USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 924 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 116 ASN : amide:sc= 0.58 K(o=1.1,f=-0.92) USER MOD Set 1.2: A 118 SER OG : rot -2:sc= 0.565 USER MOD Set 2.1: A 97 ASN : amide:sc= 1.07 K(o=2.3,f=-1.6) USER MOD Set 2.2: A 108 THR OG1 : rot -88:sc= 1.27 USER MOD Set 3.1: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 102 LYS NZ :NH3+ 158:sc= 1.29 (180deg=-0.326) USER MOD Set 4.1: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 68 SER OG : rot 160:sc= 0.284 USER MOD Set 5.2: A 74 LYS NZ :NH3+ 169:sc= 0.301 (180deg=0) USER MOD Set 6.1: A 71 ASN : amide:sc= 0.87 K(o=0.84,f=-9!) USER MOD Set 6.2: A 89 ASN : amide:sc= -0.0321 K(o=0.84,f=-9) USER MOD Set 7.1: A 56 GLN : amide:sc= 1.1 K(o=1.1,f=-0.41) USER MOD Set 7.2: A 59 GLN : amide:sc= 0 X(o=1.1,f=0.63) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 129:sc= 1.23 (180deg=0.525) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.017 K(o=-0.017,f=-0.93) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 19 ASN : amide:sc= -0.655 K(o=-0.65,f=-0.0013) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 31 GLN : amide:sc= -0.0399 K(o=-0.04,f=-1.1!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 33 SER OG : rot 170:sc= 1.21 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -13:sc= 0.891 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00221 X(o=-0.0022,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -29:sc= 0.0593 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 72 THR OG1 : rot 25:sc= 0.336 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 93 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.018) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -72:sc= 1.01 USER MOD Single : A 105 GLN : amide:sc= -1.78! C(o=-1.8!,f=-6.5!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 117 ASN : amide:sc= 0.144 K(o=0.14,f=-4.3!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.26 USER MOD Single : A 122 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.36) USER MOD Single : A 123 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HE2:sc= 0.948 K(o=0.95,f=-3!) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc=-0.00341 X(o=-0.0034,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 93.714 37.215 -70.231 1.00 0.00 N ATOM 2 CA MET A 1 92.451 37.523 -69.530 1.00 52.33 C ATOM 3 C MET A 1 91.718 36.237 -69.177 1.00 71.33 C ATOM 4 O MET A 1 91.445 35.985 -68.001 1.00 1.24 O ATOM 5 CB MET A 1 91.538 38.405 -70.391 1.00 2.44 C ATOM 6 CG MET A 1 92.118 39.773 -70.717 1.00 75.50 C ATOM 7 SD MET A 1 93.504 39.696 -71.865 1.00 21.34 S ATOM 8 CE MET A 1 93.909 41.433 -72.009 1.00 13.04 C ATOM 0 H1 MET A 1 93.768 37.770 -71.109 1.00 0.00 H new ATOM 0 H2 MET A 1 94.519 37.456 -69.618 1.00 0.00 H new ATOM 0 H3 MET A 1 93.745 36.201 -70.460 1.00 0.00 H new ATOM 0 HA MET A 1 92.702 38.066 -68.619 1.00 52.33 H new ATOM 0 HB2 MET A 1 91.322 37.883 -71.323 1.00 2.44 H new ATOM 0 HB3 MET A 1 90.588 38.540 -69.873 1.00 2.44 H new ATOM 0 HG2 MET A 1 91.335 40.401 -71.143 1.00 75.50 H new ATOM 0 HG3 MET A 1 92.444 40.252 -69.794 1.00 75.50 H new ATOM 0 HE1 MET A 1 94.752 41.555 -72.689 1.00 13.04 H new ATOM 0 HE2 MET A 1 93.048 41.976 -72.398 1.00 13.04 H new ATOM 0 HE3 MET A 1 94.174 41.827 -71.028 1.00 13.04 H new ATOM 20 N ALA A 2 91.419 35.429 -70.206 1.00 12.30 N ATOM 21 CA ALA A 2 90.649 34.187 -70.065 1.00 21.34 C ATOM 22 C ALA A 2 89.207 34.485 -69.659 1.00 14.20 C ATOM 23 O ALA A 2 88.281 34.294 -70.443 1.00 72.13 O ATOM 24 CB ALA A 2 91.310 33.230 -69.077 1.00 74.23 C ATOM 0 H ALA A 2 91.708 35.622 -71.165 1.00 12.30 H new ATOM 0 HA ALA A 2 90.633 33.694 -71.037 1.00 21.34 H new ATOM 0 HB1 ALA A 2 90.714 32.321 -68.997 1.00 74.23 H new ATOM 0 HB2 ALA A 2 92.310 32.978 -69.429 1.00 74.23 H new ATOM 0 HB3 ALA A 2 91.378 33.707 -68.099 1.00 74.23 H new ATOM 30 N GLY A 3 89.036 34.967 -68.441 1.00 50.23 N ATOM 31 CA GLY A 3 87.727 35.331 -67.950 1.00 65.14 C ATOM 32 C GLY A 3 87.827 36.068 -66.636 1.00 23.21 C ATOM 33 O GLY A 3 87.745 35.453 -65.575 1.00 32.24 O ATOM 0 H GLY A 3 89.794 35.114 -67.774 1.00 50.23 H new ATOM 0 HA2 GLY A 3 87.220 35.957 -68.684 1.00 65.14 H new ATOM 0 HA3 GLY A 3 87.120 34.434 -67.823 1.00 65.14 H new ATOM 37 N THR A 4 88.034 37.374 -66.705 1.00 43.32 N ATOM 38 CA THR A 4 88.182 38.189 -65.508 1.00 31.21 C ATOM 39 C THR A 4 86.854 38.275 -64.758 1.00 2.41 C ATOM 40 O THR A 4 85.906 38.912 -65.219 1.00 63.23 O ATOM 41 CB THR A 4 88.681 39.605 -65.870 1.00 4.31 C ATOM 42 OG1 THR A 4 89.836 39.509 -66.722 1.00 72.25 O ATOM 43 CG2 THR A 4 89.038 40.395 -64.619 1.00 71.44 C ATOM 0 H THR A 4 88.104 37.894 -67.580 1.00 43.32 H new ATOM 0 HA THR A 4 88.922 37.717 -64.862 1.00 31.21 H new ATOM 0 HB THR A 4 87.878 40.127 -66.391 1.00 4.31 H new ATOM 0 HG1 THR A 4 90.149 40.409 -66.951 1.00 72.25 H new ATOM 0 HG21 THR A 4 89.386 41.388 -64.903 1.00 71.44 H new ATOM 0 HG22 THR A 4 88.157 40.487 -63.983 1.00 71.44 H new ATOM 0 HG23 THR A 4 89.826 39.876 -64.074 1.00 71.44 H new ATOM 51 N MET A 5 86.780 37.608 -63.613 1.00 11.31 N ATOM 52 CA MET A 5 85.535 37.515 -62.865 1.00 75.43 C ATOM 53 C MET A 5 85.645 38.229 -61.527 1.00 15.13 C ATOM 54 O MET A 5 86.546 37.952 -60.735 1.00 24.32 O ATOM 55 CB MET A 5 85.172 36.045 -62.634 1.00 22.24 C ATOM 56 CG MET A 5 85.122 35.231 -63.912 1.00 23.44 C ATOM 57 SD MET A 5 84.855 33.474 -63.612 1.00 11.43 S ATOM 58 CE MET A 5 85.095 32.824 -65.262 1.00 45.42 C ATOM 0 H MET A 5 87.568 37.124 -63.183 1.00 11.31 H new ATOM 0 HA MET A 5 84.753 37.998 -63.450 1.00 75.43 H new ATOM 0 HB2 MET A 5 85.901 35.600 -61.957 1.00 22.24 H new ATOM 0 HB3 MET A 5 84.202 35.991 -62.139 1.00 22.24 H new ATOM 0 HG2 MET A 5 84.323 35.612 -64.549 1.00 23.44 H new ATOM 0 HG3 MET A 5 86.056 35.364 -64.459 1.00 23.44 H new ATOM 0 HE1 MET A 5 84.964 31.742 -65.249 1.00 45.42 H new ATOM 0 HE2 MET A 5 84.366 33.270 -65.938 1.00 45.42 H new ATOM 0 HE3 MET A 5 86.102 33.063 -65.604 