 16.938 -6.912 -6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 107 19.030 -6.589 -7.907 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.950 -7.497 -6.723 1.00 0.00 H new ATOM 0 HG21 ILE A 107 18.525 -4.951 -6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.764 -5.417 -4.657 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.436 -5.913 -5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 107 19.458 -8.880 -8.700 1.00 0.00 H new ATOM 0 HD12 ILE A 107 18.647 -9.547 -7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 107 17.712 -8.625 -8.465 1.00 0.00 H new ATOM 1582 N GLY A 108 15.786 -7.510 -3.820 1.00 0.00 N ATOM 1583 CA GLY A 108 14.990 -7.032 -2.629 1.00 0.00 C ATOM 1584 C GLY A 108 14.931 -8.192 -1.630 1.00 0.00 C ATOM 1585 O GLY A 108 15.311 -8.055 -0.480 1.00 0.00 O ATOM 0 H GLY A 108 15.232 -7.718 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.460 -6.158 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.986 -6.733 -2.932 1.00 0.00 H new ATOM 1589 N TYR A 109 14.450 -9.321 -2.097 1.00 0.00 N ATOM 1590 CA TYR A 109 14.347 -10.541 -1.220 1.00 0.00 C ATOM 1591 C TYR A 109 15.620 -10.644 -0.333 1.00 0.00 C ATOM 1592 O TYR A 109 15.512 -10.768 0.868 1.00 0.00 O ATOM 1593 CB TYR A 109 14.191 -11.804 -2.125 1.00 0.00 C ATOM 1594 CG TYR A 109 14.310 -13.027 -1.201 1.00 0.00 C ATOM 1595 CD1 TYR A 109 15.554 -13.551 -0.901 1.00 0.00 C ATOM 1596 CD2 TYR A 109 13.192 -13.599 -0.629 1.00 0.00 C ATOM 1597 CE1 TYR A 109 15.672 -14.622 -0.046 1.00 0.00 C ATOM 1598 CE2 TYR A 109 13.319 -14.671 0.226 1.00 0.00 C ATOM 1599 CZ TYR A 109 14.562 -15.181 0.519 1.00 0.00 C ATOM 1600 OH TYR A 109 14.700 -16.241 1.381 1.00 0.00 O ATOM 0 H TYR A 109 14.121 -9.454 -3.053 1.00 0.00 H new ATOM 0 HA TYR A 109 13.477 -10.469 -0.567 1.00 0.00 H new ATOM 0 HB2 TYR A 109 13.228 -11.797 -2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 109 14.961 -11.825 -2.896 1.00 0.00 H new ATOM 0 HD1 TYR A 109 16.439 -13.116 -1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.212 -13.204 -0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 109 16.649 -15.023 0.180 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.439 -15.113 0.668 1.00 0.00 H new ATOM 0 HH TYR A 109 13.816 -16.523 1.697 1.00 0.00 H new ATOM 1610 N GLN A 110 16.762 -10.590 -0.986 1.00 0.00 N ATOM 1611 CA GLN A 110 18.130 -10.656 -0.322 1.00 0.00 C ATOM 1612 C GLN A 110 18.138 -10.111 1.125 1.00 0.00 C ATOM 1613 O GLN A 110 18.758 -10.664 2.009 1.00 0.00 O ATOM 1614 CB GLN A 110 19.161 -9.832 -1.156 1.00 0.00 C ATOM 1615 CG GLN A 110 19.584 -10.543 -2.479 1.00 0.00 C ATOM 1616 CD GLN A 110 20.594 -11.660 -2.199 1.00 0.00 C ATOM 1617 OE1 GLN A 110 21.762 -11.446 -1.967 1.00 0.00 O ATOM 1618 NE2 GLN A 110 20.217 -12.894 -2.197 1.00 0.00 N ATOM 0 H GLN A 110 16.812 -10.499 -2.001 1.00 0.00 H new ATOM 0 HA GLN A 110 18.397 -11.712 -0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.732 -8.859 -1.394 1.00 0.00 H new ATOM 0 HB3 GLN A 110 20.048 -9.649 -0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 110 18.704 -10.957 -2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 110 20.020 -9.816 -3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 110 19.243 -13.130 -2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 110 20.893 -13.633 -2.006 1.00 0.00 H new ATOM 1627 N GLN A 111 17.439 -9.016 1.289 1.00 0.00 N ATOM 1628 CA GLN A 111 17.305 -8.311 2.608 1.00 0.00 C ATOM 1629 C GLN A 111 15.890 -8.582 3.173 1.00 0.00 C ATOM 1630 O GLN A 111 15.699 -8.750 4.362 1.00 0.00 O ATOM 1631 CB GLN A 111 17.517 -6.784 2.385 1.00 0.00 C ATOM 1632 CG GLN A 111 