USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 914 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 63 TYR OH : rot -2:sc= 0.863 USER MOD Set 1.2: A 65 CYS SG : rot 106:sc= 0.343 USER MOD Set 1.3: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 70 GLN : amide:sc= 0.15 X(o=1.4,f=0.91) USER MOD Set 2.1: A 1 MET N :NH3+ 167:sc= -0.14 (180deg=-0.553) USER MOD Set 2.2: A 5 MET CE :methyl 178:sc= -0.825 (180deg=-0.856) USER MOD Set 2.3: A 90 SER OG : rot 87:sc= 0.393 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0457 (180deg=-0.408) USER MOD Single : A 3 SER OG : rot 180:sc=-0.00452 USER MOD Single : A 10 ASN : amide:sc= -2.43 K(o=-2.4,f=-5!) USER MOD Single : A 11 CYS SG : rot -77:sc= -0.372 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 58:sc= 0.831 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 162:sc= -0.579 (180deg=-1.17) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -0.0605 (180deg=-0.285) USER MOD Single : A 40 LYS NZ :NH3+ -109:sc= -1.15 (180deg=-2.2!) USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= -0.616 (180deg=-2.34!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.406 K(o=-0.41,f=-4.4!) USER MOD Single : A 58 CYS SG : rot 170:sc= -0.488 USER MOD Single : A 67 ASN : amide:sc= -0.0377 X(o=-0.038,f=0) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.02) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 71:sc= 0.413 USER MOD Single : A 87 TYR OH : rot -143:sc= -0.858 USER MOD Single : A 89 SER OG : rot -7:sc= 0.695 USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 0.158 (180deg=0.139) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -164:sc= -0.0173 (180deg=-0.148) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 109 HIS : no HD1:sc= -0.636 K(o=-0.64,f=-1.2) USER MOD Single : A 111 MET CE :methyl 175:sc= 0 (180deg=-0.0268) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 3.050 -1.188 -1.292 1.00 14.34 C ATOM 4 O MET A 1 4.208 -1.047 -1.684 1.00 34.45 O ATOM 5 CB MET A 1 2.875 1.306 -1.386 1.00 1.23 C ATOM 6 CG MET A 1 3.583 1.734 -0.110 1.00 73.02 C ATOM 7 SD MET A 1 4.443 3.309 -0.288 1.00 22.51 S ATOM 8 CE MET A 1 3.059 4.436 -0.435 1.00 62.14 C ATOM 0 H1 MET A 1 0.853 0.918 0.114 1.00 0.00 H new ATOM 0 H2 MET A 1 0.617 -0.758 -0.030 1.00 0.00 H new ATOM 0 H3 MET A 1 1.971 -0.160 0.803 1.00 0.00 H new ATOM 0 HA MET A 1 1.390 -0.089 -2.071 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.612 1.193 -2.181 1.00 1.23 H new ATOM 0 HB3 MET A 1 2.192 2.097 -1.695 1.00 1.23 H new ATOM 0 HG2 MET A 1 2.854 1.812 0.697 1.00 73.02 H new ATOM 0 HG3 MET A 1 4.299 0.964 0.180 1.00 73.02 H new ATOM 0 HE1 MET A 1 3.395 5.453 -0.232 1.00 62.14 H new ATOM 0 HE2 MET A 1 2.652 4.383 -1.445 1.00 62.14 H new ATOM 0 HE3 MET A 1 2.287 4.159 0.283 1.00 62.14 H new ATOM 18 N ALA A 2 2.558 -2.356 -0.891 1.00 53.41 N ATOM 19 CA ALA A 2 3.369 -3.567 -0.892 1.00 12.35 C ATOM 20 C ALA A 2 2.558 -4.770 -0.422 1.00 64.34 C ATOM 21 O ALA A 2 1.332 -4.710 -0.337 1.00 10.43 O ATOM 22 CB ALA A 2 4.597 -3.380 -0.013 1.00 13.22 C ATOM 0 H ALA A 2 1.602 -2.489 -0.561 1.00 53.41 H new ATOM 0 HA ALA A 2 3.694 -3.757 -1.915 1.00 12.35 H new ATOM 0 HB1 ALA A 2 5.194 -4.292 -0.023 1.00 13.22 H new ATOM 0 HB2 ALA A 2 5.194 -2.551 -0.394 1.00 13.22 H new ATOM 0 HB3 ALA A 2 4.284 -3.162 1.008 1.00 13.22 H new ATOM 28 N SER A 3 3.252 -5.863 -0.121 1.00 32.35 N ATOM 29 CA SER A 3 2.596 -7.083 0.336 1.00 74.13 C ATOM 30 C SER A 3 1.578 -6.776 1.430 1.00 51.21 C ATOM 31 O SER A 3 1.675 -5.759 2.116 1.00 61.30 O ATOM 32 CB SER A 3 3.632 -8.082 0.854 1.00 43.05 C ATOM 33 OG SER A 3 3.016 -9.292 1.258 1.00 24.33 O ATOM 0 H SER A 3 4.268 -5.929 -0.185 1.00 32.35 H new ATOM 0 HA SER A 3 2.071 -7.522 -0.512 1.00 74.13 H new ATOM 0 HB2 SER A 3 4.366 -8.287 0.075 1.00 43.05 H new ATOM 0 HB3 SER A 3 4.173 -7.647 1.695 1.00 43.05 H new ATOM 0 HG SER A 3 3.700 -9.914 1.583 1.00 24.33 H new ATOM 39 N GLY A 4 0.600 -7.663 1.587 1.00 64.54 N ATOM 40 CA GLY A 4 -0.422 -7.470 2.598 1.00 30.22 C ATOM 41 C GLY A 4 -1.254 -6.227 2.352 1.00 4.11 C ATOM 42 O GLY A 4 -1.609 -5.514 3.290 1.00 30.32 O ATOM 0 H GLY A 4 0.498 -8.512 1.031 1.00 64.54 H new ATOM 0 HA2 GLY A 4 -1.075 -8.342 2.621 1.00 30.22 H new ATOM 0 HA3 GLY A 4 0.050 -7.400 3.578 1.00 30.22 H new ATOM 46 N MET A 5 -1.563 -5.965 1.086 1.00 31.04 N ATOM 47 CA MET A 5 -2.358 -4.798 0.720 1.00 23.41 C ATOM 48 C MET A 5 -3.644 -4.739 1.537 1.00 15.21 C ATOM 49 O MET A 5 -3.986 -5.685 2.245 1.00 3.05 O ATOM 50 CB MET A 5 -2.689 -4.829 -0.773 1.00 41.42 C ATOM 51 CG MET A 5 -2.091 -3.668 -1.552 1.00 22.21 C ATOM 52 SD MET A 5 -3.223 -2.273 -1.698 1.00 12.32 S ATOM 53 CE MET A 5 -2.075 -0.899 -1.650 1.00 12.33 C ATOM 0 H MET A 5 -1.275 -6.544 0.297 1.00 31.04 H new ATOM 0 HA MET A 5 -1.770 -3.906 0.936 1.00 23.41 H new ATOM 0 HB2 MET A 5 -2.327 -5.765 -1.198 1.00 41.42 H new ATOM 0 HB3 MET A 5 -3.772 -4.820 -0.897 1.00 41.42 H new ATOM 0 HG2 MET A 5 -1.176 -3.338 -1.060 1.00 22.21 H new ATOM 0 HG3 MET A 5 -1.812 -4.010 -2.549 1.00 22.21 H new ATOM 0 HE1 MET A 5 -2.622 0.037 -1.766 1.00 12.33 H new ATOM 0 HE2 MET A 5 -1.550 -0.896 -0.695 1.00 12.33 H new ATOM 0 HE3 MET A 5 -1.353 -1.000 -2.460 1.00 12.33 H new ATOM 63 N GLY A 6 -4.355 -3.620 1.434 1.00 50.45 N ATOM 64 CA GLY A 6 -5.596 -3.458 2.169 1.00 42.03 C ATOM 65 C GLY A 6 -6.817 -3.728 1.312 1.00 43.00 C ATOM 66 O GLY A 6 -7.268 -2.856 0.569 1.00 34.14 O ATOM 0 H GLY A 6 -4.093 -2.823 0.854 1.00 50.45 H new ATOM 0 HA2 GLY A 6 -5.599 -4.134 3.024 1.00 42.03 H new ATOM 0 HA3 GLY A 6 -5.651 -2.444 2.565 1.00 42.03 H new ATOM 70 N VAL A 7 -7.352 -4.940 1.413 1.00 34.40 N ATOM 71 CA VAL A 7 -8.528 -5.323 0.641 1.00 72.53 C ATOM 72 C VAL A 7 -9.789 -4.677 1.203 1.00 74.21 C ATOM 73 O VAL A 7 -10.252 -5.035 2.286 1.00 14.52 O ATOM 74 CB VAL A 7 -8.713 -6.852 0.621 1.00 31.51 C ATOM 75 CG1 VAL A 7 -7.644 -7.509 -0.239 1.00 4.15 C ATOM 76 CG2 VAL A 7 -8.688 -7.410 2.036 1.00 3.13 C ATOM 0 H VAL A 7 -6.990 -5.674 2.022 1.00 34.40 H new ATOM 0 HA VAL A 7 -8.366 -4.971 -0.378 1.00 72.53 H new ATOM 0 HB VAL A 7 -9.686 -7.077 0.183 1.00 31.51 H new ATOM 0 HG11 VAL A 7 -7.791 -8.589 -0.241 1.00 4.15 H new ATOM 0 HG12 VAL A 7 -7.715 -7.131 -1.259 1.00 4.15 H new ATOM 0 HG13 VAL A 7 -6.659 -7.278 0.166 1.00 4.15 H new ATOM 0 HG21 VAL A 7 -8.820 -8.491 2.003 1.00 3.13 H new ATOM 0 HG22 VAL A 7 -7.731 -7.175 2.503 1.00 3.13 H new ATOM 0 HG23 VAL A 7 -9.495 -6.964 2.617 1.00 3.13 H new ATOM 86 N ASP A 8 -10.341 -3.724 0.459 1.00 21.53 N ATOM 87 CA ASP A 8 -11.550 -3.028 0.882 1.00 35.44 C ATOM 88 C ASP A 8 -12.781 -3.607 0.190 1.00 44.43 C ATOM 89 O ASP A 8 -12.664 -4.353 -0.782 1.00 3.24 O ATOM 90 CB ASP A 8 -11.436 -1.533 0.581 1.00 21.33 C ATOM 91 CG ASP A 8 -12.372 -0.698 1.433 1.00 44.12 C ATOM 92 OD1 ASP A 8 -12.977 -1.256 2.371 1.00 25.35 O ATOM 93 OD2 ASP A 8 -12.500 0.514 1.160 1.00 45.30 O ATOM 0 H ASP A 8 -9.970 -3.416 -0.440 1.00 21.53 H new ATOM 0 HA ASP A 8 -11.661 -3.166 1.957 1.00 35.44 H new ATOM 0 HB2 ASP A 8 -10.409 -1.209 0.750 1.00 21.33 H new ATOM 0 HB3 ASP A 8 -11.656 -1.360 -0.472 1.00 21.33 H new ATOM 98 N GLU A 9 -13.958 -3.257 0.697 1.00 35.14 N ATOM 99 CA GLU A 9 -15.210 -3.744 0.128 1.00 44.40 C ATOM 100 C GLU A 9 -15.258 -3.490 -1.376 1.00 2.20 C ATOM 101 O GLU A 9 -15.945 -4.195 -2.113 1.00 55.22 O ATOM 102 CB GLU A 9 -16.402 -3.068 0.809 1.00 71.43 C ATOM 103 CG GLU A 9 -16.242 -1.566 0.967 1.00 2.23 C ATOM 104 CD GLU A 9 -17.572 -0.843 1.050 1.00 51.32 C ATOM 105 OE1 GLU A 9 -18.309 -0.838 0.042 1.00 72.10 O ATOM 106 OE2 GLU A 9 -17.876 -0.281 2.123 1.00 22.34 O ATOM 0 H GLU A 9 -14.072 -2.639 1.500 1.00 35.14 H new ATOM 0 HA GLU A 9 -15.264 -4.819 0.300 1.00 44.40 H new ATOM 0 HB2 GLU A 9 -17.303 -3.270 0.230 1.00 71.43 H new ATOM 0 HB3 GLU A 9 -16.549 -3.515 1.792 1.00 71.43 H new ATOM 0 HG2 GLU A 9 -15.663 -1.359 1.867 1.00 2.23 H new ATOM 0 HG3 GLU A 9 -15.672 -1.175 0.124 1.00 2.23 H new ATOM 113 N ASN A 10 -14.522 -2.477 -1.823 1.00 55.01 N ATOM 114 CA ASN A 10 -14.482 -2.129 -3.239 1.00 3.53 C ATOM 115 C ASN A 10 -13.844 -3.248 -4.056 1.00 53.13 C ATOM 116 O ASN A 10 -14.311 -3.576 -5.148 1.00 30.43 O ATOM 117 CB ASN A 10 -13.704 -0.827 -3.443 1.00 14.44 C ATOM 118 CG ASN A 10 -14.270 0.319 -2.625 1.00 71.41 C ATOM 119 OD1 ASN A 10 -15.156 1.042 -3.080 1.00 0.40 O ATOM 120 ND2 ASN A 10 -13.759 0.488 -1.411 1.00 62.13 N ATOM 0 H ASN A 10 -13.946 -1.884 -1.226 1.00 55.01 H new ATOM 0 HA ASN A 10 -15.507 -1.991 -3.583 1.00 3.53 H new ATOM 0 HB2 ASN A 10 -12.660 -0.984 -3.170 1.00 14.44 H new ATOM 0 HB3 ASN A 10 -13.720 -0.559 -4.499 1.00 14.44 H new ATOM 0 HD21 ASN A 10 -14.100 1.242 -0.814 1.00 62.13 H new ATOM 0 HD22 ASN A 10 -13.025 -0.136 -1.075 1.00 62.13 H new ATOM 127 N CYS A 11 -12.777 -3.830 -3.521 1.00 42.51 N ATOM 128 CA CYS A 11 -12.075 -4.912 -4.201 1.00 24.41 C ATOM 129 C CYS A 11 -13.054 -5.981 -4.677 1.00 5.14 C ATOM 130 O CYS A 11 -12.782 -6.705 -5.634 1.00 45.03 O ATOM 131 CB CYS A 11 -11.033 -5.536 -3.271 1.00 1.42 C ATOM 132 SG CYS A 11 -11.683 -6.845 -2.207 1.00 64.50 S ATOM 0 H CYS A 11 -12.379 -3.571 -2.618 1.00 42.51 H new ATOM 0 HA CYS A 11 -11.570 -4.493 -5.072 1.00 24.41 H new ATOM 0 HB2 CYS A 11 -10.221 -5.942 -3.874 1.00 1.42 H new ATOM 0 HB3 CYS A 11 -10.605 -4.753 -2.645 1.00 1.42 H new ATOM 0 HG CYS A 11 -12.351 -6.315 -1.226 1.00 64.50 H new ATOM 138 N VAL A 12 -14.194 -6.075 -4.000 1.00 2.12 N ATOM 139 CA VAL A 12 -15.214 -7.055 -4.353 1.00 25.54 C ATOM 140 C VAL A 12 -16.122 -6.530 -5.458 1.00 53.20 C ATOM 141 O VAL A 12 -16.513 -7.271 -6.360 1.00 4.05 O ATOM 142 CB VAL A 12 -16.074 -7.434 -3.132 1.00 61.25 C ATOM 143 CG1 VAL A 12 -16.988 -8.603 -3.466 1.00 30.43 C ATOM 144 CG2 VAL A 12 -15.190 -7.761 -1.939 1.00 22.44 C ATOM 0 H VAL A 12 -14.434 -5.484 -3.204 1.00 2.12 H new ATOM 0 HA VAL A 12 -14.691 -7.942 -4.709 1.00 25.54 H new ATOM 0 HB VAL A 12 -16.698 -6.580 -2.869 1.00 61.25 H new ATOM 0 HG11 VAL A 12 -17.588 -8.857 -2.592 1.00 30.43 H new ATOM 0 HG12 VAL A 12 -17.646 -8.327 -4.290 1.00 30.43 H new ATOM 0 HG13 VAL A 12 -16.386 -9.464 -3.756 1.00 30.43 H new ATOM 0 HG21 VAL A 12 -15.814 -8.026 -1.086 1.00 22.44 H new ATOM 0 HG22 VAL A 12 -14.539 -8.599 -2.187 1.00 22.44 H new ATOM 0 HG23 VAL A 12 -14.582 -6.892 -1.688 1.00 22.44 H new ATOM 154 N ALA A 13 -16.455 -5.245 -5.382 1.00 72.41 N ATOM 155 CA ALA A 13 -17.316 -4.619 -6.378 1.00 31.32 C ATOM 156 C ALA A 13 -16.875 -4.983 -7.791 1.00 50.25 C ATOM 157 O ALA A 13 -17.704 -5.170 -8.682 1.00 15.32 O ATOM 158 CB ALA A 13 -17.321 -3.109 -6.196 1.00 43.43 C ATOM 0 H ALA A 13 -16.142 -4.618 -4.641 1.00 72.41 H new ATOM 0 HA ALA A 13 -18.329 -4.994 -6.235 1.00 31.32 H new ATOM 0 HB1 ALA A 13 -17.968 -2.654 -6.946 1.00 43.43 H new ATOM 0 HB2 ALA A 13 -17.691 -2.864 -5.201 1.00 43.43 H new ATOM 0 HB3 ALA A 13 -16.307 -2.725 -6.310 1.00 43.43 H new ATOM 164 N ARG A 14 -15.565 -5.081 -7.991 1.00 3.22 N ATOM 165 CA ARG A 14 -15.014 -5.420 -9.297 1.00 61.13 C ATOM 166 C ARG A 14 -15.465 -6.811 -9.733 1.00 21.22 C ATOM 167 O ARG A 14 -16.115 -6.969 -10.767 1.00 24.33 O ATOM 168 CB ARG A 14 -13.486 -5.355 -9.263 1.00 21.33 C ATOM 169 CG ARG A 14 -12.944 -4.023 -8.772 1.00 2.20 C ATOM 170 CD ARG A 14 -12.001 -4.205 -7.593 1.00 20.12 C ATOM 171 NE ARG A 14 -10.943 -5.170 -7.882 1.00 13.12 N ATOM 172 CZ ARG A 14 -9.769 -5.181 -7.260 1.00 73.54 C ATOM 173 NH1 ARG A 14 -9.504 -4.285 -6.320 1.00 35.21 N ATOM 174 NH2 ARG A 14 -8.858 -6.091 -7.579 1.00 64.40 N ATOM 0 H ARG A 14 -14.865 -4.930 -7.264 1.00 3.22 H new ATOM 0 HA ARG A 14 -15.385 -4.693 -10.019 1.00 61.13 H new ATOM 0 HB2 ARG A 14 -13.111 -6.150 -8.618 1.00 21.33 H new ATOM 0 HB3 ARG A 14 -13.100 -5.548 -10.264 1.00 21.33 H new ATOM 0 HG2 ARG A 14 -12.419 -3.521 -9.585 1.00 2.20 H new ATOM 0 HG3 ARG A 14 -13.772 -3.377 -8.480 1.00 2.20 H new ATOM 0 HD2 ARG A 14 -11.555 -3.245 -7.334 1.00 20.12 H new ATOM 0 HD3 ARG A 14 -12.568 -4.538 -6.724 1.00 20.12 H new ATOM 0 HE ARG A 14 -11.115 -5.874 -8.600 1.00 13.12 H new ATOM 0 HH11 ARG A 14 -10.202 -3.584 -6.072 1.00 35.21 H new ATOM 0 HH12 ARG A 14 -8.602 -4.296 -5.844 1.00 35.21 H new ATOM 0 HH21 ARG A 14 -9.059 -6.782 -8.302 1.00 64.40 H new ATOM 0 HH22 ARG A 14 -7.957 -6.100 -7.102 1.00 64.40 H new ATOM 188 N PHE A 15 -15.115 -7.817 -8.938 1.00 15.15 N ATOM 189 CA PHE A 15 -15.483 -9.195 -9.241 1.00 62.04 C ATOM 190 C PHE A 15 -16.997 -9.342 -9.353 1.00 74.22 C ATOM 191 O PHE A 15 -17.502 -10.014 -10.252 1.00 44.31 O ATOM 192 CB PHE A 15 -14.946 -10.138 -8.163 1.00 3.03 C ATOM 193 CG PHE A 15 -15.635 -11.472 -8.136 1.00 25.41 C ATOM 194 CD1 PHE A 15 -15.248 -12.484 -9.001 1.00 55.40 C ATOM 195 CD2 PHE A 15 -16.668 -11.716 -7.245 1.00 43.14 C ATOM 196 CE1 PHE A 15 -15.881 -13.712 -8.979 1.00 33.11 C ATOM 197 CE2 PHE A 15 -17.304 -12.943 -7.218 1.00 40.44 C ATOM 198 CZ PHE A 15 -16.909 -13.942 -8.086 1.00 34.33 C ATOM 0 H PHE A 15 -14.577 -7.704 -8.079 1.00 15.15 H new ATOM 0 HA PHE A 15 -15.038 -9.460 -10.200 1.00 62.04 H new ATOM 0 HB2 PHE A 15 -13.879 -10.292 -8.325 1.00 3.03 H new ATOM 0 HB3 PHE A 15 -15.055 -9.662 -7.188 1.00 3.03 H new ATOM 0 HD1 PHE A 15 -14.443 -12.311 -9.700 1.00 55.40 H new ATOM 0 HD2 PHE A 15 -16.980 -10.938 -6.564 1.00 43.14 H new ATOM 0 HE1 PHE A 15 -15.572 -14.491 -9.660 1.00 33.11 H