1.00 45.42 H new ATOM 68 N THR A 6 84.741 39.160 -61.290 1.00 41.42 N ATOM 69 CA THR A 6 84.656 39.828 -60.004 1.00 43.12 C ATOM 70 C THR A 6 83.192 40.059 -59.633 1.00 64.43 C ATOM 71 O THR A 6 82.786 39.783 -58.503 1.00 60.42 O ATOM 72 CB THR A 6 85.461 41.161 -59.988 1.00 74.21 C ATOM 73 OG1 THR A 6 85.382 41.783 -58.699 1.00 54.11 O ATOM 74 CG2 THR A 6 84.973 42.133 -61.055 1.00 62.12 C ATOM 0 H THR A 6 84.052 39.473 -61.974 1.00 41.42 H new ATOM 0 HA THR A 6 85.110 39.180 -59.254 1.00 43.12 H new ATOM 0 HB THR A 6 86.499 40.910 -60.207 1.00 74.21 H new ATOM 0 HG1 THR A 6 85.895 42.618 -58.707 1.00 54.11 H new ATOM 0 HG21 THR A 6 85.561 43.049 -61.009 1.00 62.12 H new ATOM 0 HG22 THR A 6 85.085 41.679 -62.040 1.00 62.12 H new ATOM 0 HG23 THR A 6 83.923 42.367 -60.881 1.00 62.12 H new ATOM 82 N PHE A 7 82.405 40.504 -60.624 1.00 42.33 N ATOM 83 CA PHE A 7 80.971 40.770 -60.473 1.00 74.33 C ATOM 84 C PHE A 7 80.686 41.770 -59.351 1.00 63.13 C ATOM 85 O PHE A 7 80.860 41.476 -58.169 1.00 64.35 O ATOM 86 CB PHE A 7 80.205 39.464 -60.237 1.00 24.13 C ATOM 87 CG PHE A 7 80.257 38.520 -61.408 1.00 71.12 C ATOM 88 CD1 PHE A 7 81.281 37.591 -61.523 1.00 75.04 C ATOM 89 CD2 PHE A 7 79.282 38.563 -62.393 1.00 54.44 C ATOM 90 CE1 PHE A 7 81.332 36.724 -62.600 1.00 24.44 C ATOM 91 CE2 PHE A 7 79.327 37.699 -63.471 1.00 13.11 C ATOM 92 CZ PHE A 7 80.352 36.777 -63.574 1.00 63.23 C ATOM 0 H PHE A 7 82.754 40.691 -61.564 1.00 42.33 H new ATOM 0 HA PHE A 7 80.625 41.221 -61.403 1.00 74.33 H new ATOM 0 HB2 PHE A 7 80.615 38.965 -59.359 1.00 24.13 H new ATOM 0 HB3 PHE A 7 79.164 39.697 -60.014 1.00 24.13 H new ATOM 0 HD1 PHE A 7 82.047 37.544 -60.763 1.00 75.04 H new ATOM 0 HD2 PHE A 7 78.478 39.280 -62.317 1.00 54.44 H new ATOM 0 HE1 PHE A 7 82.136 36.007 -62.680 1.00 24.44 H new ATOM 0 HE2 PHE A 7 78.562 37.744 -64.232 1.00 13.11 H new ATOM 0 HZ PHE A 7 80.387 36.099 -64.414 1.00 63.23 H new ATOM 102 N GLN A 8 80.201 42.944 -59.725 1.00 31.11 N ATOM 103 CA GLN A 8 79.971 44.001 -58.756 1.00 22.32 C ATOM 104 C GLN A 8 78.505 44.059 -58.349 1.00 73.41 C ATOM 105 O GLN A 8 77.695 44.734 -58.985 1.00 70.13 O ATOM 106 CB GLN A 8 80.422 45.347 -59.321 1.00 44.31 C ATOM 107 CG GLN A 8 81.849 45.328 -59.851 1.00 2.34 C ATOM 108 CD GLN A 8 82.335 46.699 -60.269 1.00 35.43 C ATOM 109 OE1 GLN A 8 82.161 47.113 -61.414 1.00 50.31 O ATOM 110 NE2 GLN A 8 82.963 47.404 -59.345 1.00 14.45 N ATOM 0 H GLN A 8 79.961 43.187 -60.686 1.00 31.11 H new ATOM 0 HA GLN A 8 80.560 43.780 -57.866 1.00 22.32 H new ATOM 0 HB2 GLN A 8 79.747 45.641 -60.125 1.00 44.31 H new ATOM 0 HB3 GLN A 8 80.341 46.106 -58.543 1.00 44.31 H new ATOM 0 HG2 GLN A 8 82.512 44.931 -59.083 1.00 2.34 H new ATOM 0 HG3 GLN A 8 81.907 44.651 -60.703 1.00 2.34 H new ATOM 0 HE21 GLN A 8 83.085 47.022 -58.407 1.00 14.45 H new ATOM 0 HE22 GLN A 8 83.326 48.331 -59.569 1.00 14.45 H new ATOM 119 N PHE A 9 78.170 43.325 -57.301 1.00 73.24 N ATOM 120 CA PHE A 9 76.818 43.314 -56.765 1.00 4.13 C ATOM 121 C PHE A 9 76.829 43.804 -55.323 1.00 32.53 C ATOM 122 O PHE A 9 77.207 43.066 -54.413 1.00 20.24 O ATOM 123 CB PHE A 9 76.215 41.907 -56.837 1.00 55.13 C ATOM 124 CG PHE A 9 75.975 41.416 -58.237 1.00 3.12 C ATOM 125 CD1 PHE A 9 76.953 40.713 -58.919 1.00 54.02 C ATOM 126 CD2 PHE A 9 74.763 41.651 -58.865 1.00 53.11 C ATOM 127 CE1 PHE A 9 76.729 40.255 -60.202 1.00 4.52 C ATOM 128 CE2 PHE A 9 74.533 41.196 -60.149 1.00 31.40 C ATOM 129 CZ PHE A 9 75.517 40.498 -60.818 1.00 63.11 C ATOM 0 H PHE A 9 78.823 42.723 -56.800 1.00 73.24 H new ATOM 0 HA PHE A 9 76.202 43.982 -57.367 1.00 4.13 H new ATOM 0 HB2 PHE A 9 76.881 41.211 -56.328 1.00 55.13 H new ATOM 0 HB3 PHE A 9 75.270 41.899 -56.293 1.00 55.13 H new ATOM 0 HD1 PHE A 9 77.903 40.520 -58.442 1.00 54.02 H new ATOM 0 HD2 PHE A 9 73.989 42.196 -58.345 1.00 53.11 H new ATOM 0 HE1 PHE A 9 77.500 39.708 -60.723 1.00 4.52 H new ATOM 0 HE2 PHE A 9 73.584 41.386 -60.628 1.00 31.40 H new ATOM 0 HZ PHE A 9 75.340 40.142 -61.822 1.00 63.11 H new ATOM 139 N ARG A 10 76.451 45.060 -55.126 1.00 62.51 N ATOM 140 CA ARG A 10 76.429 45.647 -53.792 1.00 44.32 C ATOM 141 C ARG A 10 75.048 46.208 -53.474 1.00 21.34 C ATOM 142 O ARG A 10 74.316 45.634 -52.665 1.00 35.21 O ATOM 143 CB ARG A 10 77.484 46.749 -53.667 1.00 21.20 C ATOM 144 CG ARG A 10 78.907 46.256 -53.864 1.00 72.03 C ATOM 145 CD ARG A 10 79.295 45.235 -52.805 1.00 53.43 C ATOM 146 NE ARG A 10 80.638 44.707 -53.024 1.00 61.25 N ATOM 147 CZ ARG A 10 81.387 44.159 -52.070 1.00 52.03 C ATOM 148 NH1 ARG A 10 80.923 44.049 -50.831 1.00 11.40 N1+ ATOM 149 NH2 ARG A 10 82.601 43.712 -52.358 1.00 60.33 N ATOM 0 H ARG A 10 76.156 45.691 -55.871 1.00 62.51 H new ATOM 0 HA ARG A 10 76.661 44.860 -53.074 1.00 44.32 H new ATOM 0 HB2 ARG A 10 77.273 47.527 -54.401 1.00 21.20 H new ATOM 0 HB3 ARG A 10 77.401 47.209 -52.682 1.00 21.20 H new ATOM 0 HG2 ARG A 10 79.005 45.810 -54.854 1.00 72.03 H new ATOM 0 HG3 ARG A 10 79.595 47.101 -53.825 1.00 72.03 H new ATOM 0 HD2 ARG A 10 79.243 45.697 -51.819 1.00 53.43 H new ATOM 0 HD3 ARG A 10 78.577 44.415 -52.811 1.00 53.43 H new ATOM 0 HE ARG A 10 81.026 44.761 -53.966 1.00 61.25 H new ATOM 0 HH11 ARG A 10 79.987 44.386 -50.605 1.00 11.40 H new ATOM 0 HH12 ARG A 10 81.503 43.628 -50.105 1.00 11.40 H new ATOM 0 HH21 ARG A 10 82.960 43.788 -53.310 1.00 60.33 H new ATOM 0 HH22 ARG A 10 83.176 43.292 -51.628 1.00 60.33 H new ATOM 163 N ASN A 11 74.703 47.321 -54.134 1.00 4.11 N ATOM 164 CA ASN A 11 73.414 48.001 -53.939 1.00 44.33 C ATOM 165 C ASN A 11 73.343 48.689 -52.575 1.00 62.55 C ATOM 166 O ASN A 11 73.938 48.225 -51.600 1.00 3.33 O ATOM 167 CB ASN A 11 72.236 47.031 -54.102 1.00 42.41 C ATOM 168 CG ASN A 11 72.080 46.538 -55.529 1.00 62.50 C ATOM 169 OD1 ASN A 11 72.387 47.254 -56.484 1.00 63.14 O ATOM 170 ND2 ASN A 11 71.607 45.313 -55.684 1.00 43.24 N ATOM 0 H ASN A 11 75.308 47.776 -54.818 1.00 4.11 H new ATOM 0 HA ASN A 11 73.340 48.765 -54.713 1.00 44.33 H new ATOM 0 HB2 ASN A 11 72.379 46.177 -53.440 1.00 42.41 H new ATOM 0 HB3 ASN A 11 71.316 47.526 -53.790 1.00 42.41 H new ATOM 0 HD21 ASN A 11 71.484 44.928 -56.621 1.00 43.24 H new ATOM 0 HD22 ASN A 11 71.365 44.753 -54.867 1.00 43.24 H new ATOM 177 N PRO A 12 72.619 49.822 -52.494 1.00 71.33 N ATOM 178 CA PRO A 12 72.475 50.592 -51.250 1.00 34.14 C ATOM 179 C PRO A 12 71.872 49.764 -50.119 1.00 51.42 C ATOM 180 O PRO A 12 72.441 49.685 -49.030 1.00 63.23 O ATOM 181 CB PRO A 12 71.532 51.736 -51.636 1.00 5.44 C ATOM 182 CG PRO A 12 71.637 51.843 -53.117 1.00 13.40 C ATOM 183 CD PRO A 12 71.897 50.449 -53.614 1.00 22.12 C ATOM 0 HA PRO A 12 73.440 50.930 -50.873 1.00 34.14 H new ATOM 0 HB2 PRO A 12 70.508 51.524 -51.328 1.00 5.44 H new ATOM 0 HB3 PRO A 12 71.824 52.668 -51.152 1.00 5.44 H new ATOM 0 HG2 PRO A 12 70.719 52.245 -53.545 1.00 13.40 H new ATOM 0 HG3 PRO A 12 72.445 52.517 -53.404 1.00 13.40 H new ATOM 0 HD2 PRO A 12 70.970 49.923 -53.840 1.00 22.12 H new ATOM 0 HD3 PRO A 12 72.493 50.451 -54.527 1.00 22.12 H new ATOM 191 N ASN A 13 70.724 49.144 -50.398 1.00 41.30 N ATOM 192 CA ASN A 13 70.016 48.309 -49.424 1.00 75.43 C ATOM 193 C ASN A 13 69.574 49.131 -48.216 1.00 53.44 C ATOM 194 O ASN A 13 70.245 49.160 -47.181 1.00 60.03 O ATOM 195 CB ASN A 13 70.883 47.122 -48.980 1.00 5.35 C ATOM 196 CG ASN A 13 71.212 46.179 -50.124 1.00 12.51 C ATOM 197 OD1 ASN A 13 70.413 45.995 -51.045 1.00 74.54 O ATOM 198 ND2 ASN A 13 72.399 45.591 -50.087 1.00 31.22 N ATOM 0 H ASN A 13 70.259 49.206 -51.304 1.00 41.30 H new ATOM 0 HA ASN A 13 69.125 47.915 -49.913 1.00 75.43 H new ATOM 0 HB2 ASN A 13 71.810 47.496 -48.545 1.00 5.35 H new ATOM 0 HB3 ASN A 13 70.363 46.570 -48.197 1.00 5.35 H new ATOM 0 HD21 ASN A 13 72.679 44.960 -50.838 1.00 31.22 H new ATOM 0 HD22 ASN A 13 73.032 45.769 -49.307 1.00 31.22 H new ATOM 205 N PHE A 14 68.453 49.825 -48.367 1.00 62.35 N ATOM 206 CA PHE A 14 67.918 50.667 -47.302 1.00 0.14 C ATOM 207 C PHE A 14 67.055 49.850 -46.350 1.00 75.23 C ATOM 208 O PHE A 14 66.672 48.722 -46.661 1.00 23.43 O ATOM 209 CB PHE A 14 67.087 51.812 -47.887 1.00 41.22 C ATOM 210 CG PHE A 14 67.854 52.714 -48.815 1.00 21.33 C ATOM 211 CD1 PHE A 14 67.652 52.652 -50.185 1.00 5.43 C ATOM 212 CD2 PHE A 14 68.775 53.627 -48.319 1.00 23.12 C ATOM 213 CE1 PHE A 14 68.348 53.483 -51.043 1.00 32.32 C ATOM 214 CE2 PHE A 14 69.475 54.460 -49.172 1.00 54.41 C ATOM 215 CZ PHE A 14 69.260 54.388 -50.535 1.00 3.14 C ATOM 0 H PHE A 14 67.894 49.822 -49.220 1.00 62.35 H new ATOM 0 HA PHE A 14 68.761 51.082 -46.750 1.00 0.14 H new ATOM 0 HB2 PHE A 14 66.237 51.392 -48.425 1.00 41.22 H new ATOM 0 HB3 PHE A 14 66.683 52.409 -47.069 1.00 41.22 H new ATOM 0 HD1 PHE A 14 66.941 51.945 -50.587 1.00 5.43 H new ATOM 0 HD2 PHE A 14 68.947 53.687 -47.254 1.00 23.12 H new ATOM 0 HE1 PHE A 14 68.179 53.425 -52.108 1.00 32.32 H new ATOM 0 HE2 PHE A 14 70.189 55.166 -48.774 1.00 54.41 H new ATOM 0 HZ PHE A 14 69.805 55.039 -51.203 1.00 3.14 H new ATOM 225 N GLY A 15 66.754 50.421 -45.194 1.00 54.15 N ATOM 226 CA GLY A 15 65.882 49.762 -44.247 1.00 71.23 C ATOM 227 C GLY A 15 64.559 50.488 -44.119 1.00 65.22 C ATOM 228 O GLY A 15 63.496 49.913 -44.357 1.00 42.44 O ATOM 0 H GLY A 15 67.100 51.333 -44.895 1.00 54.15 H new ATOM 0 HA2 GLY A 15 65.706 48.735 -44.566 1.00 71.23 H new ATOM 0 HA3 GLY A 15 66.369 49.715 -43.273 1.00 71.23 H new ATOM 232 N GLY A 16 64.626 51.764 -43.768 1.00 14.53 N ATOM 233 CA GLY A 16 63.424 52.564 -43.641 1.00 0.24 C ATOM 234 C GLY A 16 62.981 52.720 -42.203 1.00 22.35 C ATOM 235 O GLY A 16 63.553 52.109 -41.299 1.00 73.33 O ATOM 0 H GLY A 16 65.494 52.261 -43.568 1.00 14.53 H new ATOM 0 HA2 GLY A 16 63.600 53.549 -44.072 1.00 0.24 H new ATOM 0 HA3 GLY A 16 62.622 52.103 -44.217 1.00 0.24 H new ATOM 239 N ASN A 17 61.948 53.520 -41.990 1.00 43.33 N ATOM 240 CA ASN A 17 61.452 53.789 -40.648 1.00 1.12 C ATOM 241 C ASN A 17 59.973 53.427 -40.559 1.00 62.33 C ATOM 242 O ASN A 17 59.260 53.475 -41.560 1.00 61.32 O ATOM 243 CB ASN A 17 61.675 55.266 -40.279 1.00 21.55 C ATOM 244 CG ASN A 17 60.751 56.221 -41.020 1.00 72.14 C ATOM 245 OD1 ASN A 17 59.665 56.545 -40.542 1.00 51.22 O ATOM 246 ND2 ASN A 17 61.174 56.685 -42.189 1.00 0.34 N ATOM 0 H ASN A 17 61.435 53.996 -42.732 1.00 43.33 H new ATOM 0 HA ASN A 17 62.004 53.175 -39.936 1.00 1.12 H new ATOM 0 HB2 ASN A 17 61.529 55.391 -39.206 1.00 21.55 H new ATOM 0 HB3 ASN A 17 62.710 55.534 -40.493 1.00 21.55 H new ATOM 0 HD21 ASN A 17 60.592 57.332 -42.722 1.00 0.34 H new ATOM 0 HD22 ASN A 17 62.081 56.395 -42.555 1.00 0.34 H new ATOM 253 N PRO A 18 59.498 53.027 -39.369 1.00 24.35 N ATOM 254 CA PRO A 18 58.089 52.669 -39.153 1.00 21.23 C ATOM 255 C PRO A 18 57.140 53.852 -39.351 1.00 14.44 C ATOM 256 O PRO A 18 56.032 53.683 -39.872 1.00 61.41 O ATOM 257 CB PRO A 18 58.049 52.197 -37.694 1.00 45.30 C ATOM 258 CG PRO A 18 59.466 51.909 -37.331 1.00 32.23 C ATOM 259 CD PRO A 18 60.299 52.857 -38.148 1.00 15.21 C ATOM 0 HA PRO A 18 57.758 51.917 -39.869 1.00 21.23 H new ATOM 0 HB2 PRO A 18 57.625 52.963 -37.045 1.00 45.30 H new ATOM 0 HB3 PRO A 18 57.427 51.308 -37.586 1.00 45.30 H new ATOM 0 HG2 PRO A 18 59.635 52.060 -36.265 1.00 32.23 H new ATOM 0 HG3 PRO A 18 59.723 50.873 -37.551 1.00 32.23 H new ATOM 0 HD2 PRO A 18 60.456 53.804 -37.632 1.00 15.21 H new ATOM 0 HD3 PRO A 18 61.285 52.445 -38.365 1.00 15.21 H new ATOM 267 N ASN A 19 57.591 55.037 -38.930 1.00 23.42 N ATOM 268 CA ASN A 19 56.806 56.278 -39.017 1.00 64.52 C ATOM 269 C ASN A 19 55.650 56.267 -38.019 1.00 63.24 C ATOM 270 O ASN A 19 54.989 55.248 -37.819 1.00 74.52 O ATOM 271 CB ASN A 19 56.265 56.518 -40.435 1.00 34.52 C ATOM 272 CG ASN A 19 55.595 57.879 -40.586 1.00 65.20 C ATOM 273 OD1 ASN A 19 54.565 58.010 -41.250 1.00 30.24 O ATOM 274 ND2 ASN A 19 56.198 58.913 -40.013 1.00 44.43 N ATOM 0 H ASN A 19 58.515 55.166 -38.517 1.00 23.42 H new ATOM 0 HA ASN A 19 57.483 57.096 -38.770 1.00 64.52 H new ATOM 0 HB2 ASN A 19 57.084 56.439 -41.150 1.00 34.52 H new ATOM 0 HB3 ASN