19.007 -6.444 2.015 1.00 0.00 C ATOM 1633 CD GLN A 111 19.196 -4.955 1.668 1.00 0.00 C ATOM 1634 OE1 GLN A 111 20.291 -4.486 1.463 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.202 -4.127 1.576 1.00 0.00 N ATOM 0 H GLN A 111 16.933 -8.560 0.530 1.00 0.00 H new ATOM 0 HA GLN A 111 18.049 -8.674 3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.858 -6.439 1.588 1.00 0.00 H new ATOM 0 HB3 GLN A 111 17.235 -6.243 3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 111 19.656 -6.706 2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 111 19.317 -7.055 1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.249 -4.454 1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 111 18.373 -3.149 1.343 1.00 0.00 H new ATOM 1644 N GLY A 112 14.934 -8.603 2.278 1.00 0.00 N ATOM 1645 CA GLY A 112 13.497 -8.849 2.627 1.00 0.00 C ATOM 1646 C GLY A 112 12.657 -7.727 2.048 1.00 0.00 C ATOM 1647 O GLY A 112 11.589 -7.920 1.506 1.00 0.00 O ATOM 0 H GLY A 112 15.096 -8.454 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.171 -9.810 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.373 -8.894 3.709 1.00 0.00 H new ATOM 1651 N HIS A 113 13.209 -6.564 2.199 1.00 0.00 N ATOM 1652 CA HIS A 113 12.574 -5.301 1.717 1.00 0.00 C ATOM 1653 C HIS A 113 13.568 -4.388 0.958 1.00 0.00 C ATOM 1654 O HIS A 113 14.775 -4.547 1.003 1.00 0.00 O ATOM 1655 CB HIS A 113 11.978 -4.534 2.959 1.00 0.00 C ATOM 1656 CG HIS A 113 12.225 -5.227 4.313 1.00 0.00 C ATOM 1657 ND1 HIS A 113 11.737 -6.362 4.682 1.00 0.00 N ATOM 1658 CD2 HIS A 113 12.981 -4.828 5.397 1.00 0.00 C ATOM 1659 CE1 HIS A 113 12.143 -6.652 5.887 1.00 0.00 C ATOM 1660 NE2 HIS A 113 12.924 -5.717 6.368 1.00 0.00 N ATOM 0 H HIS A 113 14.111 -6.425 2.655 1.00 0.00 H new ATOM 0 HA HIS A 113 11.788 -5.564 1.009 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.408 -3.533 2.993 1.00 0.00 H new ATOM 0 HB3 HIS A 113 10.904 -4.415 2.816 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.545 -3.908 5.443 1.00 0.00 H new ATOM 0 HE1 HIS A 113 11.870 -7.550 6.421 1.00 0.00 H new ATOM 0 HE2 HIS A 113 13.381 -5.685 7.280 1.00 0.00 H new ATOM 1668 N LEU A 114 12.977 -3.437 0.276 1.00 0.00 N ATOM 1669 CA LEU A 114 13.743 -2.432 -0.513 1.00 0.00 C ATOM 1670 C LEU A 114 13.140 -1.042 -0.173 1.00 0.00 C ATOM 1671 O LEU A 114 12.045 -0.930 0.361 1.00 0.00 O ATOM 1672 CB LEU A 114 13.594 -2.819 -2.014 1.00 0.00 C ATOM 1673 CG LEU A 114 14.313 -1.825 -2.979 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.806 -1.698 -2.630 1.00 0.00 C ATOM 1675 CD2 LEU A 114 14.255 -2.438 -4.381 1.00 0.00 C ATOM 0 H LEU A 114 11.965 -3.316 0.235 1.00 0.00 H new ATOM 0 HA LEU A 114 14.808 -2.402 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.998 -3.820 -2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.535 -2.861 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 114 13.831 -0.850 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.282 -0.999 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.911 -1.331 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 114 16.284 -2.674 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.748 -1.773 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 114 14.761 -3.404 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 114 13.214 -2.575 -4.676 1.00 0.00 H new ATOM 1687 N ASN A 115 13.873 -0.007 -0.494 1.00 0.00 N ATOM 1688 CA ASN A 115 13.399 1.387 -0.215 1.00 0.00 C ATOM 1689 C ASN A 115 13.336 2.065 -1.593 1.00 0.00 C ATOM 1690 O ASN A 115 14.329 2.170 -2.288 1.00 0.00 O ATOM 1691 CB ASN A 115 14.431 2.010 0.760 1.00 0.00 C ATOM 1692 CG ASN A 115 13.726 2.646 