new ATOM 0 HE2 PHE A 15 -18.108 -13.120 -6.519 1.00 40.44 H new ATOM 0 HZ PHE A 15 -17.403 -14.902 -8.066 1.00 34.33 H new ATOM 208 N ASN A 16 -17.717 -8.709 -8.432 1.00 60.23 N ATOM 209 CA ASN A 16 -19.174 -8.770 -8.426 1.00 11.01 C ATOM 210 C ASN A 16 -19.755 -8.033 -9.629 1.00 4.52 C ATOM 211 O ASN A 16 -20.929 -8.194 -9.960 1.00 65.13 O ATOM 212 CB ASN A 16 -19.725 -8.169 -7.131 1.00 22.41 C ATOM 213 CG ASN A 16 -20.943 -8.915 -6.620 1.00 5.21 C ATOM 214 OD1 ASN A 16 -20.820 -9.912 -5.908 1.00 14.42 O ATOM 215 ND2 ASN A 16 -22.126 -8.434 -6.983 1.00 1.54 N ATOM 0 H ASN A 16 -17.315 -8.148 -7.681 1.00 60.23 H new ATOM 0 HA ASN A 16 -19.469 -9.818 -8.487 1.00 11.01 H new ATOM 0 HB2 ASN A 16 -18.947 -8.183 -6.368 1.00 22.41 H new ATOM 0 HB3 ASN A 16 -19.987 -7.125 -7.301 1.00 22.41 H new ATOM 0 HD21 ASN A 16 -22.981 -8.894 -6.670 1.00 1.54 H new ATOM 0 HD22 ASN A 16 -22.180 -7.605 -7.574 1.00 1.54 H new ATOM 222 N GLU A 17 -18.923 -7.223 -10.278 1.00 31.52 N ATOM 223 CA GLU A 17 -19.355 -6.461 -11.444 1.00 25.33 C ATOM 224 C GLU A 17 -19.230 -7.295 -12.716 1.00 30.35 C ATOM 225 O GLU A 17 -20.105 -7.262 -13.582 1.00 11.12 O ATOM 226 CB GLU A 17 -18.528 -5.180 -11.578 1.00 32.53 C ATOM 227 CG GLU A 17 -19.301 -3.919 -11.231 1.00 5.21 C ATOM 228 CD GLU A 17 -19.901 -3.966 -9.839 1.00 60.43 C ATOM 229 OE1 GLU A 17 -20.867 -4.732 -9.636 1.00 43.04 O ATOM 230 OE2 GLU A 17 -19.406 -3.238 -8.954 1.00 30.53 O ATOM 0 H GLU A 17 -17.948 -7.078 -10.016 1.00 31.52 H new ATOM 0 HA GLU A 17 -20.403 -6.196 -11.305 1.00 25.33 H new ATOM 0 HB2 GLU A 17 -17.655 -5.251 -10.929 1.00 32.53 H new ATOM 0 HB3 GLU A 17 -18.159 -5.101 -12.601 1.00 32.53 H new ATOM 0 HG2 GLU A 17 -18.637 -3.058 -11.307 1.00 5.21 H new ATOM 0 HG3 GLU A 17 -20.097 -3.773 -11.961 1.00 5.21 H new ATOM 237 N LEU A 18 -18.137 -8.042 -12.821 1.00 63.51 N ATOM 238 CA LEU A 18 -17.896 -8.886 -13.987 1.00 1.40 C ATOM 239 C LEU A 18 -18.588 -10.236 -13.835 1.00 33.24 C ATOM 240 O LEU A 18 -18.752 -10.975 -14.806 1.00 32.45 O ATOM 241 CB LEU A 18 -16.394 -9.090 -14.192 1.00 22.04 C ATOM 242 CG LEU A 18 -15.627 -9.669 -13.002 1.00 71.52 C ATOM 243 CD1 LEU A 18 -15.220 -11.108 -13.279 1.00 61.34 C ATOM 244 CD2 LEU A 18 -14.405 -8.818 -12.690 1.00 31.24 C ATOM 0 H LEU A 18 -17.403 -8.081 -12.113 1.00 63.51 H new ATOM 0 HA LEU A 18 -18.311 -8.383 -14.860 1.00 1.40 H new ATOM 0 HB2 LEU A 18 -16.251 -9.750 -15.047 1.00 22.04 H new ATOM 0 HB3 LEU A 18 -15.949 -8.130 -14.453 1.00 22.04 H new ATOM 0 HG LEU A 18 -16.283 -9.659 -12.132 1.00 71.52 H new ATOM 0 HD11 LEU A 18 -14.675 -11.504 -12.422 1.00 61.34 H new ATOM 0 HD12 LEU A 18 -16.111 -11.711 -13.453 1.00 61.34 H new ATOM 0 HD13 LEU A 18 -14.581 -11.142 -14.162 1.00 61.34 H new ATOM 0 HD21 LEU A 18 -13.872 -9.245 -11.841 1.00 31.24 H new ATOM 0 HD22 LEU A 18 -13.746 -8.795 -13.558 1.00 31.24 H new ATOM 0 HD23 LEU A 18 -14.721 -7.803 -12.447 1.00 31.24 H new ATOM 256 N LYS A 19 -18.995 -10.552 -12.610 1.00 11.23 N ATOM 257 CA LYS A 19 -19.674 -11.811 -12.329 1.00 64.51 C ATOM 258 C LYS A 19 -21.156 -11.720 -12.675 1.00 54.31 C ATOM 259 O LYS A 19 -21.723 -12.638 -13.268 1.00 64.24 O ATOM 260 CB LYS A 19 -19.505 -12.188 -10.855 1.00 52.14 C ATOM 261 CG LYS A 19 -20.182 -13.495 -10.480 1.00 62.14 C ATOM 262 CD LYS A 19 -21.295 -13.277 -9.469 1.00 41.14 C ATOM 263 CE LYS A 19 -21.555 -14.530 -8.648 1.00 33.12 C ATOM 264 NZ LYS A 19 -22.629 -14.318 -7.638 1.00 24.14 N ATOM 0 H LYS A 19 -18.866 -9.952 -11.795 1.00 11.23 H new ATOM 0 HA LYS A 19 -19.222 -12.585 -12.950 1.00 64.51 H new ATOM 0 HB2 LYS A 19 -18.442 -12.261 -10.627 1.00 52.14 H new ATOM 0 HB3 LYS A 19 -19.910 -11.388 -10.235 1.00 52.14 H new ATOM 0 HG2 LYS A 19 -20.589 -13.965 -11.375 1.00 62.14 H new ATOM 0 HG3 LYS A 19 -19.444 -14.183 -10.067 1.00 62.14 H new ATOM 0 HD2 LYS A 19 -21.029 -12.454 -8.805 1.00 41.14 H new ATOM 0 HD3 LYS A 19 -22.208 -12.985 -9.988 1.00 41.14 H new ATOM 0 HE2 LYS A 19 -21.837 -15.347 -9.312 1.00 33.12 H new ATOM 0 HE3 LYS A 19 -20.637 -14.831 -8.144 1.00 33.12 H new ATOM 0 HZ1 LYS A 19 -22.776 -15.195 -7.099 1.00 24.14 H new ATOM 0 HZ2 LYS A 19 -22.349 -13.555 -6.989 1.00 24.14 H new ATOM 0 HZ3 LYS A 19 -23.512 -14.056 -8.120 1.00 24.14 H new ATOM 278 N ILE A 20 -21.778 -10.606 -12.302 1.00 35.50 N ATOM 279 CA ILE A 20 -23.194 -10.395 -12.576 1.00 14.14 C ATOM 280 C ILE A 20 -23.475 -10.422 -14.074 1.00 62.33 C ATOM 281 O ILE A 20 -24.491 -10.959 -14.516 1.00 42.03 O ATOM 282 CB ILE A 20 -23.685 -9.055 -11.997 1.00 54.54 C ATOM 283 CG1 ILE A 20 -25.157 -8.830 -12.351 1.00 30.11 C ATOM 284 CG2 ILE A 20 -22.830 -7.909 -12.516 1.00 43.43 C ATOM 285 CD1 ILE A 20 -25.976 -8.278 -11.205 1.00 73.52 C ATOM 0 H ILE A 20 -21.324 -9.837 -11.810 1.00 35.50 H new ATOM 0 HA ILE A 20 -23.733 -11.210 -12.094 1.00 14.14 H new ATOM 0 HB ILE A 20 -23.593 -9.090 -10.911 1.00 54.54 H new ATOM 0 HG12 ILE A 20 -25.219 -8.143 -13.195 1.00 30.11 H new ATOM 0 HG13 ILE A 20 -25.593 -9.775 -12.676 1.00 30.11 H new ATOM 0 HG21 ILE A 20 -23.189 -6.969 -12.098 1.00 43.43 H new ATOM 0 HG22 ILE A 20 -21.793 -8.065 -12.219 1.00 43.43 H new ATOM 0 HG23 ILE A 20 -22.894 -7.871 -13.603 1.00 43.43 H new ATOM 0 HD11 ILE A 20 -27.009 -8.144 -11.527 1.00 73.52 H new ATOM 0 HD12 ILE A 20 -25.945 -8.974 -10.367 1.00 73.52 H new ATOM 0 HD13 ILE A 20 -25.565 -7.318 -10.894 1.00 73.52 H new ATOM 297 N ARG A 21 -22.566 -9.842 -14.851 1.00 53.24 N ATOM 298 CA ARG A 21 -22.715 -9.800 -16.301 1.00 73.11 C ATOM 299 C ARG A 21 -22.034 -11.000 -16.952 1.00 72.23 C ATOM 300 O ARG A 21 -22.550 -11.577 -17.910 1.00 40.43 O ATOM 301 CB ARG A 21 -22.128 -8.502 -16.858 1.00 62.34 C ATOM 302 CG ARG A 21 -22.280 -8.362 -18.364 1.00 55.21 C ATOM 303 CD ARG A 21 -23.741 -8.426 -18.784 1.00 65.14 C ATOM 304 NE ARG A 21 -24.586 -7.568 -17.959 1.00 41.52 N ATOM 305 CZ ARG A 21 -25.913 -7.625 -17.958 1.00 70.12 C ATOM 306 NH1 ARG A 21 -26.543 -8.496 -18.734 1.00 64.43 N ATOM 307 NH2 ARG A 21 -26.613 -6.810 -17.179 1.00 71.42 N ATOM 0 H ARG A 21 -21.719 -9.395 -14.501 1.00 53.24 H new ATOM 0 HA ARG A 21 -23.779 -9.838 -16.533 1.00 73.11 H new ATOM 0 HB2 ARG A 21 -22.613 -7.656 -16.372 1.00 62.34 H new ATOM 0 HB3 ARG A 21 -21.070 -8.452 -16.602 1.00 62.34 H new ATOM 0 HG2 ARG A 21 -21.848 -7.415 -18.688 1.00 55.21 H new ATOM 0 HG3 ARG A 21 -21.722 -9.154 -18.863 1.00 55.21 H new ATOM 0 HD2 ARG A 21 -23.831 -8.127 -19.828 1.00 65.14 H new ATOM 0 HD3 ARG A 21 -24.093 -9.455 -18.715 1.00 65.14 H new ATOM 0 HE ARG A 21 -24.132 -6.887 -17.350 1.00 41.52 H new ATOM 0 HH11 ARG A 21 -26.009 -9.125 -19.334 1.00 64.43 H new ATOM 0 HH12 ARG A 21 -27.562 -8.538 -18.731 1.00 64.43 H new ATOM 0 HH21 ARG A 21 -26.132 -6.139 -16.580 1.00 71.42 H new ATOM 0 HH22 ARG A 21 -27.632 -6.855 -17.179 1.00 71.42 H new ATOM 321 N LYS A 22 -20.872 -11.372 -16.426 1.00 41.44 N ATOM 322 CA LYS A 22 -20.119 -12.503 -16.955 1.00 32.13 C ATOM 323 C LYS A 22 -19.838 -12.322 -18.443 1.00 24.11 C ATOM 324 O LYS A 22 -19.513 -13.280 -19.145 1.00 74.25 O ATOM 325 CB LYS A 22 -20.889 -13.806 -16.725 1.00 43.21 C ATOM 326 CG LYS A 22 -20.382 -14.611 -15.541 1.00 13.33 C ATOM 327 CD LYS A 22 -21.403 -15.642 -15.090 1.00 71.11 C ATOM 328 CE LYS A 22 -20.733 -16.935 -14.651 1.00 3.34 C ATOM 329 NZ LYS A 22 -21.711 -17.900 -14.078 1.00 32.05 N ATOM 0 H LYS A 22 -20.431 -10.906 -15.633 1.00 41.44 H new ATOM 0 HA LYS A 22 -19.166 -12.552 -16.427 1.00 32.13 H new ATOM 0 HB2 LYS A 22 -21.943 -13.573 -16.571 1.00 43.21 H new ATOM 0 HB3 LYS A 22 -20.826 -14.419 -17.624 1.00 43.21 H new ATOM 0 HG2 LYS A 22 -19.453 -15.112 -15.812 1.00 13.33 H new ATOM 0 HG3 LYS A 22 -20.153 -13.939 -14.714 1.00 13.33 H new ATOM 0 HD2 LYS A 22 -21.991 -15.237 -14.266 1.00 71.11 H new ATOM 0 HD3 LYS A 22 -22.097 -15.849 -15.905 1.00 71.11 H new ATOM 0 HE2 LYS A 22 -20.230 -17.391 -15.504 1.00 3.34 H new ATOM 0 HE3 LYS A 22 -19.965 -16.713 -13.910 1.00 3.34 H new ATOM 0 HZ1 LYS A 22 -21.215 -18.768 -13.791 1.00 32.05 H new ATOM 0 HZ2 LYS A 22 -22.173 -17.475 -13.249 1.00 32.05 H new ATOM 0 HZ3 LYS A 22 -22.429 -18.132 -14.793 1.00 32.05 H new ATOM 343 N THR A 23 -19.962 -11.087 -18.918 1.00 52.23 N ATOM 344 CA THR A 23 -19.721 -10.780 -20.323 1.00 21.35 C ATOM 345 C THR A 23 -18.682 -9.675 -20.473 1.00 64.44 C ATOM 346 O THR A 23 -17.755 -9.786 -21.276 1.00 70.24 O ATOM 347 CB THR A 23 -21.017 -10.351 -21.035 1.00 14.34 C ATOM 348 OG1 THR A 23 -22.115 -11.149 -20.578 1.00 21.12 O ATOM 349 CG2 THR A 23 -20.877 -10.488 -22.543 1.00 53.11 C ATOM 0 H THR A 23 -20.228 -10.282 -18.350 1.00 52.23 H new ATOM 0 HA THR A 23 -19.347 -11.693 -20.786 1.00 21.35 H new ATOM 0 HB THR A 23 -21.206 -9.304 -20.797 1.00 14.34 H new ATOM 0 HG1 THR A 23 -22.202 -11.060 -19.606 1.00 21.12 H new ATOM 0 HG21 THR A 23 -21.805 -10.179 -23.024 1.00 53.11 H new ATOM 0 HG22 THR A 23 -20.060 -9.856 -22.891 1.00 53.11 H new ATOM 0 HG23 THR A 23 -20.666 -11.527 -22.796 1.00 53.11 H new ATOM 357 N VAL A 24 -18.841 -8.609 -19.696 1.00 21.23 N ATOM 358 CA VAL A 24 -17.915 -7.484 -19.742 1.00 23.12 C ATOM 359 C VAL A 24 -18.459 -6.292 -18.962 1.00 62.14 C ATOM 360 O VAL A 24 -19.324 -5.562 -19.446 1.00 73.23 O ATOM 361 CB VAL A 24 -17.632 -7.049 -21.192 1.00 24.20 C ATOM 362 CG1 VAL A 24 -18.922 -6.999 -21.996 1.00 42.40 C ATOM 363 CG2 VAL A 24 -16.926 -5.702 -21.216 1.00 2.24 C ATOM 0 H VAL A 24 -19.603 -8.501 -19.027 1.00 21.23 H new ATOM 0 HA VAL A 24 -16.985 -7.821 -19.284 1.00 23.12 H new ATOM 0 HB VAL A 24 -16.974 -7.786 -21.652 1.00 24.20 H new ATOM 0 HG11 VAL A 24 -18.702 -6.690 -23.018 1.00 42.40 H new ATOM 0 HG12 VAL A 24 -19.382 -7.987 -22.007 1.00 42.40 H new ATOM 0 HG13 VAL A 24 -19.607 -6.284 -21.540 1.00 42.40 H new ATOM 0 HG21 VAL A 24 -16.734 -5.410 -22.249 1.00 2.24 H new ATOM 0 HG22 VAL A 24 -17.557 -4.952 -20.738 1.00 2.24 H new ATOM 0 HG23 VAL A 24 -15.981 -5.777 -20.678 1.00 2.24 H new ATOM 373 N LYS A 25 -17.945 -6.100 -17.752 1.00 55.51 N ATOM 374 CA LYS A 25 -18.377 -4.995 -16.904 1.00 55.22 C ATOM 375 C LYS A 25 -17.331 -3.885 -16.881 1.00 72.13 C ATOM 376 O LYS A 25 -17.619 -2.757 -16.482 1.00 42.45 O ATOM 377 CB LYS A 25 -18.642 -5.491 -15.481 1.00 3.43 C ATOM 378 CG LYS A 25 -19.601 -4.611 -14.699 1.00 15.25 C ATOM 379 CD LYS A 25 -20.967 -4.548 -15.362 1.00 32.44 C ATOM 380 CE LYS A 25 -22.046 -5.151 -14.474 1.00 64.13 C ATOM 381 NZ LYS A 25 -23.342 -4.431 -14.610 1.00 71.11 N ATOM 0 H LYS A 25 -17.229 -6.695 -17.336 1.00 55.51 H new ATOM 0 HA LYS A 25 -19.300 -4.591 -17.319 1.00 55.22 H new ATOM 0 HB2 LYS A 25 -19.046 -6.502 -15.527 1.00 3.43 H new ATOM 0 HB3 LYS A 25 -17.696 -5.550 -14.944 1.00 3.43 H new ATOM 0 HG2 LYS A 25 -19.705 -4.997 -13.685 1.00 15.25 H new ATOM 0 HG3 LYS A 25 -19.189 -3.605 -14.617 1.00 15.25 H new ATOM 0 HD2 LYS A 25 -21.216 -3.511 -15.586 1.00 32.44 H new ATOM 0 HD3 LYS A 25 -20.936 -5.081 -16.312 1.00 32.44 H new ATOM 0 HE2 LYS A 25 -22.185 -6.201 -14.733 1.00 64.13 H new ATOM 0 HE3 LYS A 25 -21.720 -5.119 -13.434 1.00 64.13 H new ATOM 0 HZ1 LYS A 25 -24.051 -4.872 -13.990 1.00 71.11 H new ATOM 0 HZ2 LYS A 25 -23.216 -3.435 -14.339 1.00 71.11 H new ATOM 0 HZ3 LYS A 25 -23.666 -4.483 -15.597 1.00 71.11 H new ATOM 395 N TRP A 26 -16.119 -4.213 -17.312 1.00 44.14 N ATOM 396 CA TRP A 26 -15.030 -3.243 -17.342 1.00 51.54 C ATOM 397 C TRP A 26 -14.976 -2.444 -16.044 1.00 75.44 C ATOM 398 O TRP A 26 -15.509 -1.337 -15.964 1.00 2.10 O ATOM 399 CB TRP A 26 -15.197 -2.295 -18.532 1.00 23.23 C ATOM 400 CG TRP A 26 -13.932 -2.089 -19.309 1.00 24.05 C ATOM 401 CD1 TRP A 26 -13.089 -1.017 -19.233 1.00 23.34 C ATOM 402 CD2 TRP A 26 -13.368 -2.977 -20.280 1.00 32.21 C ATOM 403 NE1 TRP A 26 -12.035 -1.186 -20.098 1.00 50.44 N ATOM 404 CE2 TRP A 26 -12.183 -2.380 -20.752 1.00 23.41 C ATOM 405 CE3 TRP A 26 -13.748 -4.219 -20.795 1.00 73.14 C ATOM 406 CZ2 TRP A 26 -11.378 -2.984 -21.714 1.00 61.04 C ATOM 407 CZ3 TRP A 26 -12.949 -4.817 -21.751 1.00 3.21 C ATOM 408 CH2 TRP A 26 -11.774 -4.200 -22.202 1.00 12.32 C ATOM 0 H TRP A 26 -15.865 -5.143 -17.646 1.00 44.14 H new ATOM 0 HA TRP A 26 -14.093 -3.789 -17.450 1.00 51.54 H new ATOM 0 HB2 TRP A 26 -15.964 -2.691 -19.198 1.00 23.23 H new ATOM 0 HB3 TRP A 26 -15.555 -1.331 -18.172 1.00 23.23 H new ATOM 0 HD1 TRP A 26 -13.230 -0.162 -18.588 1.00 23.34 H new ATOM 0 HE1 TRP A 26 -11.267 -0.529 -20.231 1.00 50.44 H new ATOM 0 HE3 TRP A 26 -14.650 -4.703 -20.452 1.00 73.14 H new ATOM 0 HZ2 TRP A 26 -10.473 -2.510 -22.063 1.00 61.04 H new ATOM 0 HZ3 TRP A 26 -13.235 -5.776 -22.157 1.00 3.21 H new ATOM 0 HH2 TRP A 26 -11.170 -4.693 -22.949 1.00 12.32 H new ATOM 419 N ILE A 27 -14.331 -3.013 -15.032 1.00 12.24 N ATOM 420 CA ILE A 27 -14.208 -2.352 -13.738 1.00 63.31 C ATOM 421 C ILE A 27 -12.791 -1.832 -13.520 1.00 12.43 C ATOM 422 O ILE A 27 -11.823 -2.589 -13.587 1.00 3.35 O ATOM 423 CB ILE A 27 -14.577 -3.302 -12.583 1.00 72.14 C ATOM 424 CG1 ILE A 27 -15.731 -4.218 -12.997 1.00 14.43 C ATOM 425 CG2 ILE A 27 -14.944 -2.506 -11.340 1.00 34.21 C ATOM 426 CD1 ILE A 27 -15.279 -5.572 -13.496 1.00 53.24 C ATOM 0 H ILE A 27 -13.886 -3.929 -15.082 1.00 12.24 H new ATOM 0 HA ILE A 27 -14.904 -1.513 -13.744 1.00 63.31 H new ATOM 0 HB ILE A 27 -13.711 -3.922 -12.350 1.00 72.14 H new ATOM 0 HG12 ILE A 27 -16.397 -4.358 -12.145 1.00 14.43 H new ATOM 0 HG13 ILE A 27 -16.311 -3.727 -13.778 1.00 14.43 H new ATOM 0 HG21 ILE A 27 -15.202 -3.191 -10.532 1.00 34.21 H new ATOM 0 HG22 ILE A 27 -14.096 -1.892 -11.038 1.00 34.21 H new ATOM 0 HG23 ILE A 27 -15.797 -1.864 -11.558 1.00 34.21 H new ATOM 0 HD11 ILE A 27 -16.149 -6.167 -13.771 1.00 53.24 H new ATOM 0 HD12 ILE A 27 -14.637 -5.443 -14.368 1.00 53.24 H new ATOM 0 HD13 ILE A 27 -14.724 -6.083 -12.709 1.00 53.24 H new ATOM 438 N VAL A 28 -12.678 -0.534 -13.256 1.00 44.33 N ATOM 439 CA VAL A 28 -11.380 0.089 -13.025 1.00 24.34 C ATOM 440 C VAL A 28 -11.184 0.419 -11.549 1.00 53.53 C ATOM 441 O VAL A 28 -11.788 1.356 -11.027 1.00 15.33 O ATOM 442 CB VAL A 28 -11.219 1.377 -13.854 1.00 23.31 C ATOM 443 CG1 VAL A 28 -9.766 1.828 -13.864 1.00 31.34 C ATOM 444 CG2 VAL A 28 -11.729 1.165 -15.271 1.00 72.41 C ATOM 0 H VAL A 28 -13.470 0.106 -13.197 1.00 44.33 H new ATOM 0 HA VAL A 28 -10.624 -0.631 -13.337 1.00 24.34 H new ATOM 0 HB VAL A 28 -11.815 2.163 -13.391 1.00 23.31 H new ATOM 0 HG11 VAL A 28 -9.672 2.739 -14.455 1.00 31.34 H new ATOM 0 HG12 VAL A 28 -9.438 2.022 -12.843 1.00 31.34 H new ATOM 0 HG13 VAL A 28 -9.145 1.046 -14.302 1.00 31.34 H new ATOM 0 HG21 VAL A 28 -11.608 2.085 -15.843 1.00 72.41 H new ATOM 0 HG22 VAL A 28 -11.161 0.365 -15.746 1.00 72.41 H new ATOM 0 HG23 VAL A 28 -12.784 0.893 -15.241 1.00 72.41 H new ATOM 454 N PHE A 29 -10.336 -0.356 -10.882 1.00 44.42 N ATOM 455 CA PHE A 29 -10.060 -0.146 -9.466 1.00 12.44 C ATOM 456 C PHE A 29 -8.648 0.396 -9.260 1.00 74.35 C ATOM 457 O PHE A 29 -7.771 0.209 -10.103 1.00 65.13 O ATOM 458 CB PHE A 29 -10.235 -1.454 -8.691 1.00 43.50 C ATOM 459 CG PHE A 29 -9.362 -2.568 -9.193 1.00 34.41 C ATOM 460 CD1 PHE A 29 -9.775 -3.369 -10.246 1.00 14.31 C ATOM 461 CD2 PHE A 29 -8.129 -2.817 -8.611 1.00 55.53 C ATOM 462 CE1 PHE A 29 -8.975 -4.395 -10.710 1.00 61.35 C ATOM 463 CE2 PHE A 29 -7.325 -3.841 -9.072 1.00 24.31 C ATOM 464 CZ PHE A 29 -7.748 -4.632 -10.122 1.00 33.41 C ATOM 0 H PHE A 29 -9.828 -1.136 -11.299 1.00 44.42 H new ATOM 0 HA PHE A 29 -10.770 0.590 -9.089 1.00 12.44 H new ATOM 0 HB2 PHE A 29 -10.014 -1.276 -7.639 1.00 43.50 H new ATOM 0 HB3 PHE A 29 -11.278 -1.765 -8.750 1.00 43.50 H new ATOM 0 HD1 PHE A 29 -10.734 -3.189 -10.709 1.00 14.31 H new ATOM 0 HD2 PHE A 29 -7.793 -2.204 -7.788 1.00 55.53 H new ATOM 0 HE1 PHE A 29 -9.309 -5.011 -11.532 1.00 61.35 H new ATOM 0 HE2 PHE A 29 -6.365 -4.023 -8.611 1.00 24.31 H new ATOM 0 HZ PHE A 29 -7.121 -5.434 -10.482 1.00 33.41 H new ATOM 474 N LYS A 30 -8.437 1.068 -8.134 1.00 40.22 N ATOM 475 CA LYS A 30 -7.133 1.637 -7.816 1.00 2.15 C ATOM 476 C LYS A 30 -6.726 1.297 -6.385 1.00 41.52 C ATOM 477 O LYS A 30 -7.577 1.051 -5.530 1.00 61.31 O ATOM 478 CB LYS A 30 -7.156 3.156 -8.003 1.00 72.35 C ATOM 479 CG LYS A 30 -8.065 3.876 -7.022 1.00 44.12 C ATOM 480 CD LYS A 30 -7.556 5.274 -6.715 1.00 2.44 C ATOM 481 CE LYS A 30 -7.670 5.595 -5.232 1.00 42.42 C ATOM 482 NZ LYS A 30 -6.846 6.778 -4.856 1.00 31.42 N ATOM 0 H LYS A 30 -9.153 1.232 -7.426 1.00 40.22 H new ATOM 0 HA LYS A 30 -6.400 1.205 -8.497 1.00 2.15 H new ATOM 0 HB2 LYS A 30 -6.142 3.542 -7.897 1.00 72.35 H new ATOM 0 HB3 LYS A 30 -7.479 3.384 -9.019 1.00 72.35 H new ATOM 0 HG2 LYS A 30 -9.072 3.937 -7.435 1.00 44.12 H new ATOM 0 HG3 LYS A 30 -8.133 3.301 -6.098 1.00 44.12 H new ATOM 0 HD2 LYS A 30 -6.516 5.361 -7.028 1.00 2.44 H new ATOM 0 HD3 LYS A 30 -8.124 6.004 -7.291 1.00 2.44 H new ATOM 0 HE2 LYS A 30 -8.714 5.784 -4.980 1.00 42.42 H new ATOM 0 HE3 LYS A 30 -7.353 4.731 -4.648 1.00 42.42 H new ATOM 0 HZ1 LYS A 30 -7.171 7.151 -3.941 1.00 31.42 H new ATOM 0 HZ2 LYS A 30 -5.848 6.496 -4.780 1.00 31.42 H new ATOM 0 HZ3 LYS A 30 -6.943 7.514 -5.584 1.00 31.42 H new ATOM 496 N ILE A 31 -5.422 1.288 -6.132 1.00 45.25 N ATOM 497 CA ILE A 31 -4.903 0.982 -4.805 1.00 73.50 C ATOM 498 C ILE A 31 -4.299 2.220 -4.151 1.00 73.42 C ATOM 499 O ILE A 31 -3.295 2.754 -4.621 1.00 73.20 O ATOM 500 CB ILE A 31 -3.837 -0.128 -4.860 1.00 30.45 C ATOM 501 CG1 ILE A 31 -2.769 0.211 -5.901 1.00 71.14 C ATOM 502 CG2 ILE A 31 -4.484 -1.469 -5.173 1.00 62.32 C ATOM 503 CD1 ILE A 31 -1.752 -0.890 -6.104 1.00 45.22 C ATOM 0 H ILE A 31 -4.705 1.489 -6.829 1.00 45.25 H new ATOM 0 HA ILE A 31 -5.747 0.635 -4.209 1.00 73.50 H new ATOM 0 HB ILE A 31 -3.356 -0.198 -3.884 1.00 30.45 H new ATOM 0 HG12 ILE A 31 -3.256 0.425 -6.853 1.00 71.14 H new ATOM 0 HG13 ILE A 31 -2.252 1.121 -5.596 1.00 71.14 H new ATOM 0 HG21 ILE A 31 -3.718 -2.243 -5.208 1.00 62.32 H new ATOM 0 HG22 ILE A 31 -5.210 -1.712 -4.397 1.00 62.32 H new ATOM 0 HG23 ILE A 31 -4.988 -1.413 -6.138 1.00 62.32 H new ATOM 0 HD11 ILE A 31 -1.026 -0.580 -6.856 1.00 45.22 H new ATOM 0 HD12 ILE A 31 -1.238 -1.089 -5.163 1.00 45.22 H new ATOM 0 HD13 ILE A 31 -2.258 -1.795 -6.440 1.00 45.22 H new ATOM 515 N GLU A 32 -4.918 2.669 -3.063 1.00 45.15 N ATOM 516 CA GLU A 32 -4.439 3.844 -2.345 1.00 14.25 C ATOM 517 C GLU A 32 -3.308 3.475 -1.390 1.00 20.45 C ATOM 518 O GLU A 32 -2.782 2.363 -1.434 1.00 14.31 O ATOM 519 CB GLU A 32 -5.585 4.495 -1.567 1.00 54.22 C ATOM 520 CG GLU A 32 -5.690 5.996 -1.781 1.00 33.12 C ATOM 521 CD GLU A 32 -7.056 6.544 -1.412 1.00 65.54 C ATOM 522 OE1 GLU A 32 -8.037 5.773 -1.458 1.00 24.43 O ATOM 523 OE2 GLU A 32 -7.142 7.744 -1.078 1.00 71.14 O ATOM 0 H GLU A 32 -5.750 2.238 -2.661 1.00 45.15 H new ATOM 0 HA GLU A 32 -4.056 4.554 -3.077 1.00 14.25 H new ATOM 0 HB2 GLU A 32 -6.525 4.028 -1.862 1.00 54.22 H new ATOM 0 HB3 GLU A 32 -5.450 4.297 -0.504 1.00 54.22 H new ATOM 0 HG2 GLU A 32 -4.928 6.498 -1.185 1.00 33.12 H new ATOM 0 HG3 GLU A 32 -5.481 6.226 -2.826 1.00 33.12 H new ATOM 530 N ASN A 33 -2.938 4.416 -0.527 1.00 73.10 N ATOM 531 CA ASN A 33 -1.869 4.191 0.438 1.00 24.53 C ATOM 532 C ASN A 33 -2.278 3.142 1.469 1.00 45.25 C ATOM 533 O ASN A 33 -2.856 3.467 2.506 1.00 22.12 O ATOM 534 CB ASN A 33 -1.505 5.499 1.143 1.00 41.24 C ATOM 535 CG ASN A 33 -0.940 6.532 0.187 1.00 5.21 C ATOM 536 OD1 ASN A 33 -0.335 6.189 -0.829 1.00 3.12 O ATOM 537 ND2 ASN A 33 -1.134 7.806 0.510 1.00 73.42 N ATOM 0 H ASN A 33 -3.363 5.342 -0.477 1.00 73.10 H new ATOM 0 HA ASN A 33 -0.997 3.823 -0.103 1.00 24.53 H new ATOM 0 HB2 ASN A 33 -2.391 5.905 1.630 1.00 41.24 H new ATOM 0 HB3 ASN A 33 -0.775 5.296 1.927 1.00 41.24 H new ATOM 0 HD21 ASN A 33 -0.776 8.546 -0.094 1.00 73.42 H new ATOM 0 HD22 ASN A 33 -1.641 8.045 1.362 1.00 73.42 H new ATOM 544 N THR A 34 -1.973 1.882 1.175 1.00 22.33 N ATOM 545 CA THR A 34 -2.308 0.785 2.075 1.00 55.23 C ATOM 546 C THR A 34 -3.813 0.541 2.106 1.00 22.14 C ATOM 547 O THR A 34 -4.407 0.396 3.175 1.00 24.11 O ATOM 548 CB THR A 34 -1.815 1.062 3.507 1.00 4.32 C ATOM 549 OG1 THR A 34 -0.713 1.977 3.477 1.00 31.34 O ATOM 550 CG2 THR A 34 -1.391 -0.228 4.193 1.00 63.04 C ATOM 0 H THR A 34 -1.495 1.596 0.321 1.00 22.33 H new ATOM 0 HA THR A 34 -1.806 -0.103 1.692 1.00 55.23 H new ATOM 0 HB THR A 34 -2.637 1.502 4.072 1.00 4.32 H new ATOM 0 HG1 THR A 34 -0.406 2.150 4.392 1.00 31.34 H new ATOM 0 HG21 THR A 34 -1.047 -0.007 5.203 1.00 63.04 H new ATOM 0 HG22 THR A 34 -2.239 -0.911 4.240 1.00 63.04 H new ATOM 0 HG23 THR A 34 -0.583 -0.692 3.628 1.00 63.04 H new ATOM 558 N LYS A 35 -4.425 0.496 0.928 1.00 70.30 N ATOM 559 CA LYS A 35 -5.861 0.267 0.820 1.00 61.35 C ATOM 560 C LYS A 35 -6.279 0.114 -0.639 1.00 40.55 C ATOM 561 O LYS A 35 -5.554 0.521 -1.548 1.00 62.20 O ATOM 562 CB LYS A 35 -6.632 1.420 1.464 1.00 13.54 C ATOM 563 CG LYS A 35 -8.124 1.162 1.586 1.00 51.13 C ATOM 564 CD LYS A 35 -8.408 -0.115 2.359 1.00 62.15 C ATOM 565 CE LYS A 35 -7.819 -0.061 3.760 1.00 13.21 C ATOM 566 NZ LYS A 35 -8.247 1.162 4.494 1.00 10.12 N ATOM 0 H LYS A 35 -3.949 0.615 0.034 1.00 70.30 H new ATOM 0 HA LYS A 35 -6.097 -0.658 1.346 1.00 61.35 H new ATOM 0 HB2 LYS A 35 -6.223 1.610 2.456 1.00 13.54 H new ATOM 0 HB3 LYS A 35 -6.475 2.324 0.876 1.00 13.54 H new ATOM 0 HG2 LYS A 35 -8.600 2.005 2.087 1.00 51.13 H new ATOM 0 HG3 LYS A 35 -8.565 1.092 0.591 1.00 51.13 H new ATOM 0 HD2 LYS A 35 -9.485 -0.272 2.422 1.00 62.15 H new ATOM 0 HD3 LYS A 35 -7.993 -0.967 1.821 1.00 62.15 H new ATOM 0 HE2 LYS A 35 -8.126 -0.946 4.318 1.00 13.21 H new ATOM 0 HE3 LYS A 35 -6.731 -0.085 3.698 1.00 13.21 H new ATOM 0 HZ1 LYS A 35 -8.029 1.054 5.505 1.00 10.12 H new ATOM 0 HZ2 LYS A 35 -7.740 1.988 4.117 1.00 10.12 H new ATOM 0 HZ3 LYS A 35 -9.271 1.299 4.373 1.00 10.12 H new ATOM 580 N ILE A 36 -7.452 -0.471 -0.856 1.00 63.31 N ATOM 581 CA ILE A 36 -7.966 -0.674 -2.205 1.00 32.02 C ATOM 582 C ILE A 36 -9.329 -0.013 -2.378 1.00 54.02 C ATOM 583 O ILE A 36 -10.121 0.058 -1.438 1.00 74.53 O ATOM 584 CB ILE A 36 -8.088 -2.172 -2.542 1.00 10.14 C ATOM 585 CG1 ILE A 36 -6.702 -2.816 -2.611 1.00 43.31 C ATOM 586 CG2 ILE A 36 -8.832 -2.361 -3.855 1.00 50.42 C ATOM 587 CD1 ILE A 36 -6.682 -4.258 -2.156 1.00 61.21 C ATOM 0 H ILE A 36 -8.064 -0.813 -0.115 1.00 63.31 H new ATOM 0 HA ILE A 36 -7.252 -0.214 -2.888 1.00 32.02 H new ATOM 0 HB ILE A 36 -8.657 -2.662 -1.752 1.00 10.14 H new ATOM 0 HG12 ILE A 36 -6.336 -2.762 -3.636 1.00 43.31 H new ATOM 0 HG13 ILE A 36 -6.012 -2.240 -1.995 1.00 43.31 H new ATOM 0 HG21 ILE A 36 -8.910 -3.425 -4.079 1.00 50.42 H new ATOM 0 HG22 ILE A 36 -9.831 -1.934 -3.772 1.00 50.42 H new ATOM 0 HG23 ILE A 36 -8.289 -1.860 -4.656 1.00 50.42 H new ATOM 0 HD11 ILE A 36 -5.668 -4.649 -2.232 1.00 61.21 H new ATOM 0 HD12 ILE A 36 -7.017 -4.317 -1.121 1.00 61.21 H new ATOM 0 HD13 ILE A 36 -7.347 -4.848 -2.787 1.00 61.21 H new ATOM 599 N VAL A 37 -9.598 0.469 -3.588 1.00 3.24 N ATOM 600 CA VAL A 37 -10.867 1.122 -3.886 1.00 43.10 C ATOM 601 C VAL A 37 -11.206 1.013 -5.368 1.00 64.14 C ATOM 602 O VAL A 37 -10.330 0.776 -6.201 1.00 1.52 O ATOM 603 CB VAL A 37 -10.841 2.609 -3.485 1.00 21.03 C ATOM 604 CG1 VAL A 37 -11.004 2.759 -1.980 1.00 34.01 C ATOM 605 CG2 VAL A 37 -9.553 3.266 -3.957 1.00 63.34 C ATOM 0 H VAL A 37 -8.954 0.419 -4.377 1.00 3.24 H new ATOM 0 HA VAL A 37 -11.632 0.609 -3.302 1.00 43.10 H new ATOM 0 HB VAL A 37 -11.678 3.112 -3.970 1.00 21.03 H new ATOM 0 HG11 VAL A 37 -10.983 3.816 -1.715 1.00 34.01 H new ATOM 0 HG12 VAL A 37 -11.956 2.327 -1.672 1.00 34.01 H new ATOM 0 HG13 VAL A 37 -10.190 2.242 -1.472 1.00 34.01 H new ATOM 0 HG21 VAL A 37 -9.552 4.316 -3.665 1.00 63.34 H new ATOM 0 HG22 VAL A 37 -8.700 2.762 -3.503 1.00 63.34 H new ATOM 0 HG23 VAL A 37 -9.483 3.191 -5.042 1.00 63.34 H new ATOM 615 N VAL A 38 -12.483 1.187 -5.692 1.00 40.32 N ATOM 616 CA VAL A 38 -12.939 1.110 -7.075 1.00 45.11 C ATOM 617 C VAL A 38 -13.207 2.499 -7.644 1.00 23.03 C ATOM 618 O VAL A 38 -13.698 3.383 -6.943 1.00 34.44 O ATOM 619 CB VAL A 38 -14.218 0.261 -7.198 1.00 41.20 C ATOM 620 CG1 VAL A 38 -15.276 0.745 -6.219 1.00 13.43 C ATOM 621 CG2 VAL A 38 -14.744 0.295 -8.625 1.00 14.42 C ATOM 0 H VAL A 38 -13.221 1.382 -5.015 1.00 40.32 H new ATOM 0 HA VAL A 38 -12.141 0.635 -7.645 1.00 45.11 H new ATOM 0 HB VAL A 38 -13.974 -0.772 -6.950 1.00 41.20 H new ATOM 0 HG11 VAL A 38 -16.172 0.133 -6.320 1.00 13.43 H new ATOM 0 HG12 VAL A 38 -14.894 0.664 -5.201 1.00 13.43 H new ATOM 0 HG13 VAL A 38 -15.521 1.785 -6.433 1.00 13.43 H new ATOM 0 HG21 VAL A 38 -15.648 -0.310 -8.694 1.00 14.42 H new ATOM 0 HG22 VAL A 38 -14.974 1.323 -8.904 1.00 14.42 H new ATOM 0 HG23 VAL A 38 -13.988 -0.104 -9.301 1.00 14.42 H new ATOM 631 N GLU A 39 -12.880 2.683 -8.919 1.00 53.51 N ATOM 632 CA GLU A 39 -13.086 3.966 -9.582 1.00 31.03 C ATOM 633 C GLU A 39 -14.264 3.896 -10.549 1.00 73.21 C ATOM 634 O GLU A 39 -15.195 4.698 -10.472 1.00 31.15 O ATOM 635 CB GLU A 39 -11.821 4.387 -10.332 1.00 25.51 C ATOM 636 CG GLU A 39 -10.621 4.606 -9.426 1.00 24.01 C ATOM 637 CD GLU A 39 -10.788 5.809 -8.518 1.00 25.22 C ATOM 638 OE1 GLU A 39 -11.646 5.755 -7.613 1.00 55.42 O ATOM 639 OE2 GLU A 39 -10.058 6.804 -8.712 1.00 71.13 O ATOM 0 H GLU A 39 -12.472 1.961 -9.513 1.00 53.51 H new ATOM 0 HA GLU A 39 -13.310 4.709 -8.817 1.00 31.03 H new ATOM 0 HB2 GLU A 39 -11.574 3.623 -11.069 1.00 25.51 H new ATOM 0 HB3 GLU A 39 -12.023 5.306 -10.881 1.00 25.51 H new ATOM 0 HG2 GLU A 39 -10.462 3.716 -8.818 1.00 24.01 H new ATOM 0 HG3 GLU A 39 -9.728 4.738 -10.037 1.00 24.01 H new ATOM 646 N LYS A 40 -14.217 2.931 -11.461 1.00 65.30 N ATOM 647 CA LYS A 40 -15.279 2.753 -12.444 1.00 44.12 C ATOM 648 C LYS A 40 -15.970 1.406 -12.261 1.00 13.14 C ATOM 649 O LYS A 40 -15.439 0.509 -11.607 1.00 25.50 O ATOM 650 CB LYS A 40 -14.712 2.859 -13.862 1.00 31.51 C ATOM 651 CG LYS A 40 -14.746 4.268 -14.427 1.00 74.24 C ATOM 652 CD LYS A 40 -13.883 5.217 -13.613 1.00 62.43 C ATOM 653 CE LYS A 40 -12.435 4.754 -13.570 1.00 65.11 C ATOM 654 NZ LYS A 40 -11.507 5.867 -13.228 1.00 4.21 N ATOM 0 H LYS A 40 -13.454 2.259 -11.540 1.00 65.30 H new ATOM 0 HA LYS A 40 -16.015 3.542 -12.293 1.00 44.12 H new ATOM 0 HB2 LYS A 40 -13.682 2.502 -13.860 1.00 31.51 H new ATOM 0 HB3 LYS A 40 -15.277 2.199 -14.520 1.00 31.51 H new ATOM 0 HG2 LYS A 40 -14.399 4.255 -15.460 1.00 74.24 H new ATOM 0 HG3 LYS A 40 -15.774 4.631 -14.441 1.00 74.24 H new ATOM 0 HD2 LYS A 40 -13.934 6.217 -14.044 1.00 62.43 H new ATOM 0 HD3 LYS A 40 -14.274 5.287 -12.598 1.00 62.43 H new ATOM 0 HE2 LYS A 40 -12.331 3.955 -12.835 1.00 65.11 H new ATOM 0 HE3 LYS A 40 -12.159 4.335 -14.538 1.00 65.11 H new ATOM 0 HZ1 LYS A 40 -10.952 6.127 -14.068 1.00 4.21 H new ATOM 0 