A 19 55.548 55.735 -40.684 1.00 34.52 H new ATOM 0 HD21 ASN A 19 55.810 59.851 -40.116 1.00 44.43 H new ATOM 0 HD22 ASN A 19 57.049 58.770 -39.470 1.00 44.43 H new ATOM 281 N ASN A 20 55.408 57.409 -37.397 1.00 0.34 N ATOM 282 CA ASN A 20 54.355 57.526 -36.405 1.00 2.02 C ATOM 283 C ASN A 20 53.293 58.509 -36.886 1.00 40.34 C ATOM 284 O ASN A 20 53.606 59.496 -37.558 1.00 74.24 O ATOM 285 CB ASN A 20 54.942 57.980 -35.062 1.00 1.51 C ATOM 286 CG ASN A 20 55.304 59.450 -35.040 1.00 51.11 C ATOM 287 OD1 ASN A 20 56.353 59.855 -35.543 1.00 52.43 O ATOM 288 ND2 ASN A 20 54.458 60.252 -34.418 1.00 2.01 N ATOM 0 H ASN A 20 55.929 58.270 -37.563 1.00 0.34 H new ATOM 0 HA ASN A 20 53.888 56.551 -36.265 1.00 2.02 H new ATOM 0 HB2 ASN A 20 54.221 57.777 -34.270 1.00 1.51 H new ATOM 0 HB3 ASN A 20 55.831 57.389 -34.842 1.00 1.51 H new ATOM 0 HD21 ASN A 20 54.663 61.248 -34.340 1.00 2.01 H new ATOM 0 HD22 ASN A 20 53.600 59.875 -34.015 1.00 2.01 H new ATOM 295 N GLY A 21 52.042 58.220 -36.575 1.00 62.44 N ATOM 296 CA GLY A 21 50.958 59.102 -36.950 1.00 13.55 C ATOM 297 C GLY A 21 50.340 59.773 -35.743 1.00 0.45 C ATOM 298 O GLY A 21 50.298 59.189 -34.657 1.00 25.41 O ATOM 0 H GLY A 21 51.755 57.384 -36.066 1.00 62.44 H new ATOM 0 HA2 GLY A 21 51.328 59.861 -37.639 1.00 13.55 H new ATOM 0 HA3 GLY A 21 50.194 58.534 -37.482 1.00 13.55 H new ATOM 302 N ALA A 22 49.872 60.997 -35.915 1.00 11.14 N ATOM 303 CA ALA A 22 49.259 61.734 -34.825 1.00 24.15 C ATOM 304 C ALA A 22 47.903 62.279 -35.246 1.00 21.32 C ATOM 305 O ALA A 22 47.767 62.847 -36.330 1.00 64.10 O ATOM 306 CB ALA A 22 50.170 62.863 -34.371 1.00 21.11 C ATOM 0 H ALA A 22 49.905 61.502 -36.801 1.00 11.14 H new ATOM 0 HA ALA A 22 49.110 61.052 -33.988 1.00 24.15 H new ATOM 0 HB1 ALA A 22 49.696 63.406 -33.553 1.00 21.11 H new ATOM 0 HB2 ALA A 22 51.119 62.450 -34.030 1.00 21.11 H new ATOM 0 HB3 ALA A 22 50.348 63.544 -35.203 1.00 21.11 H new ATOM 312 N PHE A 23 46.903 62.086 -34.400 1.00 32.04 N ATOM 313 CA PHE A 23 45.565 62.588 -34.678 1.00 53.22 C ATOM 314 C PHE A 23 45.002 63.318 -33.462 1.00 65.32 C ATOM 315 O PHE A 23 44.655 62.705 -32.453 1.00 62.34 O ATOM 316 CB PHE A 23 44.630 61.453 -35.134 1.00 65.22 C ATOM 317 CG PHE A 23 44.556 60.264 -34.202 1.00 71.25 C ATOM 318 CD1 PHE A 23 43.481 60.106 -33.336 1.00 53.43 C ATOM 319 CD2 PHE A 23 45.557 59.302 -34.200 1.00 21.43 C ATOM 320 CE1 PHE A 23 43.409 59.016 -32.490 1.00 0.12 C ATOM 321 CE2 PHE A 23 45.488 58.211 -33.353 1.00 3.24 C ATOM 322 CZ PHE A 23 44.414 58.068 -32.498 1.00 64.54 C ATOM 0 H PHE A 23 46.992 61.586 -33.516 1.00 32.04 H new ATOM 0 HA PHE A 23 45.633 63.303 -35.498 1.00 53.22 H new ATOM 0 HB2 PHE A 23 43.626 61.859 -35.259 1.00 65.22 H new ATOM 0 HB3 PHE A 23 44.958 61.106 -36.114 1.00 65.22 H new ATOM 0 HD1 PHE A 23 42.692 60.844 -33.324 1.00 53.43 H new ATOM 0 HD2 PHE A 23 46.399 59.407 -34.868 1.00 21.43 H new ATOM 0 HE1 PHE A 23 42.567 58.905 -31.823 1.00 0.12 H new ATOM 0 HE2 PHE A 23 46.274 57.471 -33.361 1.00 3.24 H new ATOM 0 HZ PHE A 23 44.359 57.216 -31.836 1.00 64.54 H new ATOM 332 N LEU A 24 44.963 64.640 -33.553 1.00 53.34 N ATOM 333 CA LEU A 24 44.440 65.474 -32.478 1.00 51.34 C ATOM 334 C LEU A 24 43.394 66.442 -33.017 1.00 45.44 C ATOM 335 O LEU A 24 43.728 67.508 -33.532 1.00 10.11 O ATOM 336 CB LEU A 24 45.558 66.271 -31.784 1.00 62.32 C ATOM 337 CG LEU A 24 46.584 65.456 -30.981 1.00 3.14 C ATOM 338 CD1 LEU A 24 47.595 64.781 -31.897 1.00 23.03 C ATOM 339 CD2 LEU A 24 47.292 66.349 -29.980 1.00 11.23 C ATOM 0 H LEU A 24 45.290 65.162 -34.366 1.00 53.34 H new ATOM 0 HA LEU A 24 43.983 64.809 -31.745 1.00 51.34 H new ATOM 0 HB2 LEU A 24 46.094 66.840 -32.544 1.00 62.32 H new ATOM 0 HB3 LEU A 24 45.095 66.994 -31.112 1.00 62.32 H new ATOM 0 HG LEU A 24 46.048 64.674 -30.443 1.00 3.14 H new ATOM 0 HD11 LEU A 24 48.306 64.213 -31.298 1.00 23.03 H new ATOM 0 HD12 LEU A 24 47.075 64.108 -32.579 1.00 23.03 H new ATOM 0 HD13 LEU A 24 48.128 65.539 -32.471 1.00 23.03 H new ATOM 0 HD21 LEU A 24 48.017 65.761 -29.417 1.00 11.23 H new ATOM 0 HD22 LEU A 24 47.808 67.151 -30.509 1.00 11.23 H new ATOM 0 HD23 LEU A 24 46.561 66.778 -29.294 1.00 11.23 H new ATOM 351 N LEU A 25 42.132 66.058 -32.922 1.00 14.23 N ATOM 352 CA LEU A 25 41.046 66.918 -33.366 1.00 22.42 C ATOM 353 C LEU A 25 40.063 67.151 -32.229 1.00 42.44 C ATOM 354 O LEU A 25 39.738 68.295 -31.907 1.00 41.32 O ATOM 355 CB LEU A 25 40.310 66.321 -34.576 1.00 52.44 C ATOM 356 CG LEU A 25 41.127 66.196 -35.871 1.00 3.52 C ATOM 357 CD1 LEU A 25 42.032 64.972 -35.831 1.00 35.34 C ATOM 358 CD2 LEU A 25 40.204 66.133 -37.076 1.00 34.05 C ATOM 0 H LEU A 25 41.834 65.159 -32.543 1.00 14.23 H new ATOM 0 HA LEU A 25 41.482 67.869 -33.672 1.00 22.42 H new ATOM 0 HB2 LEU A 25 39.948 65.330 -34.302 1.00 52.44 H new ATOM 0 HB3 LEU A 25 39.433 66.935 -34.782 1.00 52.44 H new ATOM 0 HG LEU A 25 41.758 67.080 -35.959 1.00 3.52 H new ATOM 0 HD11 LEU A 25 42.599 64.908 -36.760 1.00 35.34 H new ATOM 0 HD12 LEU A 25 42.721 65.056 -34.991 1.00 35.34 H new ATOM 0 HD13 LEU A 25 41.425 64.074 -35.714 1.00 35.34 H new ATOM 0 HD21 LEU A 25 40.798 66.045 -37.985 1.00 34.05 H new ATOM 0 HD22 LEU A 25 39.547 65.268 -36.986 1.00 34.05 H new ATOM 0 HD23 LEU A 25 39.603 67.041 -37.122 1.00 34.05 H new ATOM 370 N ASN A 26 39.615 66.050 -31.620 1.00 73.20 N ATOM 371 CA ASN A 26 38.652 66.079 -30.516 1.00 60.40 C ATOM 372 C ASN A 26 37.299 66.603 -30.991 1.00 55.24 C ATOM 373 O ASN A 26 36.424 65.822 -31.368 1.00 70.31 O ATOM 374 CB ASN A 26 39.174 66.924 -29.343 1.00 52.12 C ATOM 375 CG ASN A 26 38.242 66.900 -28.147 1.00 31.52 C ATOM 376 OD1 ASN A 26 37.591 65.892 -27.868 1.00 61.41 O ATOM 377 ND2 ASN A 26 38.174 68.009 -27.429 1.00 0.40 N ATOM 0 H ASN A 26 39.911 65.109 -31.880 1.00 73.20 H new ATOM 0 HA ASN A 26 38.522 65.056 -30.163 1.00 60.40 H new ATOM 0 HB2 ASN A 26 40.155 66.555 -29.042 1.00 52.12 H new ATOM 0 HB3 ASN A 26 39.309 67.954 -29.674 1.00 52.12 H new ATOM 0 HD21 ASN A 26 37.566 