1.960 1.00 0.00 C ATOM 1693 OD1 ASN A 115 12.833 2.114 2.590 1.00 0.00 O ATOM 1694 ND2 ASN A 115 14.105 3.816 2.344 1.00 0.00 N ATOM 0 H ASN A 115 14.788 -0.066 -0.941 1.00 0.00 H new ATOM 0 HA ASN A 115 12.421 1.478 0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 115 15.124 1.242 1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 115 15.023 2.762 0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 115 13.659 4.258 3.147 1.00 0.00 H new ATOM 0 HD22 ASN A 115 14.851 4.300 1.845 1.00 0.00 H new ATOM 1701 N VAL A 116 12.169 2.512 -1.953 1.00 0.00 N ATOM 1702 CA VAL A 116 11.993 3.179 -3.290 1.00 0.00 C ATOM 1703 C VAL A 116 11.626 4.661 -3.111 1.00 0.00 C ATOM 1704 O VAL A 116 11.409 5.108 -1.996 1.00 0.00 O ATOM 1705 CB VAL A 116 10.862 2.407 -4.096 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.156 0.870 -4.265 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.522 2.530 -3.333 1.00 0.00 C ATOM 0 H VAL A 116 11.323 2.449 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 116 12.928 3.140 -3.849 1.00 0.00 H new ATOM 0 HB VAL A 116 10.826 2.863 -5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.345 0.404 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.093 0.736 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.234 0.404 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.741 2.002 -3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.627 2.093 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.252 3.582 -3.240 1.00 0.00 H new ATOM 1717 N ASN A 117 11.570 5.342 -4.232 1.00 0.00 N ATOM 1718 CA ASN A 117 11.230 6.802 -4.267 1.00 0.00 C ATOM 1719 C ASN A 117 9.894 7.042 -4.994 1.00 0.00 C ATOM 1720 O ASN A 117 9.660 6.444 -6.036 1.00 0.00 O ATOM 1721 CB ASN A 117 12.361 7.556 -5.008 1.00 0.00 C ATOM 1722 CG ASN A 117 13.684 7.338 -4.309 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.760 7.230 -3.118 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.783 7.270 -4.965 1.00 0.00 N ATOM 0 H ASN A 117 11.751 4.935 -5.149 1.00 0.00 H new ATOM 0 HA ASN A 117 11.131 7.167 -3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.425 7.207 -6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.133 8.621 -5.045 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.664 7.130 -4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.776 7.356 -5.981 1.00 0.00 H new ATOM 1731 N TYR A 118 9.069 7.905 -4.442 1.00 0.00 N ATOM 1732 CA TYR A 118 7.762 8.153 -5.132 1.00 0.00 C ATOM 1733 C TYR A 118 7.237 9.613 -5.099 1.00 0.00 C ATOM 1734 O TYR A 118 7.499 10.425 -4.229 1.00 0.00 O ATOM 1735 CB TYR A 118 6.705 7.178 -4.517 1.00 0.00 C ATOM 1736 CG TYR A 118 6.151 7.652 -3.160 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.290 8.737 -3.104 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.497 7.015 -1.982 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.788 9.178 -1.903 1.00 0.00 C ATOM 1740 CE2 TYR A 118 5.983 7.469 -0.775 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.131 8.551 -0.742 1.00 0.00 C ATOM 1742 OH TYR A 118 4.620 9.054 0.433 1.00 0.00 O ATOM 0 H TYR A 118 9.233 8.427 -3.581 1.00 0.00 H new ATOM 0 HA TYR A 118 7.934 7.969 -6.192 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.878 7.062 -5.218 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.158 6.195 -4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.010 9.243 -4.016 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.165 6.167 -2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.119 10.025 -1.879 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.253 6.971 0.144 1.00 0.00 H new ATOM 0 HH TYR