HZ2 LYS A 40 -12.056 6.690 -12.907 1.00 4.21 H new ATOM 0 HZ3 LYS A 40 -10.864 5.562 -12.469 1.00 4.21 H new ATOM 668 N ASP A 41 -17.157 1.272 -12.842 1.00 70.43 N ATOM 669 CA ASP A 41 -17.920 0.033 -12.745 1.00 32.21 C ATOM 670 C ASP A 41 -19.289 0.185 -13.400 1.00 72.05 C ATOM 671 O ASP A 41 -19.892 1.257 -13.362 1.00 24.13 O ATOM 672 CB ASP A 41 -18.085 -0.376 -11.280 1.00 40.13 C ATOM 673 CG ASP A 41 -18.395 0.805 -10.381 1.00 62.40 C ATOM 674 OD1 ASP A 41 -19.255 1.628 -10.758 1.00 34.15 O ATOM 675 OD2 ASP A 41 -17.777 0.905 -9.300 1.00 74.14 O ATOM 0 H ASP A 41 -17.612 2.006 -13.385 1.00 70.43 H new ATOM 0 HA ASP A 41 -17.369 -0.746 -13.272 1.00 32.21 H new ATOM 0 HB2 ASP A 41 -18.886 -1.111 -11.199 1.00 40.13 H new ATOM 0 HB3 ASP A 41 -17.171 -0.861 -10.936 1.00 40.13 H new ATOM 680 N GLY A 42 -19.775 -0.896 -14.004 1.00 24.02 N ATOM 681 CA GLY A 42 -21.068 -0.861 -14.660 1.00 72.25 C ATOM 682 C GLY A 42 -20.951 -0.843 -16.172 1.00 10.34 C ATOM 683 O GLY A 42 -21.639 -0.077 -16.846 1.00 53.43 O ATOM 0 H GLY A 42 -19.295 -1.795 -14.050 1.00 24.02 H new ATOM 0 HA2 GLY A 42 -21.651 -1.730 -14.354 1.00 72.25 H new ATOM 0 HA3 GLY A 42 -21.615 0.022 -14.330 1.00 72.25 H new ATOM 687 N LYS A 43 -20.076 -1.687 -16.706 1.00 25.41 N ATOM 688 CA LYS A 43 -19.869 -1.766 -18.147 1.00 41.11 C ATOM 689 C LYS A 43 -19.315 -0.452 -18.690 1.00 23.53 C ATOM 690 O LYS A 43 -19.451 0.597 -18.062 1.00 34.41 O ATOM 691 CB LYS A 43 -21.183 -2.108 -18.854 1.00 3.05 C ATOM 692 CG LYS A 43 -20.995 -2.895 -20.139 1.00 31.21 C ATOM 693 CD LYS A 43 -22.179 -3.808 -20.411 1.00 64.52 C ATOM 694 CE LYS A 43 -22.250 -4.944 -19.402 1.00 62.42 C ATOM 695 NZ LYS A 43 -23.500 -4.891 -18.594 1.00 64.02 N ATOM 0 H LYS A 43 -19.498 -2.327 -16.162 1.00 25.41 H new ATOM 0 HA LYS A 43 -19.142 -2.555 -18.342 1.00 41.11 H new ATOM 0 HB2 LYS A 43 -21.813 -2.683 -18.175 1.00 3.05 H new ATOM 0 HB3 LYS A 43 -21.716 -1.184 -19.078 1.00 3.05 H new ATOM 0 HG2 LYS A 43 -20.866 -2.206 -20.974 1.00 31.21 H new ATOM 0 HG3 LYS A 43 -20.084 -3.489 -20.073 1.00 31.21 H new ATOM 0 HD2 LYS A 43 -23.102 -3.229 -20.375 1.00 64.52 H new ATOM 0 HD3 LYS A 43 -22.100 -4.218 -21.418 1.00 64.52 H new ATOM 0 HE2 LYS A 43 -22.196 -5.899 -19.925 1.00 62.42 H new ATOM 0 HE3 LYS A 43 -21.386 -4.895 -18.739 1.00 62.42 H new ATOM 0 HZ1 LYS A 43 -23.317 -5.278 -17.646 1.00 64.02 H new ATOM 0 HZ2 LYS A 43 -23.818 -3.904 -18.510 1.00 64.02 H new ATOM 0 HZ3 LYS A 43 -24.239 -5.454 -19.061 1.00 64.02 H new ATOM 709 N GLY A 44 -18.689 -0.518 -19.861 1.00 74.04 N ATOM 710 CA GLY A 44 -18.126 0.673 -20.469 1.00 4.20 C ATOM 711 C GLY A 44 -17.058 0.351 -21.496 1.00 21.45 C ATOM 712 O GLY A 44 -16.766 1.162 -22.373 1.00 74.43 O ATOM 0 H GLY A 44 -18.562 -1.375 -20.399 1.00 74.04 H new ATOM 0 HA2 GLY A 44 -18.922 1.245 -20.945 1.00 4.20 H new ATOM 0 HA3 GLY A 44 -17.699 1.307 -19.692 1.00 4.20 H new ATOM 716 N ASN A 45 -16.472 -0.837 -21.384 1.00 71.35 N ATOM 717 CA ASN A 45 -15.429 -1.264 -22.309 1.00 64.35 C ATOM 718 C ASN A 45 -14.211 -0.350 -22.215 1.00 63.32 C ATOM 719 O ASN A 45 -14.174 0.570 -21.398 1.00 71.55 O ATOM 720 CB ASN A 45 -15.962 -1.275 -23.743 1.00 73.14 C ATOM 721 CG ASN A 45 -16.118 -2.680 -24.292 1.00 20.42 C ATOM 722 OD1 ASN A 45 -15.233 -3.193 -24.977 1.00 51.34 O ATOM 723 ND2 ASN A 45 -17.248 -3.311 -23.991 1.00 44.35 N ATOM 0 H ASN A 45 -16.702 -1.520 -20.662 1.00 71.35 H new ATOM 0 HA ASN A 45 -15.126 -2.274 -22.034 1.00 64.35 H new ATOM 0 HB2 ASN A 45 -16.926 -0.767 -23.773 1.00 73.14 H new ATOM 0 HB3 ASN A 45 -15.284 -0.711 -24.384 1.00 73.14 H new ATOM 0 HD21 ASN A 45 -17.409 -4.259 -24.331 1.00 44.35 H new ATOM 0 HD22 ASN A 45 -17.955 -2.847 -23.420 1.00 44.35 H new ATOM 730 N ALA A 46 -13.216 -0.610 -23.057 1.00 61.32 N ATOM 731 CA ALA A 46 -11.998 0.190 -23.071 1.00 2.10 C ATOM 732 C ALA A 46 -12.305 1.653 -23.373 1.00 34.23 C ATOM 733 O ALA A 46 -11.528 2.544 -23.031 1.00 65.21 O ATOM 734 CB ALA A 46 -11.013 -0.365 -24.089 1.00 60.22 C ATOM 0 H ALA A 46 -13.230 -1.369 -23.738 1.00 61.32 H new ATOM 0 HA ALA A 46 -11.548 0.137 -22.080 1.00 2.10 H new ATOM 0 HB1 ALA A 46 -10.108 0.243 -24.088 1.00 60.22 H new ATOM 0 HB2 ALA A 46 -10.760 -1.393 -23.828 1.00 60.22 H new ATOM 0 HB3 ALA A 46 -11.464 -0.343 -25.081 1.00 60.22 H new ATOM 740 N ASP A 47 -13.443 1.893 -24.015 1.00 31.10 N ATOM 741 CA ASP A 47 -13.854 3.248 -24.363 1.00 3.34 C ATOM 742 C ASP A 47 -13.916 4.133 -23.121 1.00 63.40 C ATOM 743 O ASP A 47 -13.609 5.323 -23.180 1.00 34.11 O ATOM 744 CB ASP A 47 -15.215 3.229 -25.059 1.00 34.03 C ATOM 745 CG ASP A 47 -15.627 4.598 -25.564 1.00 63.22 C ATOM 746 OD1 ASP A 47 -16.161 5.390 -24.761 1.00 53.41 O ATOM 747 OD2 ASP A 47 -15.415 4.876 -26.763 1.00 43.23 O ATOM 0 H ASP A 47 -14.097 1.166 -24.305 1.00 31.10 H new ATOM 0 HA ASP A 47 -13.112 3.662 -25.046 1.00 3.34 H new ATOM 0 HB2 ASP A 47 -15.182 2.531 -25.896 1.00 34.03 H new ATOM 0 HB3 ASP A 47 -15.970 2.859 -24.365 1.00 34.03 H new ATOM 752 N GLU A 48 -14.315 3.542 -21.999 1.00 60.31 N ATOM 753 CA GLU A 48 -14.419 4.277 -20.744 1.00 42.33 C ATOM 754 C GLU A 48 -13.064 4.355 -20.046 1.00 15.04 C ATOM 755 O GLU A 48 -12.572 5.442 -19.741 1.00 31.43 O ATOM 756 CB GLU A 48 -15.444 3.614 -19.822 1.00 24.11 C ATOM 757 CG GLU A 48 -16.852 4.162 -19.982 1.00 5.41 C ATOM 758 CD GLU A 48 -17.567 4.329 -18.655 1.00 42.53 C ATOM 759 OE1 GLU A 48 -17.186 3.640 -17.686 1.00 33.01 O ATOM 760 OE2 GLU A 48 -18.506 5.149 -18.586 1.00 75.23 O ATOM 0 H GLU A 48 -14.571 2.557 -21.934 1.00 60.31 H new ATOM 0 HA GLU A 48 -14.750 5.290 -20.972 1.00 42.33 H new ATOM 0 HB2 GLU A 48 -15.456 2.542 -20.018 1.00 24.11 H new ATOM 0 HB3 GLU A 48 -15.128 3.745 -18.787 1.00 24.11 H new ATOM 0 HG2 GLU A 48 -16.807 5.125 -20.490 1.00 5.41 H new ATOM 0 HG3 GLU A 48 -17.429 3.492 -20.619 1.00 5.41 H new ATOM 767 N PHE A 49 -12.467 3.195 -19.794 1.00 75.33 N ATOM 768 CA PHE A 49 -11.171 3.130 -19.130 1.00 41.01 C ATOM 769 C PHE A 49 -10.158 4.036 -19.825 1.00 13.15 C ATOM 770 O PHE A 49 -9.447 4.803 -19.175 1.00 35.13 O ATOM 771 CB PHE A 49 -10.655 1.690 -19.112 1.00 22.34 C ATOM 772 CG PHE A 49 -9.239 1.566 -18.626 1.00 1.52 C ATOM 773 CD1 PHE A 49 -8.896 1.959 -17.342 1.00 34.11 C ATOM 774 CD2 PHE A 49 -8.250 1.059 -19.453 1.00 74.43 C ATOM 775 CE1 PHE A 49 -7.594 1.846 -16.891 1.00 54.55 C ATOM 776 CE2 PHE A 49 -6.947 0.943 -19.008 1.00 40.43 C ATOM 777 CZ PHE A 49 -6.618 1.339 -17.726 1.00 73.04 C ATOM 0 H PHE A 49 -12.861 2.287 -20.040 1.00 75.33 H new ATOM 0 HA PHE A 49 -11.299 3.476 -18.104 1.00 41.01 H new ATOM 0 HB2 PHE A 49 -11.303 1.088 -18.475 1.00 22.34 H new ATOM 0 HB3 PHE A 49 -10.723 1.276 -20.118 1.00 22.34 H new ATOM 0 HD1 PHE A 49 -9.655 2.358 -16.686 1.00 34.11 H new ATOM 0 HD2 PHE A 49 -8.500 0.751 -20.457 1.00 74.43 H new ATOM 0 HE1 PHE A 49 -7.341 2.154 -15.887 1.00 54.55 H new ATOM 0 HE2 PHE A 49 -6.186 0.543 -19.662 1.00 40.43 H new ATOM 0 HZ PHE A 49 -5.599 1.252 -17.378 1.00 73.04 H new ATOM 787 N ARG A 50 -10.099 3.941 -21.149 1.00 2.02 N ATOM 788 CA ARG A 50 -9.173 4.750 -21.932 1.00 4.01 C ATOM 789 C ARG A 50 -9.350 6.233 -21.621 1.00 42.41 C ATOM 790 O ARG A 50 -8.412 7.020 -21.742 1.00 64.14 O ATOM 791 CB ARG A 50 -9.384 4.502 -23.427 1.00 11.43 C ATOM 792 CG ARG A 50 -10.614 5.194 -23.991 1.00 13.34 C ATOM 793 CD ARG A 50 -10.260 6.530 -24.626 1.00 72.42 C ATOM 794 NE ARG A 50 -11.408 7.141 -25.292 1.00 22.54 N ATOM 795 CZ ARG A 50 -11.385 8.355 -25.830 1.00 65.52 C ATOM 796 NH1 ARG A 50 -10.278 9.083 -25.783 1.00 0.45 N ATOM 797 NH2 ARG A 50 -12.470 8.842 -26.419 1.00 25.44 N ATOM 0 H ARG A 50 -10.681 3.312 -21.702 1.00 2.02 H new ATOM 0 HA ARG A 50 -8.158 4.459 -21.662 1.00 4.01 H new ATOM 0 HB2 ARG A 50 -8.504 4.844 -23.971 1.00 11.43 H new ATOM 0 HB3 ARG A 50 -9.469 3.429 -23.600 1.00 11.43 H new ATOM 0 HG2 ARG A 50 -11.086 4.551 -24.734 1.00 13.34 H new ATOM 0 HG3 ARG A 50 -11.342 5.350 -23.195 1.00 13.34 H new ATOM 0 HD2 ARG A 50 -9.883 7.207 -23.860 1.00 72.42 H new ATOM 0 HD3 ARG A 50 -9.456 6.387 -25.348 1.00 72.42 H new ATOM 0 HE ARG A 50 -12.275 6.606 -25.347 1.00 22.54 H new ATOM 0 HH11 ARG A 50 -9.442 8.711 -25.333 1.00 0.45 H new ATOM 0 HH12 ARG A 50 -10.263 10.015 -26.197 1.00 0.45 H new ATOM 0 HH21 ARG A 50 -13.323 8.284 -26.459 1.00 25.44 H new ATOM 0 HH22 ARG A 50 -12.451 9.775 -26.832 1.00 25.44 H new ATOM 811 N GLY A 51 -10.561 6.608 -21.220 1.00 2.50 N ATOM 812 CA GLY A 51 -10.839 7.996 -20.899 1.00 12.11 C ATOM 813 C GLY A 51 -11.156 8.199 -19.430 1.00 42.15 C ATOM 814 O GLY A 51 -11.637 9.260 -19.033 1.00 62.23 O ATOM 0 H GLY A 51 -11.354 5.976 -21.112 1.00 2.50 H new ATOM 0 HA2 GLY A 51 -9.978 8.608 -21.170 1.00 12.11 H new ATOM 0 HA3 GLY A 51 -11.679 8.344 -21.500 1.00 12.11 H new ATOM 818 N ALA A 52 -10.887 7.179 -18.622 1.00 60.12 N ATOM 819 CA ALA A 52 -11.146 7.250 -17.190 1.00 0.54 C ATOM 820 C ALA A 52 -9.844 7.293 -16.398 1.00 25.23 C ATOM 821 O ALA A 52 -9.674 8.125 -15.505 1.00 72.13 O ATOM 822 CB ALA A 52 -11.997 6.069 -16.747 1.00 44.04 C ATOM 0 H ALA A 52 -10.490 6.293 -18.935 1.00 60.12 H new ATOM 0 HA ALA A 52 -11.693 8.172 -16.991 1.00 0.54 H new ATOM 0 HB1 ALA A 52 -12.182 6.136 -15.675 1.00 44.04 H new ATOM 0 HB2 ALA A 52 -12.947 6.085 -17.281 1.00 44.04 H new ATOM 0 HB3 ALA A 52 -11.472 5.139 -16.967 1.00 44.04 H new ATOM 828 N LEU A 53 -8.926 6.391 -16.728 1.00 70.15 N ATOM 829 CA LEU A 53 -7.638 6.325 -16.047 1.00 63.22 C ATOM 830 C LEU A 53 -6.905 7.659 -16.138 1.00 3.43 C ATOM 831 O LEU A 53 -6.896 8.322 -17.176 1.00 21.34 O ATOM 832 CB LEU A 53 -6.776 5.215 -16.651 1.00 22.40 C ATOM 833 CG LEU A 53 -5.263 5.381 -16.498 1.00 35.43 C ATOM 834 CD1 LEU A 53 -4.607 4.041 -16.201 1.00 42.32 C ATOM 835 CD2 LEU A 53 -4.666 6.004 -17.751 1.00 3.04 C ATOM 0 H LEU A 53 -9.050 5.695 -17.463 1.00 70.15 H new ATOM 0 HA LEU A 53 -7.822 6.103 -14.996 1.00 63.22 H new ATOM 0 HB2 LEU A 53 -7.065 4.269 -16.194 1.00 22.40 H new ATOM 0 HB3 LEU A 53 -7.007 5.140 -17.714 1.00 22.40 H new ATOM 0 HG LEU A 53 -5.072 6.049 -15.658 1.00 35.43 H new ATOM 0 HD11 LEU A 53 -3.531 4.178 -16.095 1.00 42.32 H new ATOM 0 HD12 LEU A 53 -5.014 3.634 -15.275 1.00 42.32 H new ATOM 0 HD13 LEU A 53 -4.806 3.349 -17.019 1.00 42.32 H new ATOM 0 HD21 LEU A 53 -3.589 6.115 -17.625 1.00 3.04 H new ATOM 0 HD22 LEU A 53 -4.867 5.361 -18.608 1.00 3.04 H new ATOM 0 HD23 LEU A 53 -5.114 6.983 -17.919 1.00 3.04 H new ATOM 847 N PRO A 54 -6.273 8.064 -15.026 1.00 44.21 N ATOM 848 CA PRO A 54 -5.523 9.322 -14.955 1.00 65.34 C ATOM 849 C PRO A 54 -4.244 9.281 -15.786 1.00 10.55 C ATOM 850 O PRO A 54 -3.671 8.216 -16.009 1.00 32.51 O ATOM 851 CB PRO A 54 -5.190 9.453 -13.467 1.00 42.01 C ATOM 852 CG PRO A 54 -5.198 8.055 -12.952 1.00 53.12 C ATOM 853 CD PRO A 54 -6.241 7.325 -13.753 1.00 11.22 C ATOM 0 HA PRO A 54 -6.094 10.161 -15.353 1.00 65.34 H new ATOM 0 HB2 PRO A 54 -4.218 9.924 -13.319 1.00 42.01 H new ATOM 0 HB3 PRO A 54 -5.925 10.070 -12.950 1.00 42.01 H new ATOM 0 HG2 PRO A 54 -4.219 7.590 -13.070 1.00 53.12 H new ATOM 0 HG3 PRO A 54 -5.436 8.032 -11.889 1.00 53.12 H new ATOM 0 HD2 PRO A 54 -5.974 6.279 -13.902 1.00 11.22 H new ATOM 0 HD3 PRO A 54 -7.211 7.338 -13.256 1.00 11.22 H new ATOM 861 N ALA A 55 -3.802 10.450 -16.240 1.00 21.43 N ATOM 862 CA ALA A 55 -2.590 10.548 -17.043 1.00 24.41 C ATOM 863 C ALA A 55 -1.346 10.554 -16.161 1.00 24.21 C ATOM 864 O ALA A 55 -0.302 10.024 -16.540 1.00 40.20 O ATOM 865 CB ALA A 55 -2.630 11.797 -17.910 1.00 14.21 C ATOM 0 H ALA A 55 -4.266 11.342 -16.065 1.00 21.43 H new ATOM 0 HA ALA A 55 -2.541 9.672 -17.690 1.00 24.41 H new ATOM 0 HB1 ALA A 55 -1.718 11.857 -18.504 1.00 14.21 H new ATOM 0 HB2 ALA A 55 -3.493 11.752 -18.574 1.00 14.21 H new ATOM 0 HB3 ALA A 55 -2.707 12.679 -17.274 1.00 14.21 H new ATOM 871 N ASN A 56 -1.464 11.157 -14.983 1.00 13.23 N ATOM 872 CA ASN A 56 -0.348 11.233 -14.047 1.00 51.31 C ATOM 873 C ASN A 56 -0.504 10.207 -12.929 1.00 72.44 C ATOM 874 O ASN A 56 -0.166 10.473 -11.776 1.00 13.20 O ATOM 875 CB ASN A 56 -0.249 12.640 -13.453 1.00 22.33 C ATOM 876 CG ASN A 56 -1.431 12.977 -12.565 1.00 52.12 C ATOM 877 OD1 ASN A 56 -2.407 12.229 -12.502 1.00 13.52 O ATOM 878 ND2 ASN A 56 -1.349 14.108 -11.875 1.00 4.34 N ATOM 0 H ASN A 56 -2.321 11.600 -14.653 1.00 13.23 H new ATOM 0 HA ASN A 56 0.568 11.011 -14.594 1.00 51.31 H new ATOM 0 HB2 ASN A 56 0.671 12.724 -12.875 1.00 22.33 H new ATOM 0 HB3 ASN A 56 -0.186 13.369 -14.261 1.00 22.33 H new ATOM 0 HD21 ASN A 56 -2.114 14.388 -11.262 1.00 4.34 H new ATOM 0 HD22 ASN A 56 -0.521 14.697 -11.958 1.00 4.34 H new ATOM 885 N ASP A 57 -1.017 9.032 -13.280 1.00 14.52 N ATOM 886 CA ASP A 57 -1.217 7.964 -12.307 1.00 41.42 C ATOM 887 C ASP A 57 -1.450 6.629 -13.007 1.00 24.12 C ATOM 888 O ASP A 57 -1.390 6.541 -14.234 1.00 24.12 O ATOM 889 CB ASP A 57 -2.401 8.290 -11.396 1.00 13.11 C ATOM 890 CG ASP A 57 -1.972 8.584 -9.972 1.00 13.51 C ATOM 891 OD1 ASP A 57 -1.320 7.715 -9.356 1.00 71.05 O ATOM 892 OD2 ASP A 57 -2.288 9.685 -9.473 1.00 61.21 O ATOM 0 H ASP A 57 -1.302 8.795 -14.230 1.00 14.52 H new ATOM 0 HA ASP A 57 -0.314 7.884 -11.701 1.00 41.42 H new ATOM 0 HB2 ASP A 57 -2.937 9.151 -11.796 1.00 13.11 H new ATOM 0 HB3 ASP A 57 -3.098 7.452 -11.397 1.00 13.11 H new ATOM 897 N CYS A 58 -1.714 5.593 -12.219 1.00 61.50 N ATOM 898 CA