68.050 -26.611 1.00 0.40 H new ATOM 0 HD22 ASN A 26 38.729 68.823 -27.693 1.00 0.40 H new ATOM 384 N SER A 27 37.148 67.919 -31.000 1.00 41.42 N ATOM 385 CA SER A 27 35.922 68.561 -31.444 1.00 71.35 C ATOM 386 C SER A 27 36.112 70.071 -31.483 1.00 32.44 C ATOM 387 O SER A 27 36.609 70.671 -30.529 1.00 10.41 O ATOM 388 CB SER A 27 34.749 68.193 -30.528 1.00 30.22 C ATOM 389 OG SER A 27 35.136 68.214 -29.163 1.00 62.34 O ATOM 0 H SER A 27 37.873 68.571 -30.700 1.00 41.42 H new ATOM 0 HA SER A 27 35.689 68.206 -32.448 1.00 71.35 H new ATOM 0 HB2 SER A 27 33.928 68.892 -30.686 1.00 30.22 H new ATOM 0 HB3 SER A 27 34.378 67.201 -30.788 1.00 30.22 H new ATOM 0 HG SER A 27 34.368 67.977 -28.602 1.00 62.34 H new ATOM 395 N ALA A 28 35.737 70.675 -32.597 1.00 11.40 N ATOM 396 CA ALA A 28 35.832 72.113 -32.753 1.00 74.12 C ATOM 397 C ALA A 28 34.439 72.716 -32.801 1.00 32.20 C ATOM 398 O ALA A 28 33.850 72.858 -33.873 1.00 40.33 O ATOM 399 CB ALA A 28 36.621 72.469 -34.004 1.00 11.11 C ATOM 0 H ALA A 28 35.362 70.187 -33.410 1.00 11.40 H new ATOM 0 HA ALA A 28 36.364 72.527 -31.897 1.00 74.12 H new ATOM 0 HB1 ALA A 28 36.680 73.553 -34.101 1.00 11.11 H new ATOM 0 HB2 ALA A 28 37.627 72.056 -33.929 1.00 11.11 H new ATOM 0 HB3 ALA A 28 36.122 72.053 -34.879 1.00 11.11 H new ATOM 405 N GLN A 29 33.893 73.018 -31.633 1.00 51.32 N ATOM 406 CA GLN A 29 32.549 73.568 -31.543 1.00 50.44 C ATOM 407 C GLN A 29 32.568 74.928 -30.862 1.00 51.32 C ATOM 408 O GLN A 29 33.056 75.068 -29.739 1.00 65.31 O ATOM 409 CB GLN A 29 31.625 72.617 -30.781 1.00 25.01 C ATOM 410 CG GLN A 29 31.550 71.220 -31.375 1.00 22.41 C ATOM 411 CD GLN A 29 30.480 70.364 -30.725 1.00 13.34 C ATOM 412 OE1 GLN A 29 30.142 70.550 -29.555 1.00 43.24 O ATOM 413 NE2 GLN A 29 29.945 69.416 -31.479 1.00 45.43 N ATOM 0 H GLN A 29 34.359 72.892 -30.735 1.00 51.32 H new ATOM 0 HA GLN A 29 32.168 73.689 -32.557 1.00 50.44 H new ATOM 0 HB2 GLN A 29 31.967 72.544 -29.749 1.00 25.01 H new ATOM 0 HB3 GLN A 29 30.622 73.044 -30.755 1.00 25.01 H new ATOM 0 HG2 GLN A 29 31.350 71.294 -32.444 1.00 22.41 H new ATOM 0 HG3 GLN A 29 32.518 70.730 -31.265 1.00 22.41 H new ATOM 0 HE21 GLN A 29 30.254 69.296 -32.444 1.00 45.43 H new ATOM 0 HE22 GLN A 29 29.224 68.805 -31.095 1.00 45.43 H new ATOM 422 N ALA A 30 32.046 75.927 -31.552 1.00 32.35 N ATOM 423 CA ALA A 30 31.957 77.269 -31.010 1.00 75.25 C ATOM 424 C ALA A 30 30.565 77.840 -31.246 1.00 2.24 C ATOM 425 O ALA A 30 30.320 78.522 -32.243 1.00 44.53 O ATOM 426 CB ALA A 30 33.021 78.167 -31.626 1.00 53.52 C ATOM 0 H ALA A 30 31.675 75.831 -32.497 1.00 32.35 H new ATOM 0 HA ALA A 30 32.134 77.224 -29.935 1.00 75.25 H new ATOM 0 HB1 ALA A 30 32.938 79.170 -31.207 1.00 53.52 H new ATOM 0 HB2 ALA A 30 34.009 77.763 -31.407 1.00 53.52 H new ATOM 0 HB3 ALA A 30 32.878 78.212 -32.706 1.00 53.52 H new ATOM 432 N GLN A 31 29.644 77.522 -30.350 1.00 62.43 N ATOM 433 CA GLN A 31 28.283 78.015 -30.461 1.00 45.15 C ATOM 434 C GLN A 31 28.032 79.102 -29.427 1.00 11.34 C ATOM 435 O GLN A 31 28.518 79.027 -28.296 1.00 33.30 O ATOM 436 CB GLN A 31 27.265 76.879 -30.306 1.00 15.14 C ATOM 437 CG GLN A 31 27.494 75.993 -29.093 1.00 52.33 C ATOM 438 CD GLN A 31 26.328 75.062 -28.839 1.00 4.22 C ATOM 439 OE1 GLN A 31 25.181 75.401 -29.121 1.00 75.53 O ATOM 440 NE2 GLN A 31 26.606 73.876 -28.324 1.00 5.45 N ATOM 0 H GLN A 31 29.815 76.926 -29.540 1.00 62.43 H new ATOM 0 HA GLN A 31 28.157 78.440 -31.457 1.00 45.15 H new ATOM 0 HB2 GLN A 31 26.265 77.309 -30.243 1.00 15.14 H new ATOM 0 HB3 GLN A 31 27.290 76.260 -31.203 1.00 15.14 H new ATOM 0 HG2 GLN A 31 28.401 75.406 -29.240 1.00 52.33 H new ATOM 0 HG3 GLN A 31 27.657 76.617 -28.214 1.00 52.33 H new ATOM 0 HE21 GLN A 31 27.571 73.630 -28.103 1.00 5.45 H new ATOM 0 HE22 GLN A 31 25.856 73.208 -28.148 1.00 5.45 H new ATOM 449 N ASN A 32 27.291 80.120 -29.824 1.00 32.35 N ATOM 450 CA ASN A 32 26.997 81.232 -28.937 1.00 60.00 C ATOM 451 C ASN A 32 25.532 81.226 -28.528 1.00 24.31 C ATOM 452 O ASN A 32 24.662 81.681 -29.272 1.00 12.35 O ATOM 453 CB ASN A 32 27.359 82.569 -29.597 1.00 55.23 C ATOM 454 CG ASN A 32 26.974 83.770 -28.747 1.00 52.21 C ATOM 455 OD1 ASN A 32 25.882 84.324 -28.890 1.00 64.01 O ATOM 456 ND2 ASN A 32 27.864 84.179 -27.857 1.00 12.22 N ATOM 0 H ASN A 32 26.881 80.201 -30.755 1.00 32.35 H new ATOM 0 HA ASN A 32 27.606 81.114 -28.041 1.00 60.00 H new ATOM 0 HB2 ASN A 32 28.432 82.595 -29.790 1.00 55.23 H new ATOM 0 HB3 ASN A 32 26.860 82.639 -30.563 1.00 55.23 H new ATOM 0 HD21 ASN A 32 27.657 84.979 -27.259 1.00 12.22 H new ATOM 0 HD22 ASN A 32 28.757 83.694 -27.769 1.00 12.22 H new ATOM 463 N SER A 33 25.264 80.664 -27.364 1.00 43.41 N ATOM 464 CA SER A 33 23.944 80.722 -26.771 1.00 24.32 C ATOM 465 C SER A 33 23.863 81.944 -25.859 1.00 0.13 C ATOM 466 O SER A 33 24.471 81.976 -24.790 1.00 23.01 O ATOM 467 CB SER A 33 23.675 79.427 -26.008 1.00 74.21 C ATOM 468 OG SER A 33 24.854 78.971 -25.361 1.00 5.52 O ATOM 0 H SER A 33 25.952 80.157 -26.807 1.00 43.41 H new ATOM 0 HA SER A 33 23.179 80.820 -27.542 1.00 24.32 H new ATOM 0 HB2 SER A 33 22.889 79.590 -25.270 1.00 74.21 H new ATOM 0 HB3 SER A 33 23.313 78.663 -26.695 1.00 74.21 H new ATOM 0 HG SER A 33 24.630 78.236 -24.753 1.00 5.52 H new ATOM 474 N TYR A 34 23.129 82.957 -26.299 1.00 44.31 N ATOM 475 CA TYR A 34 23.183 84.268 -25.661 1.00 61.24 C ATOM 476 C TYR A 34 22.317 84.338 -24.404 1.00 73.24 C ATOM 477 O TYR A 34 22.479 85.243 -23.587 1.00 62.43 O ATOM 478 CB TYR A 34 22.761 85.354 -26.658 1.00 13.13 C ATOM 479 CG TYR A 34 23.051 86.760 -26.182 1.00 74.24 C ATOM 480 CD1 TYR A 34 24.350 87.250 -26.171 1.00 25.42 C ATOM 481 CD2 TYR A 34 22.031 87.593 -25.740 1.00 64.13 C ATOM 482 CE1 TYR A 34 24.625 88.531 -25.733 1.00 53.30 C ATOM 483 CE2 TYR A 34 22.297 88.876 -25.302 1.00 70.13 C ATOM 484 CZ TYR A 34 23.597 89.340 -25.300 1.00 21.34 C ATOM 485 OH TYR A 34 23.870 90.618 -24.862 1.00 74.43 O ATOM 0 H TYR A 34 22.491 82.898 -27.092 1.00 44.31 H new ATOM 0 HA TYR