A 118 5.146 9.833 0.711 1.00 0.00 H new ATOM 1752 N GLN A 119 6.468 9.896 -6.108 1.00 0.00 N ATOM 1753 CA GLN A 119 5.862 11.256 -6.259 1.00 0.00 C ATOM 1754 C GLN A 119 4.383 11.141 -6.712 1.00 0.00 C ATOM 1755 O GLN A 119 4.077 10.317 -7.552 1.00 0.00 O ATOM 1756 CB GLN A 119 6.742 12.060 -7.311 1.00 0.00 C ATOM 1757 CG GLN A 119 8.033 11.266 -7.830 1.00 0.00 C ATOM 1758 CD GLN A 119 9.162 11.062 -6.790 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.956 10.154 -6.899 1.00 0.00 O ATOM 1760 NE2 GLN A 119 9.291 11.862 -5.784 1.00 0.00 N ATOM 0 H GLN A 119 6.227 9.237 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 119 5.856 11.788 -5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.119 12.318 -8.168 1.00 0.00 H new ATOM 0 HB3 GLN A 119 7.064 12.998 -6.858 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.714 10.287 -8.189 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.445 11.801 -8.686 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.639 12.637 -5.662 1.00 0.00 H new ATOM 0 HE22 GLN A 119 10.044 11.718 -5.112 1.00 0.00 H new ATOM 1769 N PHE A 120 3.490 11.933 -6.171 1.00 0.00 N ATOM 1770 CA PHE A 120 2.048 11.827 -6.619 1.00 0.00 C ATOM 1771 C PHE A 120 1.944 12.124 -8.132 1.00 0.00 C ATOM 1772 O PHE A 120 2.686 12.945 -8.639 1.00 0.00 O ATOM 1773 CB PHE A 120 1.187 12.844 -5.838 1.00 0.00 C ATOM 1774 CG PHE A 120 0.774 12.301 -4.463 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.691 11.856 -3.526 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.566 12.275 -4.146 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.269 11.399 -2.291 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.993 11.819 -2.919 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.080 11.382 -1.990 1.00 0.00 C ATOM 0 H PHE A 120 3.680 12.635 -5.456 1.00 0.00 H new ATOM 0 HA PHE A 120 1.688 10.817 -6.424 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.745 13.771 -5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.295 13.086 -6.416 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.745 11.866 -3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.291 12.617 -4.869 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.991 11.057 -1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.048 11.805 -2.686 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.415 11.026 -1.027 1.00 0.00 H new ATOM 1789 N VAL A 121 1.058 11.461 -8.835 1.00 0.00 N ATOM 1790 CA VAL A 121 0.934 11.732 -10.307 1.00 0.00 C ATOM 1791 C VAL A 121 -0.483 11.441 -10.877 1.00 0.00 C ATOM 1792 O VAL A 121 -1.277 10.720 -10.298 1.00 0.00 O ATOM 1793 CB VAL A 121 2.077 10.860 -10.961 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.546 9.825 -11.951 1.00 0.00 C ATOM 1795 CG2 VAL A 121 3.086 11.783 -11.696 1.00 0.00 C ATOM 0 H VAL A 121 0.423 10.754 -8.463 1.00 0.00 H new ATOM 0 HA VAL A 121 1.055 12.791 -10.537 1.00 0.00 H new ATOM 0 HB VAL A 121 2.562 10.320 -10.147 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.379 9.258 -12.366 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.865 9.146 -11.438 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.014 10.331 -12.757 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.873 11.177 -12.146 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.567 12.341 -12.476 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.527 12.480 -10.984 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.753 12.045 -12.003 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.068 11.845 -12.666 1.00 0.00 C ATOM 1807 C ASP A 122 -1.944 10.638 -13.619 1.00 0.00 C ATOM 1808 O ASP A 122 -0.854 