CYS A 58 -1.954 4.260 -12.763 1.00 3.43 C ATOM 899 C CYS A 58 -3.299 3.716 -12.295 1.00 15.33 C ATOM 900 O CYS A 58 -3.900 4.241 -11.357 1.00 31.12 O ATOM 901 CB CYS A 58 -0.832 3.308 -12.347 1.00 31.43 C ATOM 902 SG CYS A 58 -1.116 2.480 -10.764 1.00 63.24 S ATOM 0 H CYS A 58 -1.767 5.650 -11.202 1.00 61.50 H new ATOM 0 HA CYS A 58 -1.972 4.336 -13.850 1.00 3.43 H new ATOM 0 HB2 CYS A 58 -0.705 2.553 -13.122 1.00 31.43 H new ATOM 0 HB3 CYS A 58 0.102 3.867 -12.290 1.00 31.43 H new ATOM 0 HG CYS A 58 -0.229 1.544 -10.598 1.00 63.24 H new ATOM 908 N ARG A 59 -3.768 2.663 -12.955 1.00 60.34 N ATOM 909 CA ARG A 59 -5.044 2.049 -12.609 1.00 14.31 C ATOM 910 C ARG A 59 -5.149 0.644 -13.195 1.00 13.31 C ATOM 911 O ARG A 59 -4.456 0.307 -14.155 1.00 0.31 O ATOM 912 CB ARG A 59 -6.203 2.912 -13.114 1.00 23.23 C ATOM 913 CG ARG A 59 -7.205 3.280 -12.032 1.00 23.34 C ATOM 914 CD ARG A 59 -7.711 4.703 -12.202 1.00 1.50 C ATOM 915 NE ARG A 59 -7.220 5.589 -11.149 1.00 62.43 N ATOM 916 CZ ARG A 59 -7.808 6.732 -10.816 1.00 74.15 C ATOM 917 NH1 ARG A 59 -8.904 7.126 -11.450 1.00 50.54 N ATOM 918 NH2 ARG A 59 -7.301 7.483 -9.847 1.00 54.12 N ATOM 0 H ARG A 59 -3.283 2.217 -13.733 1.00 60.34 H new ATOM 0 HA ARG A 59 -5.100 1.976 -11.523 1.00 14.31 H new ATOM 0 HB2 ARG A 59 -5.801 3.826 -13.551 1.00 23.23 H new ATOM 0 HB3 ARG A 59 -6.721 2.379 -13.911 1.00 23.23 H new ATOM 0 HG2 ARG A 59 -8.046 2.588 -12.063 1.00 23.34 H new ATOM 0 HG3 ARG A 59 -6.740 3.173 -11.052 1.00 23.34 H new ATOM 0 HD2 ARG A 59 -7.397 5.086 -13.173 1.00 1.50 H new ATOM 0 HD3 ARG A 59 -8.801 4.703 -12.197 1.00 1.50 H new ATOM 0 HE ARG A 59 -6.379 5.314 -10.642 1.00 62.43 H new ATOM 0 HH11 ARG A 59 -9.297 6.551 -12.195 1.00 50.54 H new ATOM 0 HH12 ARG A 59 -9.354 8.004 -11.193 1.00 50.54 H new ATOM 0 HH21 ARG A 59 -6.458 7.183 -9.357 1.00 54.12 H new ATOM 0 HH22 ARG A 59 -7.754 8.361 -9.592 1.00 54.12 H new ATOM 932 N PHE A 60 -6.020 -0.171 -12.610 1.00 73.53 N ATOM 933 CA PHE A 60 -6.215 -1.541 -13.073 1.00 51.42 C ATOM 934 C PHE A 60 -7.573 -1.697 -13.751 1.00 61.45 C ATOM 935 O PHE A 60 -8.384 -0.772 -13.763 1.00 21.41 O ATOM 936 CB PHE A 60 -6.102 -2.518 -11.902 1.00 24.52 C ATOM 937 CG PHE A 60 -4.955 -2.219 -10.980 1.00 3.55 C ATOM 938 CD1 PHE A 60 -3.658 -2.556 -11.332 1.00 71.24 C ATOM 939 CD2 PHE A 60 -5.173 -1.599 -9.759 1.00 74.44 C ATOM 940 CE1 PHE A 60 -2.600 -2.281 -10.486 1.00 73.31 C ATOM 941 CE2 PHE A 60 -4.120 -1.322 -8.909 1.00 44.43 C ATOM 942 CZ PHE A 60 -2.832 -1.664 -9.273 1.00 23.15 C ATOM 0 H PHE A 60 -6.602 0.093 -11.815 1.00 73.53 H new ATOM 0 HA PHE A 60 -5.436 -1.767 -13.802 1.00 51.42 H new ATOM 0 HB2 PHE A 60 -7.031 -2.498 -11.332 1.00 24.52 H new ATOM 0 HB3 PHE A 60 -5.990 -3.529 -12.293 1.00 24.52 H new ATOM 0 HD1 PHE A 60 -3.471 -3.040 -12.279 1.00 71.24 H new ATOM 0 HD2 PHE A 60 -6.178 -1.330 -9.469 1.00 74.44 H new ATOM 0 HE1 PHE A 60 -1.594 -2.548 -10.773 1.00 73.31 H new ATOM 0 HE2 PHE A 60 -4.303 -0.839 -7.961 1.00 44.43 H new ATOM 0 HZ PHE A 60 -2.008 -1.449 -8.609 1.00 23.15 H new ATOM 952 N GLY A 61 -7.813 -2.877 -14.317 1.00 43.41 N ATOM 953 CA GLY A 61 -9.072 -3.134 -14.991 1.00 12.15 C ATOM 954 C GLY A 61 -9.334 -4.614 -15.184 1.00 74.30 C ATOM 955 O GLY A 61 -8.685 -5.266 -16.002 1.00 50.55 O ATOM 0 H GLY A 61 -7.158 -3.659 -14.320 1.00 43.41 H new ATOM 0 HA2 GLY A 61 -9.886 -2.696 -14.413 1.00 12.15 H new ATOM 0 HA3 GLY A 61 -9.068 -2.639 -15.962 1.00 12.15 H new ATOM 959 N VAL A 62 -10.288 -5.149 -14.428 1.00 10.33 N ATOM 960 CA VAL A 62 -10.634 -6.562 -14.519 1.00 73.03 C ATOM 961 C VAL A 62 -11.932 -6.761 -15.295 1.00 3.11 C ATOM 962 O VAL A 62 -12.911 -6.046 -15.080 1.00 71.25 O ATOM 963 CB VAL A 62 -10.782 -7.195 -13.123 1.00 65.41 C ATOM 964 CG1 VAL A 62 -9.417 -7.400 -12.483 1.00 10.13 C ATOM 965 CG2 VAL A 62 -11.671 -6.334 -12.239 1.00 22.31 C ATOM 0 H VAL A 62 -10.835 -4.624 -13.745 1.00 10.33 H new ATOM 0 HA VAL A 62 -9.818 -7.054 -15.048 1.00 73.03 H new ATOM 0 HB VAL A 62 -11.255 -8.171 -13.233 1.00 65.41 H new ATOM 0 HG11 VAL A 62 -9.541 -7.848 -11.497 1.00 10.13 H new ATOM 0 HG12 VAL A 62 -8.817 -8.061 -13.109 1.00 10.13 H new ATOM 0 HG13 VAL A 62 -8.914 -6.438 -12.384 1.00 10.13 H new ATOM 0 HG21 VAL A 62 -11.764 -6.797 -11.256 1.00 22.31 H new ATOM 0 HG22 VAL A 62 -11.229 -5.343 -12.133 1.00 22.31 H new ATOM 0 HG23 VAL A 62 -12.658 -6.244 -12.693 1.00 22.31 H new ATOM 975 N TYR A 63 -11.932 -7.736 -16.197 1.00 23.35 N ATOM 976 CA TYR A 63 -13.108 -8.029 -17.006 1.00 55.53 C ATOM 977 C TYR A 63 -13.264 -9.531 -17.219 1.00 31.33 C ATOM 978 O TYR A 63 -12.329 -10.210 -17.645 1.00 11.53 O ATOM 979 CB TYR A 63 -13.013 -7.318 -18.358 1.00 23.43 C ATOM 980 CG TYR A 63 -12.114 -8.022 -19.349 1.00 62.11 C ATOM 981 CD1 TYR A 63 -10.756 -7.734 -19.412 1.00 52.04 C ATOM 982 CD2 TYR A 63 -12.622 -8.976 -20.222 1.00 74.11 C ATOM 983 CE1 TYR A 63 -9.932 -8.374 -20.317 1.00 44.03 C ATOM 984 CE2 TYR A 63 -11.805 -9.622 -21.129 1.00 60.23 C ATOM 985 CZ TYR A 63 -10.461 -9.317 -21.173 1.00 65.33 C ATOM 986 OH TYR A 63 -9.642 -9.958 -22.075 1.00 71.11 O ATOM 0 H TYR A 63 -11.130 -8.337 -16.386 1.00 23.35 H new ATOM 0 HA TYR A 63 -13.985 -7.664 -16.471 1.00 55.53 H new ATOM 0 HB2 TYR A 63 -14.012 -7.231 -18.785 1.00 23.43 H new ATOM 0 HB3 TYR A 63 -12.644 -6.304 -18.201 1.00 23.43 H new ATOM 0 HD1 TYR A 63 -10.338 -6.997 -18.742 1.00 52.04 H new ATOM 0 HD2 TYR A 63 -13.674 -9.217 -20.191 1.00 74.11 H new ATOM 0 HE1 TYR A 63 -8.879 -8.137 -20.354 1.00 44.03 H new ATOM 0 HE2 TYR A 63 -12.216 -10.362 -21.800 1.00 60.23 H new ATOM 0 HH TYR A 63 -8.731 -9.606 -21.997 1.00 71.11 H new ATOM 996 N ASP A 64 -14.452 -10.044 -16.919 1.00 72.41 N ATOM 997 CA ASP A 64 -14.733 -11.467 -17.078 1.00 50.52 C ATOM 998 C ASP A 64 -14.509 -11.907 -18.522 1.00 1.55 C ATOM 999 O ASP A 64 -15.343 -11.658 -19.393 1.00 44.33 O ATOM 1000 CB ASP A 64 -16.170 -11.775 -16.655 1.00 52.23 C ATOM 1001 CG ASP A 64 -16.624 -13.149 -17.107 1.00 14.04 C ATOM 1002 OD1 ASP A 64 -17.054 -13.278 -18.272 1.00 23.31 O ATOM 1003 OD2 ASP A 64 -16.551 -14.095 -16.294 1.00 53.13 O ATOM 0 H ASP A 64 -15.236 -9.496 -16.564 1.00 72.41 H new ATOM 0 HA ASP A 64 -14.047 -12.022 -16.438 1.00 50.52 H new ATOM 0 HB2 ASP A 64 -16.249 -11.708 -15.570 1.00 52.23 H new ATOM 0 HB3 ASP A 64 -16.838 -11.020 -17.070 1.00 52.23 H new ATOM 1008 N CYS A 65 -13.379 -12.560 -18.767 1.00 4.14 N ATOM 1009 CA CYS A 65 -13.044 -13.033 -20.105 1.00 43.01 C ATOM 1010 C CYS A 65 -13.674 -14.395 -20.374 1.00 34.42 C ATOM 1011 O CYS A 65 -13.559 -14.939 -21.472 1.00 13.44 O ATOM 1012 CB CYS A 65 -11.526 -13.118 -20.274 1.00 10.23 C ATOM 1013 SG CYS A 65 -10.962 -12.936 -21.982 1.00 22.12 S ATOM 0 H CYS A 65 -12.679 -12.774 -18.057 1.00 4.14 H new ATOM 0 HA CYS A 65 -13.443 -12.319 -20.826 1.00 43.01 H new ATOM 0 HB2 CYS A 65 -11.059 -12.344 -19.664 1.00 10.23 H new ATOM 0 HB3 CYS A 65 -11.182 -14.078 -19.889 1.00 10.23 H new ATOM 0 HG CYS A 65 -10.432 -11.760 -22.141 1.00 22.12 H new ATOM 1019 N GLY A 66 -14.341 -14.944 -19.362 1.00 5.41 N ATOM 1020 CA GLY A 66 -14.978 -16.239 -19.509 1.00 10.05 C ATOM 1021 C GLY A 66 -14.096 -17.376 -19.034 1.00 65.52 C ATOM 1022 O GLY A 66 -14.584 -18.359 -18.478 1.00 62.21 O ATOM 0 H GLY A 66 -14.451 -14.514 -18.444 1.00 5.41 H new ATOM 0 HA2 GLY A 66 -15.911 -16.247 -18.946 1.00 10.05 H new ATOM 0 HA3 GLY A 66 -15.236 -16.397 -20.556 1.00 10.05 H new ATOM 1026 N ASN A 67 -12.792 -17.244 -19.256 1.00 2.12 N ATOM 1027 CA ASN A 67 -11.839 -18.270 -18.849 1.00 31.41 C ATOM 1028 C ASN A 67 -10.869 -17.728 -17.804 1.00 24.31 C ATOM 1029 O ASN A 67 -10.289 -18.486 -17.026 1.00 32.43 O ATOM 1030 CB ASN A 67 -11.063 -18.786 -20.063 1.00 13.22 C ATOM 1031 CG ASN A 67 -11.654 -20.064 -20.626 1.00 24.20 C ATOM 1032 OD1 ASN A 67 -12.141 -20.091 -21.756 1.00 44.23 O ATOM 1033 ND2 ASN A 67 -11.613 -21.132 -19.838 1.00 3.04 N ATOM 0 H ASN A 67 -12.371 -16.436 -19.716 1.00 2.12 H new ATOM 0 HA ASN A 67 -12.398 -19.094 -18.407 1.00 31.41 H new ATOM 0 HB2 ASN A 67 -11.055 -18.020 -20.838 1.00 13.22 H new ATOM 0 HB3 ASN A 67 -10.025 -18.963 -19.779 1.00 13.22 H new ATOM 0 HD21 ASN A 67 -11.995 -22.020 -20.163 1.00 3.04 H new ATOM 0 HD22 ASN A 67 -11.200 -21.064 -18.908 1.00 3.04 H new ATOM 1040 N LYS A 68 -10.696 -16.411 -17.792 1.00 14.14 N ATOM 1041 CA LYS A 68 -9.798 -15.765 -16.842 1.00 32.02 C ATOM 1042 C LYS A 68 -10.053 -14.262 -16.788 1.00 23.01 C ATOM 1043 O LYS A 68 -10.896 -13.740 -17.517 1.00 52.41 O ATOM 1044 CB LYS A 68 -8.341 -16.033 -17.224 1.00 4.14 C ATOM 1045 CG LYS A 68 -7.941 -15.430 -18.559 1.00 51.11 C ATOM 1046 CD LYS A 68 -8.331 -16.333 -19.718 1.00 2.44 C ATOM 1047 CE LYS A 68 -9.243 -15.615 -20.701 1.00 32.33 C ATOM 1048 NZ LYS A 68 -9.000 -16.052 -22.103 1.00 62.24 N ATOM 0 H LYS A 68 -11.166 -15.769 -18.430 1.00 14.14 H new ATOM 0 HA LYS A 68 -9.991 -16.184 -15.854 1.00 32.02 H new ATOM 0 HB2 LYS A 68 -7.691 -15.634 -16.445 1.00 4.14 H new ATOM 0 HB3 LYS A 68 -8.175 -17.110 -17.257 1.00 4.14 H new ATOM 0 HG2 LYS A 68 -8.419 -14.457 -18.678 1.00 51.11 H new ATOM 0 HG3 LYS A 68 -6.864 -15.261 -18.575 1.00 51.11 H new ATOM 0 HD2 LYS A 68 -7.433 -16.673 -20.234 1.00 2.44 H new ATOM 0 HD3 LYS A 68 -8.834 -17.221 -19.335 1.00 2.44 H new ATOM 0 HE2 LYS A 68 -10.283 -15.805 -20.437 1.00 32.33 H new ATOM 0 HE3 LYS A 68 -9.086 -14.539 -20.623 1.00 32.33 H new ATOM 0 HZ1 LYS A 68 -9.641 -15.540 -22.742 1.00 62.24 H new ATOM 0 HZ2 LYS A 68 -8.014 -15.848 -22.364 1.00 62.24 H new ATOM 0 HZ3 LYS A 68 -9.175 -17.074 -22.183 1.00 62.24 H new ATOM 1062 N ILE A 69 -9.318 -13.573 -15.922 1.00 3.23 N ATOM 1063 CA ILE A 69 -9.463 -12.130 -15.776 1.00 2.13 C ATOM 1064 C ILE A 69 -8.204 -11.402 -16.235 1.00 53.42 C ATOM 1065 O ILE A 69 -7.272 -11.204 -15.457 1.00 45.32 O ATOM 1066 CB ILE A 69 -9.765 -11.739 -14.317 1.00 23.11 C ATOM 1067 CG1 ILE A 69 -10.926 -12.574 -13.772 1.00 44.12 C ATOM 1068 CG2 ILE A 69 -10.082 -10.254 -14.221 1.00 71.31 C ATOM 1069 CD1 ILE A 69 -12.113 -12.641 -14.707 1.00 43.43 C ATOM 0 H ILE A 69 -8.616 -13.991 -15.311 1.00 3.23 H new ATOM 0 HA ILE A 69 -10.302 -11.832 -16.405 1.00 2.13 H new ATOM 0 HB ILE A 69 -8.881 -11.941 -13.712 1.00 23.11 H new ATOM 0 HG12 ILE A 69 -10.573 -13.586 -13.573 1.00 44.12 H new ATOM 0 HG13 ILE A 69 -11.248 -12.155 -12.819 1.00 44.12 H new ATOM 0 HG21 ILE A 69 -10.293 -9.993 -13.184 1.00 71.31 H new ATOM 0 HG22 ILE A 69 -9.228 -9.676 -14.574 1.00 71.31 H new ATOM 0 HG23 ILE A 69 -10.953 -10.027 -14.837 1.00 71.31 H new ATOM 0 HD11 ILE A 69 -12.897 -13.249 -14.256 1.00 43.43 H new ATOM 0 HD12 ILE A 69 -12.492 -11.635 -14.887 1.00 43.43 H new ATOM 0 HD13 ILE A 69 -11.806 -13.088 -15.653 1.00 43.43 H new ATOM 1081 N GLN A 70 -8.187 -11.004 -17.503 1.00 51.23 N ATOM 1082 CA GLN A 70 -7.043 -10.296 -18.066 1.00 12.11 C ATOM 1083 C GLN A 70 -7.096 -8.812 -17.716 1.00 65.34 C ATOM 1084 O GLN A 70 -7.839 -8.046 -18.329 1.00 12.42 O ATOM 1085 CB GLN A 70 -7.004 -10.473 -19.585 1.00 24.23 C ATOM 1086 CG GLN A 70 -5.650 -10.155 -20.199 1.00 53.44 C ATOM 1087 CD GLN A 70 -5.731 -9.076 -21.262 1.00 72.51 C ATOM 1088 OE1 GLN A 70 -6.740 -8.948 -21.957 1.00 3.12 O ATOM 1089 NE2 GLN A 70 -4.667 -8.294 -21.394 1.00 45.02 N ATOM 0 H GLN A 70 -8.952 -11.160 -18.160 1.00 51.23 H new ATOM 0 HA GLN A 70 -6.136 -10.720 -17.635 1.00 12.11 H new ATOM 0 HB2 GLN A 70 -7.273 -11.501 -19.830 1.00 24.23 H new ATOM 0 HB3 GLN A 70 -7.759 -9.830 -20.037 1.00 24.23 H new ATOM 0 HG2 GLN A 70 -4.965 -9.836 -19.414 1.00 53.44 H new ATOM 0 HG3 GLN A 70 -5.232 -11.061 -20.637 1.00 53.44 H new ATOM 0 HE21 GLN A 70 -3.853 -8.436 -20.797 1.00 45.02 H new ATOM 0 HE22 GLN A 70 -4.664 -7.551 -22.093 1.00 45.02 H new ATOM 1098 N PHE A 71 -6.302 -8.414 -16.728 1.00 3.01 N ATOM 1099 CA PHE A 71 -6.259 -7.022 -16.296 1.00 4.13 C ATOM 1100 C PHE A 71 -4.880 -6.417 -16.545 1.00 61.51 C ATOM 1101 O PHE A 71 -3.857 -7.028 -16.237 1.00 24.54 O ATOM 1102 CB PHE A 71 -6.614 -6.915 -14.811 1.00 64.42 C ATOM 1103 CG PHE A 71 -5.450 -7.170 -13.897 1.00 4.33 C ATOM 1104 CD1 PHE A 71 -4.878 -8.429 -13.815 1.00 33.42 C ATOM 1105 CD2 PHE A 71 -4.926 -6.149 -13.119 1.00 73.05 C ATOM 1106 CE1 PHE A 71 -3.808 -8.666 -12.973 1.00 63.15 C ATOM 1107 CE2 PHE A 71 -3.855 -6.380 -12.277 1.00 14.34 C ATOM 1108 CZ PHE A 71 -3.295 -7.640 -12.204 1.00 42.24 C ATOM 0 H PHE A 71 -5.680 -9.035 -16.211 1.00 3.01 H new ATOM 0 HA PHE A 71 -6.992 -6.464 -16.879 1.00 4.13 H new ATOM 0 HB2 PHE A 71 -7.011 -5.920 -14.611 1.00 64.42 H new ATOM 0 HB3 PHE A 71 -7.408 -7.627 -14.583 1.00 64.42 H new ATOM 0 HD1 PHE A 71 -5.273 -9.235 -14.416 1.00 33.42 H new ATOM 0 HD2 PHE A 71 -5.360 -5.161 -13.172 1.00 73.05 H new ATOM 0 HE1 PHE A 71 -3.373 -9.653 -12.916 1.00 63.15 H new ATOM 0 HE2 PHE A 71 -3.456 -5.576 -11.677 1.00 14.34 H new ATOM 0 HZ PHE A 71 -2.458 -7.823 -11.547 1.00 42.24 H new ATOM 1118 N VAL A 72 -4.861 -5.213 -17.107 1.00 12.34 N ATOM 1119 CA VAL A 72 -3.609 -4.524 -17.398 1.00 34.24 C ATOM 1120 C VAL A 72 -3.625 -3.101 -16.851 1.00 21.22 C ATOM 1121 O VAL A 72 -4.680 -2.473 -16.754 1.00 10.03 O ATOM 1122 CB VAL A 72 -3.334 -4.477 -18.912 1.00 65.52 C ATOM 1123 CG1 VAL A 72 -3.567 -5.843 -19.540 1.00 72.10 C ATOM 1124 CG2 VAL A 72 -4.200 -3.420 -19.579 1.00 11.32 C ATOM 0 H VAL A 72 -5.699 -4.694 -17.370 1.00 12.34 H