A 34 24.214 84.438 -25.350 1.00 61.24 H new ATOM 0 HB2 TYR A 34 23.276 85.186 -27.604 1.00 13.13 H new ATOM 0 HB3 TYR A 34 21.693 85.259 -26.855 1.00 13.13 H new ATOM 0 HD1 TYR A 34 25.159 86.620 -26.510 1.00 25.42 H new ATOM 0 HD2 TYR A 34 21.013 87.232 -25.739 1.00 64.13 H new ATOM 0 HE1 TYR A 34 25.641 88.897 -25.730 1.00 53.30 H new ATOM 0 HE2 TYR A 34 21.493 89.512 -24.963 1.00 70.13 H new ATOM 0 HH TYR A 34 23.036 91.057 -24.593 1.00 74.43 H new ATOM 495 N LYS A 35 21.409 83.389 -24.231 1.00 52.32 N ATOM 496 CA LYS A 35 20.508 83.435 -23.088 1.00 32.34 C ATOM 497 C LYS A 35 21.140 82.739 -21.887 1.00 3.52 C ATOM 498 O LYS A 35 20.843 81.580 -21.585 1.00 34.43 O ATOM 499 CB LYS A 35 19.159 82.808 -23.428 1.00 4.45 C ATOM 500 CG LYS A 35 18.025 83.324 -22.555 1.00 64.01 C ATOM 501 CD LYS A 35 16.683 82.756 -22.986 1.00 53.33 C ATOM 502 CE LYS A 35 15.531 83.581 -22.439 1.00 71.43 C ATOM 503 NZ LYS A 35 14.212 83.033 -22.854 1.00 25.44 N1+ ATOM 0 H LYS A 35 21.277 82.592 -24.854 1.00 52.32 H new ATOM 0 HA LYS A 35 20.335 84.480 -22.832 1.00 32.34 H new ATOM 0 HB2 LYS A 35 18.925 83.008 -24.474 1.00 4.45 H new ATOM 0 HB3 LYS A 35 19.230 81.726 -23.319 1.00 4.45 H new ATOM 0 HG2 LYS A 35 18.216 83.058 -21.515 1.00 64.01 H new ATOM 0 HG3 LYS A 35 17.993 84.412 -22.605 1.00 64.01 H new ATOM 0 HD2 LYS A 35 16.630 82.730 -24.074 1.00 53.33 H new ATOM 0 HD3 LYS A 35 16.593 81.727 -22.638 1.00 53.33 H new ATOM 0 HE2 LYS A 35 15.587 83.607 -21.351 1.00 71.43 H new ATOM 0 HE3 LYS A 35 15.623 84.610 -22.788 1.00 71.43 H new ATOM 0 HZ1 LYS A 35 13.452 83.624 -22.461 1.00 25.44 H new ATOM 0 HZ2 LYS A 35 14.148 83.031 -23.892 1.00 25.44 H new ATOM 0 HZ3 LYS A 35 14.113 82.060 -22.500 1.00 25.44 H new ATOM 517 N ASP A 36 22.035 83.456 -21.225 1.00 74.53 N ATOM 518 CA ASP A 36 22.787 82.920 -20.097 1.00 12.22 C ATOM 519 C ASP A 36 22.230 83.442 -18.773 1.00 2.12 C ATOM 520 O ASP A 36 21.447 84.391 -18.758 1.00 1.02 O ATOM 521 CB ASP A 36 24.272 83.289 -20.229 1.00 13.10 C ATOM 522 CG ASP A 36 24.503 84.779 -20.398 1.00 53.20 C ATOM 523 OD1 ASP A 36 24.944 85.194 -21.493 1.00 0.23 O ATOM 524 OD2 ASP A 36 24.242 85.539 -19.450 1.00 61.43 O1- ATOM 0 H ASP A 36 22.261 84.424 -21.453 1.00 74.53 H new ATOM 0 HA ASP A 36 22.688 81.835 -20.105 1.00 12.22 H new ATOM 0 HB2 ASP A 36 24.806 82.943 -19.344 1.00 13.10 H new ATOM 0 HB3 ASP A 36 24.696 82.762 -21.084 1.00 13.10 H new ATOM 529 N PRO A 37 22.604 82.815 -17.641 1.00 13.20 N ATOM 530 CA PRO A 37 22.176 83.268 -16.312 1.00 63.51 C ATOM 531 C PRO A 37 22.825 84.594 -15.911 1.00 54.33 C ATOM 532 O PRO A 37 22.212 85.416 -15.229 1.00 45.11 O ATOM 533 CB PRO A 37 22.644 82.145 -15.384 1.00 21.24 C ATOM 534 CG PRO A 37 23.775 81.499 -16.106 1.00 41.34 C ATOM 535 CD PRO A 37 23.441 81.603 -17.568 1.00 70.22 C ATOM 0 HA PRO A 37 21.102 83.453 -16.273 1.00 63.51 H new ATOM 0 HB2 PRO A 37 22.964 82.537 -14.419 1.00 21.24 H new ATOM 0 HB3 PRO A 37 21.842 81.433 -15.189 1.00 21.24 H new ATOM 0 HG2 PRO A 37 24.717 81.999 -15.884 1.00 41.34 H new ATOM 0 HG3 PRO A 37 23.888 80.458 -15.804 1.00 41.34 H new ATOM 0 HD2 PRO A 37 24.338 81.697 -18.180 1.00 70.22 H new ATOM 0 HD3 PRO A 37 22.905 80.722 -17.922 1.00 70.22 H new ATOM 543 N SER A 38 24.069 84.787 -16.332 1.00 14.04 N ATOM 544 CA SER A 38 24.818 86.003 -16.035 1.00 55.00 C ATOM 545 C SER A 38 25.959 86.166 -17.036 1.00 15.51 C ATOM 546 O SER A 38 26.080 87.208 -17.686 1.00 61.15 O ATOM 547 CB SER A 38 25.366 85.970 -14.601 1.00 62.11 C ATOM 548 OG SER A 38 24.310 85.922 -13.652 1.00 2.22 O ATOM 0 H SER A 38 24.587 84.107 -16.888 1.00 14.04 H new ATOM 0 HA SER A 38 24.145 86.856 -16.120 1.00 55.00 H new ATOM 0 HB2 SER A 38 26.012 85.101 -14.475 1.00 62.11 H new ATOM 0 HB3 SER A 38 25.980 86.853 -14.422 1.00 62.11 H new ATOM 0 HG SER A 38 23.461 86.124 -14.097 1.00 2.22 H new ATOM 554 N TYR A 39 26.792 85.133 -17.142 1.00 43.44 N ATOM 555 CA TYR A 39 27.842 85.069 -18.152 1.00 20.45 C ATOM 556 C TYR A 39 28.549 83.722 -18.075 1.00 62.10 C ATOM 557 O TYR A 39 28.676 83.156 -16.991 1.00 24.30 O ATOM 558 CB TYR A 39 28.865 86.203 -17.985 1.00 32.34 C ATOM 559 CG TYR A 39 29.888 86.239 -19.101 1.00 55.01 C ATOM 560 CD1 TYR A 39 29.570 86.788 -20.334 1.00 1.41 C ATOM 561 CD2 TYR A 39 31.159 85.708 -18.928 1.00 62.40 C ATOM 562 CE1 TYR A 39 30.486 86.800 -21.367 1.00 74.42 C ATOM 563 CE2 TYR A 39 32.083 85.721 -19.954 1.00 23.44 C ATOM 564 CZ TYR A 39 31.740 86.269 -21.172 1.00 40.22 C ATOM 565 OH TYR A 39 32.652 86.275 -22.203 1.00 3.35 O ATOM 0 H TYR A 39 26.757 84.318 -16.530 1.00 43.44 H new ATOM 0 HA TYR A 39 27.372 85.186 -19.128 1.00 20.45 H new ATOM 0 HB2 TYR A 39 28.340 87.157 -17.949 1.00 32.34 H new ATOM 0 HB3 TYR A 39 29.379 86.085 -17.031 1.00 32.34 H new ATOM 0 HD1 TYR A 39 28.589 87.213 -20.489 1.00 1.41 H new ATOM 0 HD2 TYR A 39 31.430 85.278 -17.975 1.00 62.40 H new ATOM 0 HE1 TYR A 39 30.219 87.224 -22.324 1.00 74.42 H new ATOM 0 HE2 TYR A 39 33.068 85.305 -19.803 1.00 23.44 H new ATOM 0 HH TYR A 39 33.489 85.864 -21.902 1.00 3.35 H new ATOM 575 N ASN A 40 28.990 83.221 -19.228 1.00 65.22 N ATOM 576 CA ASN A 40 29.739 81.961 -19.319 1.00 3.22 C ATOM 577 C ASN A 40 28.831 80.768 -19.050 1.00 70.45 C ATOM 578 O ASN A 40 28.466 80.495 -17.905 1.00 15.21 O ATOM 579 CB ASN A 40 30.939 81.949 -18.360 1.00 75.20 C ATOM 580 CG ASN A 40 31.829 80.731 -18.539 1.00 64.02 C ATOM 581 OD1 ASN A 40 32.758 80.742 -19.348 1.00 40.50 O ATOM 582 ND2 ASN A 40 31.563 79.678 -17.782 1.00 70.04 N ATOM 0 H ASN A 40 28.840 83.675 -20.129 1.00 65.22 H new ATOM 0 HA ASN A 40 30.122 81.882 -20.336 1.00 3.22 H new ATOM 0 HB2 ASN A 40 31.531 82.851 -18.516 1.00 75.20 H new ATOM 0 HB3 ASN A 40 30.576 81.980 -17.333 1.00 75.20 H new ATOM 0 HD21 ASN A 40 32.136 78.838 -17.857 1.00 70.04 H new ATOM 0 HD22 ASN A 40 30.785 79.707 -17.123 1.00 70.04 H new ATOM 589 N ASP A 41 28.470 80.080 -20.131 1.00 1.43 N ATOM 590 CA ASP A 41 27.589 78.911 -20.084 1.00 42.41 C ATOM 591 C ASP A 41 26.154 79.317 -19.771 1.00 73.04 C ATOM 592 O ASP A 41 25.839 79.786 -18.677 1.00 20.40 O ATOM 593 CB ASP A 41 28.072 77.858 -19.081 1.00 75.34 C ATOM 594 CG ASP A 41 27.147 76.658 -19.019 1.00 44.10 C ATOM 595 OD1 ASP A 41 26.523 76.435 -17.960 1.00 61.14 O ATOM 596 OD2 ASP A 41 27.044 75.928 -20.029 1.00 31.02 O1- ATOM 0 H ASP A 41 28.782 80.318 -21.072 1.00 1.43 H new ATOM 0 HA ASP A 41 27.619 78.459 -21.075 1.00 42.41 H new ATOM 0 HB2 ASP A 41 29.074 77.528 -19.357 1.00 75.34 H new ATOM 0 HB3 ASP A 41 28.146 78.309 -18.091 1.00 75.34 H new ATOM 601 N ASP A 42 25.284 79.115 -20.739 1.00 64.11 N ATOM 602 CA ASP A 42 23.893 79.520 -20.620 1.00 22.32 C ATOM 603 C ASP A 42 23.086 78.478 -19.860 1.00 12.21 C ATOM 604 O ASP A 42 21.951 78.728 -19.458 1.00 2.23 O ATOM 605 CB ASP A 42 23.293 79.734 -22.005 1.00 70.12 C ATOM 606 CG ASP A 42 23.141 78.443 -22.782 1.00 70.01 C ATOM 607 OD1 ASP A 42 21.988 78.048 -23.056 1.00 24.15 O ATOM 608 OD2 ASP A 42 24.171 77.826 -23.130 1.00 23.10 O1- ATOM 0 H ASP A 42 25.516 78.669 -21.626 1.00 64.11 H new ATOM 0 HA ASP A 42 23.856 80.456 -20.062 1.00 22.32 H new ATOM 0 HB2 ASP A 42 22.317 80.210 -21.904 1.00 70.12 H new ATOM 0 HB3 ASP A 42 23.925 80.420 -22.568 1.00 70.12 H new ATOM 613 N PHE A 43 23.689 77.319 -19.645 1.00 34.33 N ATOM 614 CA PHE A 43 23.020 76.226 -18.951 1.00 42.52 C ATOM 615 C PHE A 43 23.136 76.392 -17.440 1.00 55.15 C ATOM 616 O PHE A 43 22.773 75.500 -16.674 1.00 42.21 O ATOM 617 CB PHE A 43 23.607 74.877 -19.378 1.00 45.40 C ATOM 618 CG PHE A 43 23.391 74.551 -20.827 1.00 60.21 C ATOM 619 CD1 PHE A 43 24.415 74.713 -21.748 1.00 61.42 C ATOM 620 CD2 PHE A 43 22.164 74.085 -21.269 1.00 74.23 C ATOM 621 CE1 PHE A 43 24.217 74.416 -23.083 1.00 3.13 C ATOM 622 CE2 PHE A 43 21.961 73.786 -22.602 1.00 34.35 C ATOM 623 CZ PHE A 43 22.988 73.953 -23.510 1.00 75.22 C ATOM 0 H PHE A 43 24.642 77.109 -19.941 1.00 34.33 H new ATOM 0 HA PHE A 43 21.965 76.251 -19.222 1.00 42.52 H new ATOM 0 HB2 PHE A 43 24.677 74.876 -19.171 1.00 45.40 H new ATOM 0 HB3 PHE A 43 23.164 74.090 -18.769 1.00 45.40 H new ATOM 0 HD1 PHE A 43 25.378 75.075 -21.418 1.00 61.42 H new ATOM 0 HD2 PHE A 43 21.357 73.954 -20.563 1.00 74.23 H new ATOM 0 HE1 PHE A 43 25.022 74.546 -23.791 1.00 3.13 H new ATOM 0 HE2 PHE A 43 21.000 73.422 -22.934 1.00 34.35 H new ATOM 0 HZ PHE A 43 22.830 73.722 -24.553 1.00 75.22 H new ATOM 633 N GLY A 44 23.627 77.549 -17.014 1.00 3.11 N ATOM 634 CA GLY A 44 23.768 77.826 -15.598 1.00 42.15 C ATOM 635 C GLY A 44 22.458 78.251 -14.960 1.00 3.45 C ATOM 636 O GLY A 44 22.438 78.729 -13.826 1.00 74.52 O ATOM 0 H GLY A 44 23.932 78.304 -17.628 1.00 3.11 H new ATOM 0 HA2 GLY A 44 24.144 76.937 -15.092 1.00 42.15 H new ATOM 0 HA3 GLY A 44 24.510 78.612 -15.456 1.00 42.15 H new ATOM 640 N ILE A 45 21.364 78.094 -15.697 1.00 51.24 N ATOM 641 CA ILE A 45 20.044 78.438 -15.187 1.00 71.42 C ATOM 642 C ILE A 45 19.465 77.270 -14.396 1.00 20.41 C ATOM 643 O ILE A 45 19.053 77.427 -13.246 1.00 25.51 O ATOM 644 CB ILE A 45 19.076 78.826 -16.328 1.00 34.42 C ATOM 645 CG1 ILE A 45 19.668 79.970 -17.159 1.00 11.31 C ATOM 646 CG2 ILE A 45 17.716 79.220 -15.760 1.00 54.24 C ATOM 647 CD1 ILE A 45 18.825 80.355 -18.357 1.00 75.24 C ATOM 0 H ILE A 45 21.366 77.730 -16.650 1.00 51.24 H new ATOM 0 HA ILE A 45 20.158 79.302 -14.532 1.00 71.42 H new ATOM 0 HB ILE A 45 18.937 77.963 -16.979 1.00 34.42 H new ATOM 0 HG12 ILE A 45 19.794 80.844 -16.519 1.00 11.31 H new ATOM 0 HG13 ILE A 45 20.661 79.681 -17.503 1.00 11.31 H new ATOM 0 HG21 ILE A 45 17.046 79.491 -16.576 1.00 54.24 H new ATOM 0 HG22 ILE A 45 17.295 78.380 -15.208 1.00 54.24 H new ATOM 0 HG23 ILE A 45 17.834 80.072 -15.090 1.00 54.24 H new ATOM 0 HD11 ILE A 45 19.308 81.170 -18.895 1.00 75.24 H new ATOM 0 HD12 ILE A 45 18.720 79.496 -19.019 1.00 75.24 H new ATOM 0 HD13 ILE A 45 17.839 80.677 -18.020 1.00 75.24 H new ATOM 659 N GLU A 46 19.447 76.097 -15.010 1.00 65.21 N ATOM 660 CA GLU A 46 18.981 74.896 -14.337 1.00 41.54 C ATOM 661 C GLU A 46 20.123 73.901 -14.193 1.00 5.12 C ATOM 662 O GLU A 46 20.924 73.719 -15.111 1.00 43.23 O ATOM 663 CB GLU A 46 17.811 74.264 -15.096 1.00 55.55 C ATOM 664 CG GLU A 46 16.532 75.088 -15.030 1.00 14.53 C ATOM 665 CD GLU A 46 15.362 74.415 -15.723 1.00 0.14 C ATOM 666 OE1 GLU A 46 14.888 73.369 -15.226 1.00 65.32 O ATOM 667 OE2 GLU A 46 14.899 74.939 -16.754 1.00 5.55 O1- ATOM 0 H GLU A 46 19.750 75.952 -15.973 1.00 65.21 H new ATOM 0 HA GLU A 46 18.628 75.172 -13.343 1.00 41.54 H new ATOM 0 HB2 GLU A 46 18.095 74.130 -16.140 1.00 55.55 H new ATOM 0 HB3 GLU A 46 17.617 73.272 -14.689 1.00 55.55 H new ATOM 0 HG2 GLU A 46 16.275 75.268 -13.986 1.00 14.53 H new ATOM 0 HG3 GLU A 46 16.708 76.061 -15.488 1.00 14.53 H new ATOM 674 N THR A 47 20.195 73.267 -13.038 1.00 53.34 N ATOM 675 CA THR A 47 21.267 72.334 -12.738 1.00 11.21 C ATOM 676 C THR A 47 20.714 70.937 -12.453 1.00 2.33 C ATOM 677 O THR A 47 20.398 70.603 -11.306 1.00 31.14 O ATOM 678 CB THR A 47 22.106 72.814 -11.537 1.00 14.13 C ATOM 679 OG1 THR A 47 22.516 74.174 -11.748 1.00 60.32 O ATOM 680 CG2 THR A 47 23.338 71.939 -11.338 1.00 31.14 C ATOM 0 H THR A 47 19.517 73.382 -12.285 1.00 53.34 H new ATOM 0 HA THR A 47 21.910 72.287 -13.617 1.00 11.21 H new ATOM 0 HB THR A 47 21.488 72.745 -10.642 1.00 14.13 H new ATOM 0 HG1 THR A 47 23.048 74.478 -10.983 1.00 60.32 H new ATOM 0 HG21 THR A 47 23.909 72.303 -10.484 1.00 31.14 H new ATOM 0 HG22 THR A 47 23.028 70.910 -11.155 1.00 31.14 H new ATOM 0 HG23 THR A 47 23.960 71.977 -12.233 1.00 31.14 H new ATOM 688 N PRO A 48 20.535 70.119 -13.501 1.00 63.35 N ATOM 689 CA PRO A 48 20.044 68.749 -13.353 1.00 21.13 C ATOM 690 C PRO A 48 20.990 67.903 -12.507 1.00 23.22 C ATOM 691 O PRO A 48 22.194 67.856 -12.758 1.00 30.10 O ATOM 692 CB PRO A 48 19.985 68.219 -14.791 1.00 72.10 C ATOM 693 CG PRO A 48 20.877 69.118 -15.578 1.00 2.42 C ATOM 694 CD PRO A 48 20.817 70.458 -14.905 1.00 3.12 C ATOM 0 HA PRO A 48 19.081 68.711 -12.845 1.00 21.13 H new ATOM 