10.325 -14.066 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.413 13.168 -13.392 1.00 0.00 C ATOM 1810 CG ASP A 122 -2.734 14.214 -12.347 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -3.751 14.014 -11.694 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -1.956 15.146 -12.258 1.00 0.00 O ATOM 0 H ASP A 122 -0.114 12.671 -12.492 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.875 11.620 -11.969 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.575 13.492 -14.009 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.263 13.024 -14.059 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.047 10.006 -13.915 1.00 0.00 N ATOM 1818 CA CYS A 123 -2.981 8.822 -14.836 1.00 0.00 C ATOM 1819 C CYS A 123 -3.039 9.249 -16.288 1.00 0.00 C ATOM 1820 O CYS A 123 -2.287 8.743 -17.095 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.136 7.895 -14.488 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.290 7.476 -12.735 1.00 0.00 S ATOM 0 H CYS A 123 -3.976 10.247 -13.570 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.032 8.302 -14.705 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.065 8.360 -14.816 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.023 6.972 -15.057 1.00 0.00 H new ATOM 1827 N ARG A 124 -3.925 10.164 -16.561 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.130 10.726 -17.940 1.00 0.00 C ATOM 1829 C ARG A 124 -4.917 9.726 -18.825 1.00 0.00 C ATOM 1830 O ARG A 124 -4.548 9.409 -19.938 1.00 0.00 O ATOM 1831 CB ARG A 124 -2.702 11.047 -18.491 1.00 0.00 C ATOM 1832 CG ARG A 124 -2.720 12.173 -19.523 1.00 0.00 C ATOM 1833 CD ARG A 124 -1.267 12.422 -19.936 1.00 0.00 C ATOM 1834 NE ARG A 124 -1.233 13.784 -20.565 1.00 0.00 N ATOM 1835 CZ ARG A 124 -0.829 14.791 -19.887 1.00 0.00 C ATOM 1836 NH1 ARG A 124 0.400 14.875 -19.581 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -1.704 15.646 -19.558 1.00 0.00 N ATOM 0 H ARG A 124 -4.545 10.567 -15.859 1.00 0.00 H new ATOM 0 HA ARG A 124 -4.734 11.633 -17.933 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.050 11.326 -17.663 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.279 10.150 -18.942 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.325 11.896 -20.386 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -3.162 13.076 -19.101 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -0.604 12.377 -19.072 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -0.927 11.661 -20.639 1.00 0.00 H new ATOM 0 HE ARG A 124 -1.532 13.907 -21.532 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.050 14.146 -19.875 1.00 0.00 H new ATOM 0 HH12 ARG A 124 0.738 15.672 -19.041 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -2.677 15.512 -19.834 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -1.436 16.468 -19.017 1.00 0.00 H new ATOM 1851 N ASP A 125 -5.994 9.265 -18.244 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.915 8.294 -18.890 1.00 0.00 C ATOM 1853 C ASP A 125 -7.997 9.111 -19.656 1.00 0.00 C ATOM 1854 O ASP A 125 -8.311 10.192 -19.171 1.00 0.00 O ATOM 1855 CB ASP A 125 -7.465 7.407 -17.711 1.00 0.00 C ATOM 1856 CG ASP A 125 -8.171 6.163 -18.165 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -7.736 5.606 -19.159 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -9.100 5.812 -17.456 1.00 0.00 O ATOM 1859 OXT ASP A 125 -8.456 8.627 -20.678 1.00 0.00 O ATOM 0 H ASP A 125 -6.281 9.538 -17.304 1.00 0.00 H new ATOM 0 HA ASP A 125 -6.461 7.636 -19.631 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.635 7.126 -17.063 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.151 8.004 -17.110 1.00 0.00 H new