new ATOM 0 HA VAL A 72 -2.815 -5.089 -16.909 1.00 34.24 H new ATOM 0 HB VAL A 72 -2.289 -4.207 -19.065 1.00 65.52 H new ATOM 0 HG11 VAL A 72 -3.368 -5.790 -20.610 1.00 72.10 H new ATOM 0 HG12 VAL A 72 -2.899 -6.573 -19.082 1.00 72.10 H new ATOM 0 HG13 VAL A 72 -4.601 -6.146 -19.378 1.00 72.10 H new ATOM 0 HG21 VAL A 72 -3.992 -3.401 -20.649 1.00 11.32 H new ATOM 0 HG22 VAL A 72 -5.252 -3.657 -19.418 1.00 11.32 H new ATOM 0 HG23 VAL A 72 -3.978 -2.443 -19.149 1.00 11.32 H new ATOM 1134 N LEU A 73 -2.448 -2.597 -16.495 1.00 74.31 N ATOM 1135 CA LEU A 73 -2.325 -1.247 -15.958 1.00 15.51 C ATOM 1136 C LEU A 73 -1.243 -0.464 -16.694 1.00 63.22 C ATOM 1137 O LEU A 73 -0.261 -1.038 -17.166 1.00 0.11 O ATOM 1138 CB LEU A 73 -2.006 -1.298 -14.463 1.00 30.12 C ATOM 1139 CG LEU A 73 -1.079 -2.428 -14.013 1.00 43.32 C ATOM 1140 CD1 LEU A 73 -1.787 -3.770 -14.110 1.00 20.13 C ATOM 1141 CD2 LEU A 73 0.196 -2.434 -14.845 1.00 31.25 C ATOM 0 H LEU A 73 -1.566 -3.103 -16.569 1.00 74.31 H new ATOM 0 HA LEU A 73 -3.278 -0.738 -16.103 1.00 15.51 H new ATOM 0 HB2 LEU A 73 -1.555 -0.348 -14.176 1.00 30.12 H new ATOM 0 HB3 LEU A 73 -2.944 -1.384 -13.914 1.00 30.12 H new ATOM 0 HG LEU A 73 -0.809 -2.258 -12.971 1.00 43.32 H new ATOM 0 HD11 LEU A 73 -1.112 -4.562 -13.786 1.00 20.13 H new ATOM 0 HD12 LEU A 73 -2.670 -3.762 -13.472 1.00 20.13 H new ATOM 0 HD13 LEU A 73 -2.087 -3.949 -15.142 1.00 20.13 H new ATOM 0 HD21 LEU A 73 0.844 -3.244 -14.511 1.00 31.25 H new ATOM 0 HD22 LEU A 73 -0.056 -2.580 -15.895 1.00 31.25 H new ATOM 0 HD23 LEU A 73 0.714 -1.482 -14.725 1.00 31.25 H new ATOM 1153 N TRP A 74 -1.428 0.848 -16.787 1.00 24.44 N ATOM 1154 CA TRP A 74 -0.465 1.709 -17.464 1.00 0.24 C ATOM 1155 C TRP A 74 0.428 2.425 -16.456 1.00 60.30 C ATOM 1156 O TRP A 74 -0.034 2.851 -15.397 1.00 4.41 O ATOM 1157 CB TRP A 74 -1.192 2.733 -18.337 1.00 2.21 C ATOM 1158 CG TRP A 74 -0.872 4.153 -17.979 1.00 30.02 C ATOM 1159 CD1 TRP A 74 -1.355 4.858 -16.914 1.00 0.33 C ATOM 1160 CD2 TRP A 74 0.000 5.040 -18.688 1.00 20.13 C ATOM 1161 NE1 TRP A 74 -0.836 6.130 -16.918 1.00 3.41 N ATOM 1162 CE2 TRP A 74 -0.001 6.267 -17.995 1.00 60.33 C ATOM 1163 CE3 TRP A 74 0.783 4.917 -19.838 1.00 62.25 C ATOM 1164 CZ2 TRP A 74 0.750 7.360 -18.418 1.00 53.43 C ATOM 1165 CZ3 TRP A 74 1.527 6.003 -20.257 1.00 43.31 C ATOM 1166 CH2 TRP A 74 1.507 7.212 -19.548 1.00 61.13 C ATOM 0 H TRP A 74 -2.235 1.339 -16.402 1.00 24.44 H new ATOM 0 HA TRP A 74 0.163 1.082 -18.097 1.00 0.24 H new ATOM 0 HB2 TRP A 74 -0.930 2.561 -19.381 1.00 2.21 H new ATOM 0 HB3 TRP A 74 -2.267 2.577 -18.249 1.00 2.21 H new ATOM 0 HD1 TRP A 74 -2.044 4.472 -16.177 1.00 0.33 H new ATOM 0 HE1 TRP A 74 -1.040 6.855 -16.230 1.00 3.41 H new ATOM 0 HE3 TRP A 74 0.806 3.989 -20.390 1.00 62.25 H new ATOM 0 HZ2 TRP A 74 0.736 8.292 -17.873 1.00 53.43 H new ATOM 0 HZ3 TRP A 74 2.134 5.919 -21.146 1.00 43.31 H new ATOM 0 HH2 TRP A 74 2.101 8.043 -19.900 1.00 61.13 H new ATOM 1177 N CYS A 75 1.707 2.553 -16.792 1.00 32.22 N ATOM 1178 CA CYS A 75 2.665 3.217 -15.915 1.00 33.11 C ATOM 1179 C CYS A 75 2.709 4.716 -16.194 1.00 62.32 C ATOM 1180 O CYS A 75 2.975 5.156 -17.313 1.00 13.02 O ATOM 1181 CB CYS A 75 4.057 2.611 -16.094 1.00 64.14 C ATOM 1182 SG CYS A 75 4.604 1.593 -14.703 1.00 45.35 S ATOM 0 H CYS A 75 2.104 2.206 -17.665 1.00 32.22 H new ATOM 0 HA CYS A 75 2.342 3.067 -14.885 1.00 33.11 H new ATOM 0 HB2 CYS A 75 4.063 2.004 -16.999 1.00 64.14 H new ATOM 0 HB3 CYS A 75 4.775 3.417 -16.245 1.00 64.14 H new ATOM 0 HG CYS A 75 5.791 1.123 -14.949 1.00 45.35 H new ATOM 1188 N PRO A 76 2.442 5.520 -15.154 1.00 73.25 N ATOM 1189 CA PRO A 76 2.444 6.982 -15.263 1.00 72.43 C ATOM 1190 C PRO A 76 3.846 7.546 -15.465 1.00 20.12 C ATOM 1191 O PRO A 76 4.802 7.098 -14.832 1.00 5.20 O ATOM 1192 CB PRO A 76 1.872 7.438 -13.919 1.00 12.22 C ATOM 1193 CG PRO A 76 2.182 6.326 -12.978 1.00 22.13 C ATOM 1194 CD PRO A 76 2.117 5.064 -13.792 1.00 61.34 C ATOM 0 HA PRO A 76 1.872 7.328 -16.124 1.00 72.43 H new ATOM 0 HB2 PRO A 76 2.328 8.372 -13.591 1.00 12.22 H new ATOM 0 HB3 PRO A 76 0.798 7.613 -13.985 1.00 12.22 H new ATOM 0 HG2 PRO A 76 3.170 6.454 -12.535 1.00 22.13 H new ATOM 0 HG3 PRO A 76 1.465 6.298 -12.157 1.00 22.13 H new ATOM 0 HD2 PRO A 76 2.829 4.319 -13.437 1.00 61.34 H new ATOM 0 HD3 PRO A 76 1.129 4.607 -13.746 1.00 61.34 H new ATOM 1202 N ASP A 77 3.961 8.531 -16.349 1.00 31.31 N ATOM 1203 CA ASP A 77 5.247 9.158 -16.632 1.00 73.55 C ATOM 1204 C ASP A 77 5.509 10.316 -15.675 1.00 43.15 C ATOM 1205 O ASP A 77 6.532 10.993 -15.771 1.00 21.01 O ATOM 1206 CB ASP A 77 5.288 9.655 -18.078 1.00 70.43 C ATOM 1207 CG ASP A 77 6.417 9.029 -18.874 1.00 33.23 C ATOM 1208 OD1 ASP A 77 6.378 7.800 -19.093 1.00 60.22 O ATOM 1209 OD2 ASP A 77 7.338 9.768 -19.277 1.00 43.15 O ATOM 0 H ASP A 77 3.179 8.913 -16.882 1.00 31.31 H new ATOM 0 HA ASP A 77 6.027 8.410 -16.491 1.00 73.55 H new ATOM 0 HB2 ASP A 77 4.338 9.431 -18.563 1.00 70.43 H new ATOM 0 HB3 ASP A 77 5.401 10.739 -18.083 1.00 70.43 H new ATOM 1214 N ASN A 78 4.578 10.539 -14.754 1.00 73.31 N ATOM 1215 CA ASN A 78 4.708 11.617 -13.780 1.00 73.35 C ATOM 1216 C ASN A 78 5.464 11.143 -12.543 1.00 13.54 C ATOM 1217 O ASN A 78 6.157 11.923 -11.891 1.00 2.35 O ATOM 1218 CB ASN A 78 3.327 12.139 -13.380 1.00 12.43 C ATOM 1219 CG ASN A 78 3.407 13.399 -12.539 1.00 31.11 C ATOM 1220 OD1 ASN A 78 3.245 14.509 -13.046 1.00 61.25 O ATOM 1221 ND2 ASN A 78 3.658 13.232 -11.246 1.00 21.23 N ATOM 0 H ASN A 78 3.725 9.988 -14.661 1.00 73.31 H new ATOM 0 HA ASN A 78 5.274 12.426 -14.242 1.00 73.35 H new ATOM 0 HB2 ASN A 78 2.744 12.341 -14.278 1.00 12.43 H new ATOM 0 HB3 ASN A 78 2.797 11.367 -12.823 1.00 12.43 H new ATOM 0 HD21 ASN A 78 3.723 14.043 -10.630 1.00 21.23 H new ATOM 0 HD22 ASN A 78 3.785 12.293 -10.868 1.00 21.23 H new ATOM 1228 N ALA A 79 5.325 9.860 -12.226 1.00 15.44 N ATOM 1229 CA ALA A 79 5.996 9.282 -11.068 1.00 50.32 C ATOM 1230 C ALA A 79 5.620 7.815 -10.892 1.00 1.04 C ATOM 1231 O ALA A 79 4.856 7.448 -9.999 1.00 1.14 O ATOM 1232 CB ALA A 79 5.656 10.071 -9.812 1.00 51.13 C ATOM 0 H ALA A 79 4.754 9.201 -12.755 1.00 15.44 H new ATOM 0 HA ALA A 79 7.071 9.337 -11.237 1.00 50.32 H new ATOM 0 HB1 ALA A 79 6.164 9.628 -8.955 1.00 51.13 H new ATOM 0 HB2 ALA A 79 5.981 11.104 -9.932 1.00 51.13 H new ATOM 0 HB3 ALA A 79 4.579 10.047 -9.647 1.00 51.13 H new ATOM 1238 N PRO A 80 6.168 6.954 -11.762 1.00 54.24 N ATOM 1239 CA PRO A 80 5.904 5.513 -11.723 1.00 34.23 C ATOM 1240 C PRO A 80 6.537 4.841 -10.509 1.00 61.55 C ATOM 1241 O PRO A 80 6.053 3.814 -10.033 1.00 24.40 O ATOM 1242 CB PRO A 80 6.545 4.999 -13.014 1.00 51.13 C ATOM 1243 CG PRO A 80 7.607 5.995 -13.332 1.00 33.50 C ATOM 1244 CD PRO A 80 7.087 7.322 -12.852 1.00 61.43 C ATOM 0 HA PRO A 80 4.839 5.296 -11.645 1.00 34.23 H new ATOM 0 HB2 PRO A 80 6.965 4.002 -12.878 1.00 51.13 H new ATOM 0 HB3 PRO A 80 5.813 4.930 -13.819 1.00 51.13 H new ATOM 0 HG2 PRO A 80 8.543 5.740 -12.835 1.00 33.50 H new ATOM 0 HG3 PRO A 80 7.811 6.020 -14.402 1.00 33.50 H new ATOM 0 HD2 PRO A 80 7.893 7.965 -12.498 1.00 61.43 H new ATOM 0 HD3 PRO A 80 6.572 7.863 -13.646 1.00 61.43 H new ATOM 1252 N VAL A 81 7.622 5.427 -10.013 1.00 62.42 N ATOM 1253 CA VAL A 81 8.321 4.885 -8.854 1.00 21.10 C ATOM 1254 C VAL A 81 7.350 4.582 -7.719 1.00 33.22 C ATOM 1255 O VAL A 81 7.617 3.732 -6.868 1.00 55.43 O ATOM 1256 CB VAL A 81 9.401 5.858 -8.345 1.00 22.23 C ATOM 1257 CG1 VAL A 81 8.796 7.222 -8.051 1.00 73.11 C ATOM 1258 CG2 VAL A 81 10.087 5.293 -7.110 1.00 61.21 C ATOM 0 H VAL A 81 8.036 6.277 -10.396 1.00 62.42 H new ATOM 0 HA VAL A 81 8.799 3.960 -9.176 1.00 21.10 H new ATOM 0 HB VAL A 81 10.151 5.981 -9.126 1.00 22.23 H new ATOM 0 HG11 VAL A 81 9.574 7.896 -7.693 1.00 73.11 H new ATOM 0 HG12 VAL A 81 8.355 7.628 -8.961 1.00 73.11 H new ATOM 0 HG13 VAL A 81 8.024 7.121 -7.288 1.00 73.11 H new ATOM 0 HG21 VAL A 81 10.847 5.993 -6.764 1.00 61.21 H new ATOM 0 HG22 VAL A 81 9.349 5.139 -6.322 1.00 61.21 H new ATOM 0 HG23 VAL A 81 10.557 4.341 -7.358 1.00 61.21 H new ATOM 1268 N LYS A 82 6.220 5.282 -7.711 1.00 63.42 N ATOM 1269 CA LYS A 82 5.206 5.087 -6.682 1.00 2.42 C ATOM 1270 C LYS A 82 4.353 3.860 -6.984 1.00 33.34 C ATOM 1271 O LYS A 82 4.366 2.870 -6.252 1.00 31.41 O ATOM 1272 CB LYS A 82 4.315 6.327 -6.574 1.00 43.02 C ATOM 1273 CG LYS A 82 4.596 7.173 -5.344 1.00 60.12 C ATOM 1274 CD LYS A 82 5.697 8.187 -5.604 1.00 63.04 C ATOM 1275 CE LYS A 82 5.790 9.210 -4.482 1.00 73.43 C ATOM 1276 NZ LYS A 82 6.656 10.363 -4.853 1.00 22.32 N ATOM 0 H LYS A 82 5.984 5.990 -8.406 1.00 63.42 H new ATOM 0 HA LYS A 82 5.715 4.928 -5.731 1.00 2.42 H new ATOM 0 HB2 LYS A 82 4.451 6.940 -7.465 1.00 43.02 H new ATOM 0 HB3 LYS A 82 3.271 6.014 -6.558 1.00 43.02 H new ATOM 0 HG2 LYS A 82 3.686 7.692 -5.043 1.00 60.12 H new ATOM 0 HG3 LYS A 82 4.884 6.527 -4.515 1.00 60.12 H new ATOM 0 HD2 LYS A 82 6.651 7.671 -5.707 1.00 63.04 H new ATOM 0 HD3 LYS A 82 5.507 8.697 -6.548 1.00 63.04 H new ATOM 0 HE2 LYS A 82 4.791 9.570 -4.236 1.00 73.43 H new ATOM 0 HE3 LYS A 82 6.186 8.732 -3.586 1.00 73.43 H new ATOM 0 HZ1 LYS A 82 6.694 11.037 -4.062 1.00 22.32 H new ATOM 0 HZ2 LYS A 82 7.616 10.023 -5.064 1.00 22.32 H new ATOM 0 HZ3 LYS A 82 6.264 10.835 -5.693 1.00 22.32 H new ATOM 1290 N PRO A 83 3.593 3.923 -8.087 1.00 63.44 N ATOM 1291 CA PRO A 83 2.721 2.824 -8.512 1.00 62.50 C ATOM 1292 C PRO A 83 3.510 1.615 -9.005 1.00 12.11 C ATOM 1293 O PRO A 83 3.287 0.491 -8.555 1.00 52.00 O ATOM 1294 CB PRO A 83 1.910 3.436 -9.657 1.00 4.02 C ATOM 1295 CG PRO A 83 2.771 4.530 -10.187 1.00 50.25 C ATOM 1296 CD PRO A 83 3.528 5.071 -9.006 1.00 51.53 C ATOM 0 HA PRO A 83 2.109 2.449 -7.691 1.00 62.50 H new ATOM 0 HB2 PRO A 83 1.691 2.696 -10.427 1.00 4.02 H new ATOM 0 HB3 PRO A 83 0.953 3.821 -9.303 1.00 4.02 H new ATOM 0 HG2 PRO A 83 3.454 4.155 -10.949 1.00 50.25 H new ATOM 0 HG3 PRO A 83 2.169 5.309 -10.654 1.00 50.25 H new ATOM 0 HD2 PRO A 83 4.523 5.415 -9.290 1.00 51.53 H new ATOM 0 HD3 PRO A 83 3.014 5.919 -8.554 1.00 51.53 H new ATOM 1304 N ARG A 84 4.432 1.854 -9.931 1.00 45.11 N ATOM 1305 CA ARG A 84 5.254 0.784 -10.485 1.00 53.53 C ATOM 1306 C ARG A 84 5.837 -0.084 -9.375 1.00 32.33 C ATOM 1307 O ARG A 84 5.942 -1.302 -9.517 1.00 32.25 O ATOM 1308 CB ARG A 84 6.383 1.368 -11.337 1.00 14.33 C ATOM 1309 CG ARG A 84 7.111 0.332 -12.176 1.00 71.52 C ATOM 1310 CD ARG A 84 8.272 -0.287 -11.414 1.00 4.32 C ATOM 1311 NE ARG A 84 8.200 -1.745 -11.394 1.00 33.20 N ATOM 1312 CZ ARG A 84 9.061 -2.515 -10.739 1.00 24.12 C ATOM 1313 NH1 ARG A 84 10.056 -1.968 -10.053 1.00 74.20 N ATOM 1314 NH2 ARG A 84 8.929 -3.835 -10.768 1.00 61.04 N ATOM 0 H ARG A 84 4.629 2.779 -10.314 1.00 45.11 H new ATOM 0 HA ARG A 84 4.619 0.161 -11.114 1.00 53.53 H new ATOM 0 HB2 ARG A 84 5.971 2.133 -11.996 1.00 14.33 H new ATOM 0 HB3 ARG A 84 7.101 1.863 -10.683 1.00 14.33 H new ATOM 0 HG2 ARG A 84 6.413 -0.450 -12.476 1.00 71.52 H new ATOM 0 HG3 ARG A 84 7.481 0.797 -13.090 1.00 71.52 H new ATOM 0 HD2 ARG A 84 9.212 0.023 -11.871 1.00 4.32 H new ATOM 0 HD3 ARG A 84 8.276 0.090 -10.391 1.00 4.32 H new ATOM 0 HE ARG A 84 7.447 -2.197 -11.912 1.00 33.20 H new ATOM 0 HH11 ARG A 84 10.161 -0.954 -10.028 1.00 74.20 H new ATOM 0 HH12 ARG A 84 10.716 -2.562 -9.551 1.00 74.20 H new ATOM 0 HH21 ARG A 84 8.165 -4.260 -11.294 1.00 61.04 H new ATOM 0 HH22 ARG A 84 9.591 -4.425 -10.264 1.00 61.04 H new ATOM 1328 N MET A 85 6.215 0.551 -8.270 1.00 52.03 N ATOM 1329 CA MET A 85 6.787 -0.164 -7.135 1.00 73.34 C ATOM 1330 C MET A 85 5.693 -0.630 -6.179 1.00 62.45 C ATOM 1331 O MET A 85 5.879 -1.585 -5.424 1.00 63.23 O ATOM 1332 CB MET A 85 7.783 0.728 -6.393 1.00 24.33 C ATOM 1333 CG MET A 85 7.158 1.525 -5.259 1.00 64.52 C ATOM 1334 SD MET A 85 7.210 0.649 -3.684 1.00 5.23 S ATOM 1335 CE MET A 85 8.881 1.012 -3.150 1.00 1.44 C ATOM 0 H MET A 85 6.135 1.559 -8.137 1.00 52.03 H new ATOM 0 HA MET A 85 7.310 -1.041 -7.516 1.00 73.34 H new ATOM 0 HB2 MET A 85 8.584 0.108 -5.992 1.00 24.33 H new ATOM 0 HB3 MET A 85 8.239 1.418 -7.103 1.00 24.33 H new ATOM 0 HG2 MET A 85 7.680 2.477 -5.158 1.00 64.52 H new ATOM 0 HG3 MET A 85 6.122 1.754 -5.509 1.00 64.52 H new ATOM 0 HE1 MET A 85 9.066 0.537 -2.186 1.00 1.44 H new ATOM 0 HE2 MET A 85 9.589 0.629 -3.885 1.00 1.44 H new ATOM 0 HE3 MET A 85 9.006 2.090 -3.053 1.00 1.44 H new ATOM 1345 N THR A 86 4.551 0.050 -6.216 1.00 64.24 N ATOM 1346 CA THR A 86 3.429 -0.294 -5.353 1.00 11.33 C ATOM 1347 C THR A 86 2.638 -1.467 -5.919 1.00 61.25 C ATOM 1348 O THR A 86 2.575 -2.537 -5.312 1.00 53.54 O ATOM 1349 CB THR A 86 2.481 0.905 -5.161 1.00 34.12 C ATOM 1350 OG1 THR A 86 3.079 1.868 -4.287 1.00 3.23 O ATOM 1351 CG2 THR A 86 1.146 0.453 -4.587 1.00 61.43 C ATOM 0 H THR A 86 4.379 0.842 -6.835 1.00 64.24 H new ATOM 0 HA THR A 86 3.848 -0.576 -4.387 1.00 11.33 H new ATOM 0 HB THR A 86 2.305 1.360 -6.136 1.00 34.12 H new ATOM 0 HG1 THR A 86 3.826 2.306 -4.745 1.00 3.23 H new ATOM 0 HG21 THR A 86 0.493 1.317 -4.460 1.00 61.43 H new ATOM 0 HG22 THR A 86 0.679 -0.258 -5.269 1.00 61.43 H new ATOM 0 HG23 THR A 86 1.308 -0.024 -3.620 1.00 61.43 H new ATOM 1359 N TYR A 87 2.037 -1.261 -7.086 1.00 21.10 N ATOM 1360 CA TYR A 87 1.248 -2.302 -7.734 1.00 25.31 C ATOM 1361 C TYR A 87 2.050 -3.594 -7.859 1.00 61.42 C ATOM 1362 O TYR A 87 1.485 -4.687 -7.902 1.00 1.23 O ATOM 1363 CB TYR A 87 0.790 -1.838 -9.117 1.00 52.51 C ATOM 1364 CG TYR A 87 1.572 -2.456 -10.254 1.00 34.21 C ATOM 1365 CD1 TYR A 87 1.180 -3.665 -10.815 1.00 64.33 C ATOM 1366 CD2 TYR A 87 2.701 -1.831 -10.767 1.00 42.42 C ATOM 1367 CE1 TYR A 87 1.892 -4.234 -11.853 1.00 63.44 C ATOM 1368 CE2 TYR A 87 3.418 -2.392 -11.806 1.00 44.43 C ATOM 1369 CZ TYR A 87 3.010 -3.594 -12.346 1.00 3.35 C ATOM 1370 OH TYR A 87 3.721 -4.157 -13.381 1.00 2.44 O ATOM 0 H TYR A 87 2.081 -0.383 -7.602 1.00 21.10 H new ATOM 0 HA TYR A 87 0.372 -2.497 -7.115 1.00 25.31 H new ATOM 0 HB2 TYR A 87 -0.266 -2.079 -9.240 1.00 52.51 H new ATOM 0 HB3 TYR A 87 0.878 -0.753 -9.174 1.00 52.51 H new ATOM 0 HD1 TYR A 87 0.304 -4.168 -10.433 1.00 64.33 H new ATOM 0 HD2 TYR A 87 3.024 -0.890 -10.346 1.00 42.42 H new ATOM 0 HE1 TYR A 87 1.575 -5.175 -12.277 1.00 63.44 H new ATOM 0 HE2 TYR A 87 4.293 -1.892 -12.193 1.00 44.43 H new ATOM 0 HH TYR A 87 4.679 -4.001 -13.243 1.00 2.44 H new ATOM 1380 N ALA A 88 3.371 -3.460 -7.917 1.00 70.21 N ATOM 1381 CA ALA A 88 4.252 -4.616 -8.035 1.00 12.44 C ATOM 1382 C ALA A 88 4.125 -5.529 -6.820 1.00 14.31 C ATOM 1383 O ALA A 88 3.774 -6.702 -6.947 1.00 42.23 O ATOM 1384 CB ALA A 88 5.694 -4.164 -8.209 1.00 62.11 C ATOM 0 H ALA A 88 3.855 -2.563 -7.884 1.00 70.21 H new ATOM 0 HA ALA A 88 3.951 -5.183 -8.916 1.00 12.44 H new ATOM 0 HB1 ALA A 88 6.341 -5.037 -8.296 1.00 62.11 H new ATOM 0 HB2 ALA A 88 5.779 -3.558 -9.111 1.00 62.11 H new ATOM 0 HB3 ALA A 88 5.997 -3.573 -7.345 1.00 62.11 H new ATOM 1390 N SER A 89 4.412 -4.983 -5.642 1.00 62.05 N ATOM 1391 CA SER A 89 4.334 -5.750 -4.405 1.00 22.31 C ATOM 1392 C SER A 89 2.914 -5.739 -3.847 1.00 42.31 C ATOM 1393 O SER A 89 2.655 -6.271 -2.768 1.00 1.11 O ATOM 1394 CB SER A 89 5.306 -5.185 -3.368 1.00 24.24 C ATOM 1395 OG SER A 89 5.136 -5.818 -2.111 1.00 65.43 O ATOM 0 H SER A 89 4.701 -4.012 -5.519 1.00 62.05 H new ATOM 0 HA SER A 89 4.610 -6.781 -4.628 1.00 22.31 H new ATOM 0 HB2 SER A 89 6.331 -5.323 -3.713 1.00 24.24 H new ATOM 0 HB3 SER A 89 5.147 -4.112 -3.263 1.00 24.24 H new ATOM 0 HG SER A 89 4.350 -6.403 -2.143 1.00 65.43 H new ATOM 1401 N SER A 90 1.998 -5.128 -4.591 1.00 51.42 N ATOM 1402 CA SER A 90 0.604 -5.042 -4.170 1.00 63.45 C ATOM 1403 C SER A 90 -0.263 -6.017 -4.962 1.00 43.32 C ATOM 1404 O SER A 90 -1.315 -6.452 -4.494 1.00 21.11 O ATOM 1405 CB SER A 90 0.082 -3.616 -4.349 1.00 52.35 C ATOM 1406 OG SER A 90 0.574 -2.761 -3.332 1.00 35.13 O ATOM 0 H SER A 90 2.196 -4.685 -5.488 1.00 51.42 H new ATOM 0 HA SER A 90 0.551 -5.310 -3.115 1.00 63.45 H new ATOM 0 HB2 SER A 90 0.382 -3.235 -5.325 1.00 52.35 H new ATOM 0 HB3 SER A 90 -1.008 -3.619 -4.330 1.00 52.35 H new ATOM 0 HG SER A 90 1.442 -2.396 -3.603 1.00 35.13 H new ATOM 1412 N LYS A 91 0.187 -6.355 -6.166 1.00 32.22 N ATOM 1413 CA LYS A 91 -0.545 -7.279 -7.025 1.00 0.34 C ATOM 1414 C LYS A 91 -0.904 -8.555 -6.270 1.00 51.20 C ATOM 1415 O LYS A 91 -1.905 -9.205 -6.572 1.00 63.24 O ATOM 1416 CB LYS A 91 0.286 -7.623 -8.263 1.00 55.42 C ATOM 1417 CG LYS A 91 1.389 -8.632 -7.995 1.00 13.42 C ATOM 1418 CD LYS A 91 2.566 -8.434 -8.936 1.00 34.45 C ATOM 1419 CE LYS A 91 3.804 -9.165 -8.439 1.00 42.44 C ATOM 1420 NZ LYS A 91 5.058 -8.493 -8.880 1.00 10.42 N ATOM 0 H LYS A 91 1.055 -6.003 -6.569 1.00 32.22 H new ATOM 0 HA LYS A 91 -1.468 -6.791 -7.338 1.00 0.34 H new ATOM 0 HB2 LYS A 91 -0.375 -8.016 -9.036 1.00 55.42 H new ATOM 0 HB3 LYS A 91 0.730 -6.709 -8.658 1.00 55.42 H new ATOM 0 HG2 LYS A 91 1.727 -8.538 -6.963 1.00 13.42 H new ATOM 0 HG3 LYS A 91 0.996 -9.642 -8.110 1.00 13.42 H new ATOM 0 HD2 LYS A 91 2.303 -8.795 -9.930 1.00 34.45 H new ATOM 0 HD3 LYS A 91 2.783 -7.370 -9.030 1.00 34.45 H new ATOM 0 HE2 LYS A 91 3.783 -9.217 -7.350 1.00 42.44 H new ATOM 0 HE3 LYS A 91 3.793 -10.191 -8.807 1.00 42.44 H new ATOM 0 HZ1 LYS A 91 5.874 -9.098 -8.655 1.00 10.42 H new ATOM 0 HZ2 LYS A 91 5.021 -8.329 -9.906 1.00 10.42 H new ATOM 0 HZ3 LYS A 91 5.156 -7.582 -8.387 1.00 10.42 H new ATOM 1434 N ASP A 92 -0.083 -8.906 -5.287 1.00 21.12 N ATOM 1435 CA ASP A 92 -0.316 -10.103 -4.487 1.00 63.10 C ATOM 1436 C ASP A 92 -1.737 -10.118 -3.933 1.00 22.35 C ATOM 1437 O ASP A 92 -2.296 -11.180 -3.661 1.00 32.22 O ATOM 1438 CB ASP A 92 0.693 -10.180 -3.340 1.00 64.53 C ATOM 1439 CG ASP A 92 1.953 -10.931 -3.727 1.00 13.32 C ATOM 1440 OD1 ASP A 92 2.235 -11.030 -4.939 1.00 42.10 O ATOM 1441 OD2 ASP A 92 2.655 -11.420 -2.817 1.00 45.52 O ATOM 0 H ASP A 92 0.750 -8.379 -5.025 1.00 21.12 H new ATOM 0 HA ASP A 92 -0.188 -10.972 -5.132 1.00 63.10 H new ATOM 0 HB2 ASP A 92 0.957 -9.171 -3.024 1.00 64.53 H new ATOM 0 HB3 ASP A 92 0.229 -10.671 -2.484 1.00 64.53 H new ATOM 1446 N ALA A 93 -2.314 -8.933 -3.766 1.00 54.04 N ATOM 1447 CA ALA A 93 -3.670 -8.810 -3.245 1.00 71.12 C ATOM 1448 C ALA A 93 -4.685 -8.697 -4.377 1.00 53.34 C ATOM 1449 O ALA A 93 -5.609 -9.505 -4.480 1.00 11.10 O ATOM 1450 CB ALA A 93 -3.773 -7.607 -2.319 1.00 65.13 C ATOM 0 H ALA A 93 -1.864 -8.044 -3.984 1.00 54.04 H new ATOM 0 HA ALA A 93 -3.897 -9.712 -2.677 1.00 71.12 H new ATOM 0 HB1 ALA A 93 -4.791 -7.528 -1.938 1.00 65.13 H new ATOM 0 HB2 ALA A 93 -3.082 -7.729 -1.485 1.00 65.13 H new ATOM 0 HB3 ALA A 93 -3.520 -6.701 -2.870 1.00 65.13 H new ATOM 1456 N LEU A 94 -4.509 -7.689 -5.225 1.00 61.20 N ATOM 1457 CA LEU A 94 -5.411 -7.469 -6.351 1.00 24.45 C ATOM 1458 C LEU A 94 -5.673 -8.772 -7.100 1.00 51.52 C ATOM 1459 O LEU A 94 -6.823 -9.172 -7.286 1.00 61.53 O ATOM 1460 CB LEU A 94 -4.823 -6.428 -7.304 1.00 41.14 C ATOM 1461 CG LEU A 94 -4.639 -5.022 -6.732 1.00 44.02 C ATOM 1462 CD1 LEU A 94 -5.726 -4.713 -5.715 1.00 22.14 C ATOM 1463 CD2 LEU A 94 -3.260 -4.879 -6.103 1.00 54.31 C ATOM 0 H LEU A 94 -3.750 -7.011 -5.154 1.00 61.20 H new ATOM 0 HA LEU A 94 -6.359 -7.099 -5.960 1.00 24.45 H new ATOM 0 HB2 LEU A 94 -3.854 -6.788 -7.650 1.00 41.14 H new ATOM 0 HB3 LEU A 94 -5.469 -6.361 -8.180 1.00 41.14 H new ATOM 0 HG LEU A 94 -4.720 -4.304 -7.548 1.00 44.02 H new ATOM 0 HD11 LEU A 94 -5.579 -3.708 -5.319 1.00 22.14 H new ATOM 0 HD12 LEU A 94 -6.702 -4.774 -6.196 1.00 22.14 H new ATOM 0 HD13 LEU A 94 -5.678 -5.435 -4.900 1.00 22.14 H new ATOM 0 HD21 LEU A 94 -3.146 -3.872 -5.701 1.00 54.31 H new ATOM 0 HD22 LEU A 94 -3.150 -5.606 -5.298 1.00 54.31 H new ATOM 0 HD23 LEU A 94 -2.495 -5.056 -6.859 1.00 54.31 H new ATOM 1475 N LEU A 95 -4.601 -9.429 -7.527 1.00 5.01 N ATOM 1476 CA LEU A 95 -4.714 -10.688 -8.255 1.00 32.13 C ATOM 1477 C LEU A 95 -5.520 -11.708 -7.456 1.00 50.22 C ATOM 1478 O LEU A 95 -6.261 -12.511 -8.023 1.00 21.40 O ATOM 1479 CB LEU A 95 -3.325 -11.248 -8.564 1.00 22.41 C ATOM 1480 CG LEU A 95 -2.687 -10.778 -9.871 1.00 40.44 C ATOM 1481 CD1 LEU A 95 -1.201 -11.102 -9.888 1.00 12.55 C ATOM 1482 CD2 LEU A 95 -3.386 -11.412 -11.065 1.00 31.32 C ATOM 0 H LEU A 95 -3.643 -9.111 -7.382 1.00 5.01 H new ATOM 0 HA LEU A 95 -5.236 -10.492 -9.192 1.00 32.13 H new ATOM 0 HB2 LEU A 95 -2.658 -10.985 -7.743 1.00 22.41 H new ATOM 0 HB3 LEU A 95 -3.390 -12.336 -8.586 1.00 22.41 H new ATOM 0 HG LEU A 95 -2.803 -9.696 -9.940 1.00 40.44 H new ATOM 0 HD11 LEU A 95 -0.765 -10.760 -10.826 1.00 12.55 H new ATOM 0 HD12 LEU A 95 -0.710 -10.600 -9.055 1.00 12.55 H new ATOM 0 HD13 LEU A 95 -1.062 -12.179 -9.795 1.00 12.55 H new ATOM 0 HD21 LEU A 95 -2.918 -11.066 -11.987 1.00 31.32 H new ATOM 0 HD22 LEU A 95 -3.303 -12.497 -11.001 1.00 31.32 H new ATOM 0 HD23 LEU A 95 -4.438 -11.128 -11.063 1.00 31.32 H new ATOM 1494 N LYS A 96 -5.372 -11.668 -6.136 1.00 72.33 N ATOM 1495 CA LYS A 96 -6.088 -12.586 -5.258 1.00 13.20 C ATOM 1496 C LYS A 96 -7.511 -12.097 -5.004 1.00 63.20 C ATOM 1497 O LYS A 96 -8.344 -12.830 -4.470 1.00 1.52 O ATOM 1498 CB LYS A 96 -5.345 -12.737 -3.929 1.00 3.21 C ATOM 1499 CG LYS A 96 -4.016 -13.462 -4.054 1.00 70.04 C ATOM 1500 CD LYS A 96 -4.180 -14.814 -4.728 1.00 51.14 C ATOM 1501 CE LYS A 96 -3.891 -14.732 -6.220 1.00 13.05 C ATOM 1502 NZ LYS A 96 -2.804 -15.665 -6.626 1.00 74.21 N ATOM 0 H LYS A 96 -4.763 -11.010 -5.651 1.00 72.33 H new ATOM 0 HA LYS A 96 -6.138 -13.557 -5.752 1.00 13.20 H new ATOM 0 HB2 LYS A 96 -5.171 -11.748 -3.505 1.00 3.21 H new ATOM 0 HB3 LYS A 96 -5.980 -13.278 -3.227 1.00 3.21 H new ATOM 0 HG2 LYS A 96 -3.319 -12.851 -4.628 1.00 70.04 H new ATOM 0 HG3 LYS A 96 -3.580 -13.598 -3.064 1.00 70.04 H new ATOM 0 HD2 LYS A 96 -3.508 -15.536 -4.265 1.00 51.14 H new ATOM 0 HD3 LYS A 96 -5.195 -15.179 -4.572 1.00 51.14 H new ATOM 0 HE2 LYS A 96 -4.797 -14.965 -6.779 1.00 13.05 H new ATOM 0 HE3 LYS A 96 -3.610 -13.712 -6.480 1.00 13.05 H new ATOM 0 HZ1 LYS A 96 -2.637 -15.579 -7.649 1.00 74.21 H new ATOM 0 HZ2 LYS A 96 -1.932 -15.427 -6.112 1.00 74.21 H new ATOM 0 HZ3 LYS A 96 -3.083 -16.641 -6.401 1.00 74.21 H new ATOM 1516 N LYS A 97 -7.783 -10.856 -5.391 1.00 50.34 N ATOM 1517 CA LYS A 97 -9.105 -10.269 -5.209 1.00 34.33 C ATOM 1518 C LYS A 97 -9.953 -10.435 -6.466 1.00 64.23 C ATOM 1519 O LYS A 97 -10.832 -9.620 -6.746 1.00 55.14 O ATOM 1520 CB LYS A 97 -8.983 -8.785 -4.855 1.00 75.41 C ATOM 1521 CG LYS A 97 -8.467 -8.536 -3.449 1.00 0.32 C ATOM 1522 CD LYS A 97 -9.313 -9.251 -2.409 1.00 13.52 C ATOM 1523 CE LYS A 97 -8.570 -10.429 -1.800 1.00 22.35 C ATOM 1524 NZ LYS A 97 -9.172 -10.856 -0.506 1.00 62.11 N ATOM 0 H LYS A 97 -7.104 -10.236 -5.833 1.00 50.34 H new ATOM 0 HA LYS A 97 -9.597 -10.792 -4.389 1.00 34.33 H new ATOM 0 HB2 LYS A 97 -8.315 -8.304 -5.569 1.00 75.41 H new ATOM 0 HB3 LYS A 97 -9.959 -8.313 -4.964 1.00 75.41 H new ATOM 0 HG2 LYS A 97 -7.434 -8.875 -3.374 1.00 0.32 H new ATOM 0 HG3 LYS A 97 -8.466 -7.465 -3.245 1.00 0.32 H new ATOM 0 HD2 LYS A 97 -9.593 -8.550 -1.622 1.00 13.52 H new ATOM 0 HD3 LYS A 97 -10.237 -9.601 -2.869 1.00 13.52 H new ATOM 0 HE2 LYS A 97 -8.580 -11.265 -2.499 1.00 22.35 H new ATOM 0 HE3 LYS A 97 -7.526 -10.158 -1.643 1.00 22.35 H new ATOM 0 HZ1 LYS A 97 -8.500 -11.463 0.006 1.00 62.11 H new ATOM 0 HZ2 LYS A 97 -9.389 -10.017 0.070 1.00 62.11 H new ATOM 0 HZ3 LYS A 97 -10.048 -11.386 -0.689 1.00 62.11 H new ATOM 1538 N LEU A 98 -9.683 -11.495 -7.220 1.00 31.40 N ATOM 1539 CA LEU A 98 -10.422 -11.769 -8.448 1.00 31.14 C ATOM 1540 C LEU A 98 -10.695 -13.262 -8.597 1.00 74.32 C ATOM 1541 O LEU A 98 -10.370 -14.055 -7.713 1.00 0.30 O ATOM 1542 CB LEU A 98 -9.643 -11.258 -9.660 1.00 44.33 C ATOM 1543 CG LEU A 98 -9.045 -9.856 -9.532 1.00 14.11 C ATOM 1544 CD1 LEU A 98 -7.920 -9.661 -10.536 1.00 70.10 C ATOM 1545 CD2 LEU A 98 -10.122 -8.798 -9.723 1.00 54.11 C ATOM 0 H LEU A 98 -8.958 -12.179 -7.003 1.00 31.40 H new ATOM 0 HA LEU A 98 -11.377 -11.247 -8.392 1.00 31.14 H new ATOM 0 HB2 LEU A 98 -8.834 -11.958 -9.868 1.00 44.33 H new ATOM 0 HB3 LEU A 98 -10.306 -11.271 -10.525 1.00 44.33 H new ATOM 0 HG LEU A 98 -8.631 -9.749 -8.529 1.00 14.11 H new ATOM 0 HD11 LEU A 98 -7.507 -8.658 -10.430 1.00 70.10 H new ATOM 0 HD12 LEU A 98 -7.137 -10.397 -10.353 1.00 70.10 H new ATOM 0 HD13 LEU A 98 -8.308 -9.788 -11.547 1.00 70.10 H new ATOM 0 HD21 LEU A 98 -9.679 -7.807 -9.629 1.00 54.11 H new ATOM 0 HD22 LEU A 98 -10.565 -8.905 -10.713 1.00 54.11 H new ATOM 0 HD23 LEU A 98 -10.894 -8.924 -8.964 1.00 54.11 H new ATOM 1557 N ASP A 99 -11.293 -13.639 -9.722 1.00 62.22 N ATOM 1558 CA ASP A 99 -11.607 -15.038 -9.990 1.00 1.03 C ATOM 1559 C ASP A 99 -11.149 -15.440 -11.388 1.00 54.24 C ATOM 1560 O ASP A 99 -11.795 -15.111 -12.382 1.00 54.43 O ATOM 1561 CB ASP A 99 -13.109 -15.283 -9.841 1.00 12.11 C ATOM 1562 CG ASP A 99 -13.521 -16.662 -10.317 1.00 22.33 C ATOM 1563 OD1 ASP A 99 -12.681 -17.585 -10.261 1.00 4.13 O ATOM 1564 OD2 ASP A 99 -14.683 -16.820 -10.744 1.00 53.42 O ATOM 0 H ASP A 99 -11.570 -12.995 -10.463 1.00 62.22 H new ATOM 0 HA ASP A 99 -11.073 -15.650 -9.263 1.00 1.03 H new ATOM 0 HB2 ASP A 99 -13.392 -15.163 -8.795 1.00 12.11 H new ATOM 0 HB3 ASP A 99 -13.655 -14.528 -10.407 1.00 12.11 H new ATOM 1569 N GLY A 100 -10.029 -16.153 -11.457 1.00 73.04 N ATOM 1570 CA GLY A 100 -9.504 -16.587 -12.739 1.00 2.23 C ATOM 1571 C GLY A 100 -8.362 -15.715 -13.222 1.00 51.13 C ATOM 1572 O GLY A 100 -7.668 -16.062 -14.177 1.00 74.54 O ATOM 0 H GLY A 100 -9.476 -16.438 -10.649 1.00 73.04 H new ATOM 0 HA2 GLY A 100 -9.160 -17.618 -12.657 1.00 2.23 H new ATOM 0 HA3 GLY A 100 -10.304 -16.575 -13.479 1.00 2.23 H new ATOM 1576 N ALA A 101 -8.167 -14.578 -12.562 1.00 54.14 N ATOM 1577 CA ALA A 101 -7.102 -13.654 -12.930 1.00 42.14 C ATOM 1578 C ALA A 101 -5.751 -14.361 -12.968 1.00 51.34 C ATOM 1579 O ALA A 101 -5.136 -14.603 -11.930 1.00 24.33 O ATOM 1580 CB ALA A 101 -7.060 -12.483 -11.960 1.00 21.04 C ATOM 0 H ALA A 101 -8.733 -14.275 -11.769 1.00 54.14 H new ATOM 0 HA ALA A 101 -7.313 -13.275 -13.930 1.00 42.14 H new ATOM 0 HB1 ALA A 101 -6.260 -11.801 -12.247 1.00 21.04 H new ATOM 0 HB2 ALA A 101 -8.013 -11.955 -11.986 1.00 21.04 H new ATOM 0 HB3 ALA A 101 -6.877 -12.853 -10.951 1.00 21.04 H new ATOM 1586 N THR A 102 -5.294 -14.690 -14.173 1.00 33.13 N ATOM 1587 CA THR A 102 -4.017 -15.371 -14.346 1.00 14.11 C ATOM 1588 C THR A 102 -2.879 -14.371 -14.514 1.00 13.33 C ATOM 1589 O THR A 102 -3.048 -13.177 -14.266 1.00 70.04 O ATOM 1590 CB THR A 102 -4.043 -16.311 -15.565 1.00 70.54 C ATOM 1591 OG1 THR A 102 -3.964 -15.548 -16.774 1.00 62.34 O ATOM 1592 CG2 THR A 102 -5.310 -17.153 -15.573 1.00 72.12 C ATOM 0 H THR A 102 -5.790 -14.496 -15.043 1.00 33.13 H new ATOM 0 HA THR A 102 -3.849 -15.961 -13.445 1.00 14.11 H new ATOM 0 HB THR A 102 -3.183 -16.978 -15.500 1.00 70.54 H new ATOM 0 HG1 THR A 102 -3.979 -16.153 -17.544 1.00 62.34 H new ATOM 0 HG21 THR A 102 -5.305 -17.809 -16.444 1.00 72.12 H new ATOM 0 HG22 THR A 102 -5.353 -17.755 -14.665 1.00 72.12 H new ATOM 0 HG23 THR A 102 -6.181 -16.499 -15.616 1.00 72.12 H new ATOM 1600 N ALA A 103 -1.720 -14.865 -14.936 1.00 74.41 N ATOM 1601 CA ALA A 103 -0.555 -14.014 -15.140 1.00 11.24 C ATOM 1602 C ALA A 103 -0.542 -13.429 -16.548 1.00 2.11 C ATOM 1603 O ALA A 103 0.481 -12.926 -17.013 1.00 24.25 O ATOM 1604 CB ALA A 103 0.723 -14.797 -14.879 1.00 70.23 C ATOM 0 H ALA A 103 -1.563 -15.851 -15.143 1.00 74.41 H new ATOM 0 HA ALA A 103 -0.612 -13.187 -14.432 1.00 11.24 H new ATOM 0 HB1 ALA A 103 1.585 -14.149 -15.035 1.00 70.23 H new ATOM 0 HB2 ALA A 103 0.724 -15.160 -13.851 1.00 70.23 H new ATOM 0 HB3 ALA A 103 0.777 -15.644 -15.563 1.00 70.23 H new ATOM 1610 N VAL A 104 -1.684 -13.499 -17.223 1.00 55.45 N ATOM 1611 CA VAL A 104 -1.804 -12.975 -18.579 1.00 71.51 C ATOM 1612 C VAL A 104 -1.893 -11.454 -18.575 1.00 44.51 C ATOM 1613 O VAL A 104 -2.005 -10.825 -19.627 1.00 73.43 O ATOM 1614 CB VAL A 104 -3.042 -13.549 -19.295 1.00 3.23 C ATOM 1615 CG1 VAL A 104 -4.318 -12.982 -18.691 1.00 61.33 C ATOM 1616 CG2 VAL A 104 -2.974 -13.261 -20.787 1.00 75.41 C ATOM 0 H VAL A 104 -2.540 -13.913 -16.854 1.00 55.45 H new ATOM 0 HA VAL A 104 -0.907 -13.282 -19.117 1.00 71.51 H new ATOM 0 HB VAL A 104 -3.053 -14.630 -19.157 1.00 3.23 H new ATOM 0 HG11 VAL A 104 -5.182 -13.398 -19.209 1.00 61.33 H new ATOM 0 HG12 VAL A 104 -4.368 -13.244 -17.634 1.00 61.33 H new ATOM 0 HG13 VAL A 104 -4.320 -11.897 -18.797 1.00 61.33 H new ATOM 0 HG21 VAL A 104 -3.856 -13.673 -21.278 1.00 75.41 H new ATOM 0 HG22 VAL A 104 -2.939 -12.184 -20.948 1.00 75.41 H new ATOM 0 HG23 VAL A 104 -2.078 -13.720 -21.206 1.00 75.41 H new ATOM 1626 N ALA A 105 -1.840 -10.866 -17.384 1.00 33.40 N ATOM 1627 CA ALA A 105 -1.912 -9.417 -17.243 1.00 21.43 C ATOM 1628 C ALA A 105 -0.803 -8.733 -18.034 1.00 64.22 C ATOM 1629 O ALA A 105 0.145 -9.380 -18.481 1.00 63.52 O ATOM 1630 CB ALA A 105 -1.834 -9.026 -15.775 1.00 11.25 C ATOM 0 H ALA A 105 -1.747 -11.371 -16.503 1.00 33.40 H new ATOM 0 HA ALA A 105 -2.868 -9.084 -17.646 1.00 21.43 H new ATOM 0 HB1 ALA A 105 -1.889 -7.941 -15.684 1.00 11.25 H new ATOM 0 HB2 ALA A 105 -2.665 -9.478 -15.233 1.00 11.25 H new ATOM 0 HB3 ALA A 105 -0.892 -9.378 -15.354 1.00 11.25 H new ATOM 1636 N LEU A 106 -0.927 -7.422 -18.205 1.00 43.30 N ATOM 1637 CA LEU A 106 0.066 -6.649 -18.944 1.00 11.01 C ATOM 1638 C LEU A 106 0.340 -5.315 -18.256 1.00 61.41 C ATOM 1639 O LEU A 106 -0.561 -4.706 -17.681 1.00 73.43 O ATOM 1640 CB LEU A 106 -0.410 -6.408 -20.377 1.00 74.14 C ATOM 1641 CG LEU A 106 0.662 -6.491 -21.464 1.00 62.30 C ATOM 1642 CD1 LEU A 106 1.678 -5.371 -21.299 1.00 35.23 C ATOM 1643 CD2 LEU A 106 1.351 -7.848 -21.430 1.00 43.44 C ATOM 0 H LEU A 106 -1.705 -6.871 -17.842 1.00 43.30 H new ATOM 0 HA LEU A 106 0.993 -7.222 -18.967 1.00 11.01 H new ATOM 0 HB2 LEU A 106 -1.189 -7.135 -20.607 1.00 74.14 H new ATOM 0 HB3 LEU A 106 -0.871 -5.421 -20.424 1.00 74.14 H new ATOM 0 HG LEU A 106 0.179 -6.375 -22.434 1.00 62.30 H new ATOM 0 HD11 LEU A 106 2.433 -5.446 -22.082 1.00 35.23 H new ATOM 0 HD12 LEU A 106 1.173 -4.408 -21.374 1.00 35.23 H new ATOM 0 HD13 LEU A 106 2.157 -5.455 -20.323 1.00 35.23 H new ATOM 0 HD21 LEU A 106 2.111 -7.890 -22.210 1.00 43.44 H new ATOM 0 HD22 LEU A 106 1.821 -7.993 -20.457 1.00 43.44 H new ATOM 0 HD23 LEU A 106 0.615 -8.634 -21.598 1.00 43.44 H new ATOM 1655 N GLU A 107 1.590 -4.868 -18.322 1.00 0.53 N ATOM 1656 CA GLU A 107 1.982 -3.605 -17.706 1.00 74.01 C ATOM 1657 C GLU A 107 2.957 -2.843 -18.599 1.00 75.34 C ATOM 1658 O GLU A 107 4.158 -3.110 -18.594 1.00 11.23 O ATOM 1659 CB GLU A 107 2.617 -3.855 -16.337 1.00 34.24 C ATOM 1660 CG GLU A 107 3.739 -4.878 -16.364 1.00 64.51 C ATOM 1661 CD GLU A 107 5.054 -4.315 -15.861 1.00 24.52 C ATOM 1662 OE1 GLU A 107 5.344 -3.135 -16.148 1.00 71.30 O ATOM 1663 OE2 GLU A 107 5.794 -5.056 -15.179 1.00 12.11 O ATOM 0 H GLU A 107 2.348 -5.360 -18.795 1.00 0.53 H new ATOM 0 HA GLU A 107 1.085 -3.000 -17.578 1.00 74.01 H new ATOM 0 HB2 GLU A 107 3.005 -2.913 -15.948 1.00 34.24 H new ATOM 0 HB3 GLU A 107 1.846 -4.192 -15.644 1.00 34.24 H new ATOM 0 HG2 GLU A 107 3.458 -5.736 -15.753 1.00 64.51 H new ATOM 0 HG3 GLU A 107 3.870 -5.241 -17.383 1.00 64.51 H new ATOM 1670 N ALA A 108 2.429 -1.895 -19.367 1.00 4.34 N ATOM 1671 CA ALA A 108 3.252 -1.093 -20.264 1.00 71.42 C ATOM 1672 C ALA A 108 2.772 0.354 -20.303 1.00 64.33 C ATOM 1673 O ALA A 108 1.576 0.625 -20.196 1.00 30.12 O ATOM 1674 CB ALA A 108 3.244 -1.692 -21.663 1.00 51.00 C ATOM 0 H ALA A 108 1.436 -1.664 -19.386 1.00 4.34 H new ATOM 0 HA ALA A 108 4.273 -1.099 -19.883 1.00 71.42 H new ATOM 0 HB1 ALA A 108 3.862 -1.083 -22.323 1.00 51.00 H new ATOM 0 HB2 ALA A 108 3.641 -2.706 -21.627 1.00 51.00 H new ATOM 0 HB3 ALA A 108 2.223 -1.716 -22.043 1.00 51.00 H new ATOM 1680 N HIS A 109 3.713 1.280 -20.457 1.00 41.10 N ATOM 1681 CA HIS A 109 3.386 2.701 -20.510 1.00 72.41 C ATOM 1682 C HIS A 109 3.438 3.217 -21.945 1.00 33.22 C ATOM 1683 O HIS A 109 4.515 3.444 -22.493 1.00 44.23 O ATOM 1684 CB HIS A 109 4.349 3.501 -19.633 1.00 22.43 C ATOM 1685 CG HIS A 109 5.790 3.168 -19.868 1.00 44.12 C ATOM 1686 ND1 HIS A 109 6.424 2.100 -19.270 1.00 32.55 N ATOM 1687 CD2 HIS A 109 6.722 3.769 -20.644 1.00 43.41 C ATOM 1688 CE1 HIS A 109 7.683 2.059 -19.666 1.00 24.04 C ATOM 1689 NE2 HIS A 109 7.890 3.061 -20.501 1.00 1.33 N ATOM 0 H HIS A 109 4.708 1.072 -20.547 1.00 41.10 H new ATOM 0 HA HIS A 109 2.371 2.829 -20.133 1.00 72.41 H new ATOM 0 HB2 HIS A 109 4.196 4.565 -19.816 1.00 22.43 H new ATOM 0 HB3 HIS A 109 4.109 3.320 -18.585 1.00 22.43 H new ATOM 0 HD2 HIS A 109 6.575 4.643 -21.261 1.00 43.41 H new ATOM 0 HE1 HIS A 109 8.418 1.330 -19.359 1.00 24.04 H new ATOM 0 HE2 HIS A 109 8.773 3.274 -20.964 1.00 1.33 H new ATOM 1697 N GLU A 110 2.266 3.399 -22.546 1.00 60.41 N ATOM 1698 CA GLU A 110 2.179 3.886 -23.918 1.00 5.35 C ATOM 1699 C GLU A 110 0.789 4.444 -24.210 1.00 64.20 C ATOM 1700 O GLU A 110 -0.214 3.747 -24.060 1.00 51.42 O ATOM 1701 CB GLU A 110 2.508 2.763 -24.903 1.00 45.44 C ATOM 1702 CG GLU A 110 1.875 1.431 -24.541 1.00 62.52 C ATOM 1703 CD GLU A 110 2.890 0.417 -24.049 1.00 41.10 C ATOM 1704 OE1 GLU A 110 3.834 0.819 -23.338 1.00 3.42 O ATOM 1705 OE2 GLU A 110 2.739 -0.779 -24.375 1.00 64.04 O ATOM 0 H GLU A 110 1.365 3.217 -22.105 1.00 60.41 H new ATOM 0 HA GLU A 110 2.906 4.689 -24.038 1.00 5.35 H new ATOM 0 HB2 GLU A 110 2.175 3.055 -25.899 1.00 45.44 H new ATOM 0 HB3 GLU A 110 3.590 2.640 -24.952 1.00 45.44 H new ATOM 0 HG2 GLU A 110 1.121 1.589 -23.769 1.00 62.52 H new ATOM 0 HG3 GLU A 110 1.359 1.029 -25.413 1.00 62.52 H new ATOM 1712 N MET A 111 0.740 5.705 -24.628 1.00 32.45 N ATOM 1713 CA MET A 111 -0.527 6.356 -24.942 1.00 24.23 C ATOM 1714 C MET A 111 -1.298 5.566 -25.995 1.00 4.04 C ATOM 1715 O MET A 111 -2.522 5.649 -26.073 1.00 55.44 O ATOM 1716 CB MET A 111 -0.282 7.783 -25.436 1.00 30.04 C ATOM 1717 CG MET A 111 -1.527 8.456 -25.991 1.00 21.32 C ATOM 1718 SD MET A 111 -1.246 10.181 -26.432 1.00 1.21 S ATOM 1719 CE MET A 111 -0.323 9.995 -27.956 1.00 2.15 C ATOM 0 H MET A 111 1.562 6.296 -24.757 1.00 32.45 H new ATOM 0 HA MET A 111 -1.125 6.392 -24.031 1.00 24.23 H new ATOM 0 HB2 MET A 111 0.108 8.382 -24.613 1.00 30.04 H new ATOM 0 HB3 MET A 111 0.486 7.764 -26.209 1.00 30.04 H new ATOM 0 HG2 MET A 111 -1.868 7.911 -26.871 1.00 21.32 H new ATOM 0 HG3 MET A 111 -2.326 8.400 -25.252 1.00 21.32 H new ATOM 0 HE1 MET A 111 -0.151 10.976 -28.399 1.00 2.15 H new ATOM 0 HE2 MET A 111 0.635 9.519 -27.746 1.00 2.15 H new ATOM 0 HE3 MET A 111 -0.890 9.377 -28.652 1.00 2.15 H new ATOM 1729 N GLY A 112 -0.571 4.799 -26.803 1.00 13.53 N ATOM 1730 CA GLY A 112 -1.204 4.007 -27.840 1.00 75.52 C ATOM 1731 C GLY A 112 -1.919 2.790 -27.285 1.00 54.55 C ATOM 1732 O GLY A 112 -2.704 2.150 -27.986 1.00 0.24 O ATOM 0 H GLY A 112 0.444 4.713 -26.757 1.00 13.53 H new ATOM 0 HA2 GLY A 112 -1.917 4.628 -28.383 1.00 75.52 H new ATOM 0 HA3 GLY A 112 -0.450 3.685 -28.559 1.00 75.52 H new ATOM 1736 N ASP A 113 -1.647 2.470 -26.025 1.00 53.13 N ATOM 1737 CA ASP A 113 -2.270 1.322 -25.377 1.00 20.22 C ATOM 1738 C ASP A 113 -3.763 1.558 -25.170 1.00 3.24 C ATOM 1739 O ASP A 113 -4.565 0.626 -25.236 1.00 60.21 O ATOM 1740 CB ASP A 113 -1.594 1.039 -24.034 1.00 55.20 C ATOM 1741 CG ASP A 113 -2.341 0.003 -23.217 1.00 62.43 C ATOM 1742 OD1 ASP A 113 -2.705 -1.049 -23.784 1.00 32.44 O ATOM 1743 OD2 ASP A 113 -2.560 0.243 -22.012 1.00 24.12 O ATOM 0 H ASP A 113 -0.999 2.989 -25.432 1.00 53.13 H new ATOM 0 HA ASP A 113 -2.145 0.456 -26.028 1.00 20.22 H new ATOM 0 HB2 ASP A 113 -0.575 0.694 -24.209 1.00 55.20 H new ATOM 0 HB3 ASP A 113 -1.523 1.965 -23.464 1.00 55.20 H new ATOM 1748 N LEU A 114 -4.129 2.810 -24.917 1.00 43.03 N ATOM 1749 CA LEU A 114 -5.526 3.169 -24.699 1.00 4.50 C ATOM 1750 C LEU A 114 -6.096 3.899 -25.911 1.00 2.41 C ATOM 1751 O LEU A 114 -7.201 4.438 -25.860 1.00 11.00 O ATOM 1752 CB LEU A 114 -5.658 4.046 -23.452 1.00 53.04 C ATOM 1753 CG LEU A 114 -4.581 5.115 -23.266 1.00 30.03 C ATOM 1754 CD1 LEU A 114 -5.203 6.425 -22.807 1.00 63.11 C ATOM 1755 CD2 LEU A 114 -3.530 4.645 -22.271 1.00 64.53 C ATOM 0 H LEU A 114 -3.478 3.593 -24.858 1.00 43.03 H new ATOM 0 HA LEU A 114 -6.094 2.250 -24.552 1.00 4.50 H new ATOM 0 HB2 LEU A 114 -6.630 4.539 -23.480 1.00 53.04 H new ATOM 0 HB3 LEU A 114 -5.654 3.399 -22.575 1.00 53.04 H new ATOM 0 HG LEU A 114 -4.094 5.284 -24.226 1.00 30.03 H new ATOM 0 HD11 LEU A 114 -4.421 7.174 -22.680 1.00 63.11 H new ATOM 0 HD12 LEU A 114 -5.918 6.770 -23.554 1.00 63.11 H new ATOM 0 HD13 LEU A 114 -5.716 6.271 -21.858 1.00 63.11 H new ATOM 0 HD21 LEU A 114 -2.771 5.418 -22.151 1.00 64.53 H new ATOM 0 HD22 LEU A 114 -4.002 4.448 -21.309 1.00 64.53 H new ATOM 0 HD23 LEU A 114 -3.062 3.732 -22.640 1.00 64.53 H new ATOM 1767 N ALA A 115 -5.335 3.911 -27.000 1.00 43.12 N ATOM 1768 CA ALA A 115 -5.766 4.571 -28.226 1.00 61.24 C ATOM 1769 C ALA A 115 -6.908 3.807 -28.888 1.00 51.31 C ATOM 1770 O ALA A 115 -8.016 4.318 -29.051 1.00 53.40 O ATOM 1771 CB ALA A 115 -4.596 4.713 -29.189 1.00 31.22 C ATOM 0 H ALA A 115 -4.417 3.471 -27.058 1.00 43.12 H new ATOM 0 HA ALA A 115 -6.131 5.565 -27.965 1.00 61.24 H new ATOM 0 HB1 ALA A 115 -4.933 5.208 -30.100 1.00 31.22 H new ATOM 0 HB2 ALA A 115 -3.811 5.308 -28.722 1.00 31.22 H new ATOM 0 HB3 ALA A 115 -4.206 3.726 -29.435 1.00 31.22 H new ATOM 1777 N PRO A 116 -6.634 2.554 -29.280 1.00 14.01 N ATOM 1778 CA PRO A 116 -7.627 1.694 -29.931 1.00 21.54 C ATOM 1779 C PRO A 116 -8.732 1.258 -28.975 1.00 31.23 C ATOM 1780 O PRO A 116 -9.698 0.609 -29.380 1.00 25.11 O ATOM 1781 CB PRO A 116 -6.805 0.485 -30.385 1.00 30.44 C ATOM 1782 CG PRO A 116 -5.641 0.447 -29.455 1.00 51.45 C ATOM 1783 CD PRO A 116 -5.335 1.880 -29.117 1.00 51.34 C ATOM 0 HA PRO A 116 -8.141 2.207 -30.744 1.00 21.54 H new ATOM 0 HB2 PRO A 116 -7.388 -0.434 -30.327 1.00 30.44 H new ATOM 0 HB3 PRO A 116 -6.481 0.593 -31.420 1.00 30.44 H new ATOM 0 HG2 PRO A 116 -5.877 -0.124 -28.557 1.00 51.45 H new ATOM 0 HG3 PRO A 116 -4.783 -0.036 -29.923 1.00 51.45 H new ATOM 0 HD2 PRO A 116 -4.955 1.981 -28.100 1.00 51.34 H new ATOM 0 HD3 PRO A 116 -4.579 2.297 -29.783 1.00 51.34 H new ATOM 1791 N LEU A 117 -8.585 1.618 -27.705 1.00 12.25 N ATOM 1792 CA LEU A 117 -9.572 1.265 -26.690 1.00 31.40 C ATOM 1793 C LEU A 117 -10.323 -0.005 -27.079 1.00 45.03 C ATOM 1794 O LEU A 117 -9.863 -1.115 -26.814 1.00 72.31 O ATOM 1795 CB LEU A 117 -10.561 2.414 -26.490 1.00 11.32 C ATOM 1796 CG LEU A 117 -10.771 3.336 -27.692 1.00 33.23 C ATOM 1797 CD1 LEU A 117 -12.250 3.447 -28.027 1.00 15.12 C ATOM 1798 CD2 LEU A 117 -10.179 4.711 -27.419 1.00 73.04 C ATOM 0 H LEU A 117 -7.792 2.154 -27.353 1.00 12.25 H new ATOM 0 HA LEU A 117 -9.044 1.081 -25.754 1.00 31.40 H new ATOM 0 HB2 LEU A 117 -11.526 1.992 -26.209 1.00 11.32 H new ATOM 0 HB3 LEU A 117 -10.220 3.018 -25.649 1.00 11.32 H new ATOM 0 HG LEU A 117 -10.256 2.905 -28.551 1.00 33.23 H new ATOM 0 HD11 LEU A 117 -12.380 4.107 -28.885 1.00 15.12 H new ATOM 0 HD12 LEU A 117 -12.644 2.459 -28.266 1.00 15.12 H new ATOM 0 HD13 LEU A 117 -12.787 3.855 -27.171 1.00 15.12 H new ATOM 0 HD21 LEU A 117 -10.338 5.354 -28.285 1.00 73.04 H new ATOM 0 HD22 LEU A 117 -10.665 5.150 -26.547 1.00 73.04 H new ATOM 0 HD23 LEU A 117 -9.110 4.616 -27.229 1.00 73.04 H new ATOM 1810 N ALA A 118 -11.479 0.168 -27.712 1.00 24.42 N ATOM 1811 CA ALA A 118 -12.291 -0.964 -28.142 1.00 5.03 C ATOM 1812 C ALA A 118 -11.713 -1.608 -29.398 1.00 34.04 C ATOM 1813 O ALA A 118 -10.858 -2.491 -29.317 1.00 52.22 O ATOM 1814 CB ALA A 118 -13.726 -0.522 -28.385 1.00 2.50 C ATOM 0 H ALA A 118 -11.874 1.081 -27.938 1.00 24.42 H new ATOM 0 HA ALA A 118 -12.282 -1.709 -27.347 1.00 5.03 H new ATOM 0 HB1 ALA A 118 -14.321 -1.377 -28.706 1.00 2.50 H new ATOM 0 HB2 ALA A 118 -14.142 -0.115 -27.463 1.00 2.50 H new ATOM 0 HB3 ALA A 118 -13.744 0.244 -29.160 1.00 2.50 H new TER 1820 ALA A 118