0 HB2 PRO A 48 20.324 67.184 -14.843 1.00 72.10 H new ATOM 0 HB3 PRO A 48 18.966 68.240 -15.177 1.00 72.10 H new ATOM 0 HG2 PRO A 48 21.898 68.736 -15.595 1.00 2.42 H new ATOM 0 HG3 PRO A 48 20.545 69.187 -16.614 1.00 2.42 H new ATOM 0 HD2 PRO A 48 21.756 71.002 -15.007 1.00 3.12 H new ATOM 0 HD3 PRO A 48 20.036 71.088 -15.331 1.00 3.12 H new ATOM 702 N SER A 49 20.445 67.257 -11.494 1.00 1.52 N ATOM 703 CA SER A 49 21.238 66.412 -10.618 1.00 71.45 C ATOM 704 C SER A 49 20.695 64.983 -10.616 1.00 5.40 C ATOM 705 O SER A 49 21.453 64.014 -10.680 1.00 55.33 O ATOM 706 CB SER A 49 21.240 66.997 -9.203 1.00 4.01 C ATOM 707 OG SER A 49 21.677 68.349 -9.215 1.00 52.25 O ATOM 0 H SER A 49 19.454 67.301 -11.256 1.00 1.52 H new ATOM 0 HA SER A 49 22.264 66.379 -10.986 1.00 71.45 H new ATOM 0 HB2 SER A 49 20.237 66.938 -8.779 1.00 4.01 H new ATOM 0 HB3 SER A 49 21.893 66.405 -8.561 1.00 4.01 H new ATOM 0 HG SER A 49 21.669 68.704 -8.301 1.00 52.25 H new ATOM 713 N ALA A 50 19.376 64.862 -10.568 1.00 4.34 N ATOM 714 CA ALA A 50 18.730 63.558 -10.571 1.00 71.23 C ATOM 715 C ALA A 50 18.491 63.079 -11.996 1.00 52.43 C ATOM 716 O ALA A 50 18.600 61.893 -12.286 1.00 63.35 O ATOM 717 CB ALA A 50 17.418 63.615 -9.805 1.00 52.42 C ATOM 0 H ALA A 50 18.732 65.652 -10.526 1.00 4.34 H new ATOM 0 HA ALA A 50 19.392 62.847 -10.077 1.00 71.23 H new ATOM 0 HB1 ALA A 50 16.947 62.632 -9.816 1.00 52.42 H new ATOM 0 HB2 ALA A 50 17.611 63.913 -8.774 1.00 52.42 H new ATOM 0 HB3 ALA A 50 16.754 64.341 -10.274 1.00 52.42 H new ATOM 723 N LEU A 51 18.170 64.007 -12.886 1.00 14.24 N ATOM 724 CA LEU A 51 17.918 63.667 -14.281 1.00 65.24 C ATOM 725 C LEU A 51 19.156 63.925 -15.131 1.00 54.11 C ATOM 726 O LEU A 51 19.119 63.779 -16.350 1.00 73.42 O ATOM 727 CB LEU A 51 16.745 64.482 -14.829 1.00 34.13 C ATOM 728 CG LEU A 51 16.958 65.998 -14.832 1.00 14.14 C ATOM 729 CD1 LEU A 51 16.610 66.582 -16.189 1.00 42.24 C ATOM 730 CD2 LEU A 51 16.124 66.653 -13.747 1.00 32.32 C ATOM 0 H LEU A 51 18.078 64.999 -12.669 1.00 14.24 H new ATOM 0 HA LEU A 51 17.670 62.607 -14.327 1.00 65.24 H new ATOM 0 HB2 LEU A 51 16.541 64.157 -15.849 1.00 34.13 H new ATOM 0 HB3 LEU A 51 15.857 64.256 -14.238 1.00 34.13 H new ATOM 0 HG LEU A 51 18.010 66.197 -14.629 1.00 14.14 H new ATOM 0 HD11 LEU A 51 16.767 67.660 -16.172 1.00 42.24 H new ATOM 0 HD12 LEU A 51 17.247 66.134 -16.952 1.00 42.24 H new ATOM 0 HD13 LEU A 51 15.565 66.371 -16.419 1.00 42.24 H new ATOM 0 HD21 LEU A 51 16.287 67.731 -13.763 1.00 32.32 H new ATOM 0 HD22 LEU A 51 15.069 66.443 -13.923 1.00 32.32 H new ATOM 0 HD23 LEU A 51 16.416 66.256 -12.775 1.00 32.32 H new ATOM 742 N ASP A 52 20.248 64.298 -14.472 1.00 2.23 N ATOM 743 CA ASP A 52 21.483 64.682 -15.158 1.00 12.25 C ATOM 744 C ASP A 52 21.988 63.568 -16.066 1.00 34.31 C ATOM 745 O ASP A 52 22.010 63.716 -17.287 1.00 33.15 O ATOM 746 CB ASP A 52 22.556 65.052 -14.131 1.00 5.20 C ATOM 747 CG ASP A 52 23.866 65.503 -14.761 1.00 62.52 C ATOM 748 OD1 ASP A 52 23.853 65.957 -15.923 1.00 12.41 O ATOM 749 OD2 ASP A 52 24.911 65.427 -14.080 1.00 63.02 O1- ATOM 0 H ASP A 52 20.305 64.344 -13.455 1.00 2.23 H new ATOM 0 HA ASP A 52 21.265 65.548 -15.784 1.00 12.25 H new ATOM 0 HB2 ASP A 52 22.176 65.848 -13.491 1.00 5.20 H new ATOM 0 HB3 ASP A 52 22.747 64.191 -13.490 1.00 5.20 H new ATOM 754 N ASN A 53 22.357 62.444 -15.468 1.00 61.25 N ATOM 755 CA ASN A 53 22.905 61.322 -16.229 1.00 42.12 C ATOM 756 C ASN A 53 21.853 60.732 -17.159 1.00 63.01 C ATOM 757 O ASN A 53 22.179 60.154 -18.195 1.00 23.25 O ATOM 758 CB ASN A 53 23.441 60.235 -15.288 1.00 44.53 C ATOM 759 CG ASN A 53 24.710 60.655 -14.573 1.00 73.01 C ATOM 760 OD1 ASN A 53 25.816 60.448 -15.072 1.00 72.42 O ATOM 761 ND2 ASN A 53 24.559 61.239 -13.394 1.00 31.23 N ATOM 0 H ASN A 53 22.289 62.282 -14.463 1.00 61.25 H new ATOM 0 HA ASN A 53 23.730 61.701 -16.832 1.00 42.12 H new ATOM 0 HB2 ASN A 53 22.677 59.990 -14.550 1.00 44.53 H new ATOM 0 HB3 ASN A 53 23.634 59.328 -15.860 1.00 44.53 H new ATOM 0 HD21 ASN A 53 25.378 61.536 -12.863 1.00 31.23 H new ATOM 0 HD22 ASN A 53 23.624 61.392 -13.017 1.00 31.23 H new ATOM 768 N PHE A 54 20.590 60.898 -16.787 1.00 22.14 N ATOM 769 CA PHE A 54 19.475 60.382 -17.567 1.00 43.23 C ATOM 770 C PHE A 54 19.317 61.148 -18.885 1.00 0.30 C ATOM 771 O PHE A 54 19.447 60.571 -19.962 1.00 51.31 O ATOM 772 CB PHE A 54 18.188 60.467 -16.734 1.00 64.13 C ATOM 773 CG PHE A 54 16.964 59.937 -17.428 1.00 32.43 C ATOM 774 CD1 PHE A 54 16.755 58.572 -17.542 1.00 20.25 C ATOM 775 CD2 PHE A 54 16.021 60.802 -17.960 1.00 52.44 C ATOM 776 CE1 PHE A 54 15.629 58.080 -18.171 1.00 74.25 C ATOM 777 CE2 PHE A 54 14.894 60.316 -18.589 1.00 41.13 C ATOM 778 CZ PHE A 54 14.699 58.954 -18.698 1.00 1.54 C ATOM 0 H PHE A 54 20.312 61.392 -15.939 1.00 22.14 H new ATOM 0 HA PHE A 54 19.676 59.340 -17.817 1.00 43.23 H new ATOM 0 HB2 PHE A 54 18.333 59.914 -15.806 1.00 64.13 H new ATOM 0 HB3 PHE A 54 18.014 61.508 -16.461 1.00 64.13 H new ATOM 0 HD1 PHE A 54 17.482 57.885 -17.134 1.00 20.25 H new ATOM 0 HD2 PHE A 54 16.170 61.869 -17.881 1.00 52.44 H new ATOM 0 HE1 PHE A 54 15.476 57.014 -18.251 1.00 74.25 H new ATOM 0 HE2 PHE A 54 14.165 61.001 -18.996 1.00 41.13 H new ATOM 0 HZ PHE A 54 13.820 58.572 -19.195 1.00 1.54 H new ATOM 788 N THR A 55 19.079 62.454 -18.794 1.00 75.41 N ATOM 789 CA THR A 55 18.755 63.254 -19.974 1.00 62.12 C ATOM 790 C THR A 55 19.990 63.497 -20.842 1.00 21.25 C ATOM 791 O THR A 55 19.871 63.793 -22.032 1.00 1.24 O ATOM 792 CB THR A 55 18.107 64.608 -19.586 1.00 4.21 C ATOM 793 OG1 THR A 55 17.573 65.256 -20.750 1.00 21.43 O ATOM 794 CG2 THR A 55 19.113 65.533 -18.916 1.00 4.31 C ATOM 0 H THR A 55 19.104 62.980 -17.920 1.00 75.41 H new ATOM 0 HA THR A 55 18.032 62.680 -20.553 1.00 62.12 H new ATOM 0 HB THR A 55 17.304 64.397 -18.880 1.00 4.21 H new ATOM 0 HG1 THR A 55 18.092 64.992 -21.538 1.00 21.43 H new ATOM 0 HG21 THR A 55 18.626 66.473 -18.657 1.00 4.31 H new ATOM 0 HG22 THR A 55 19.495 65.061 -18.011 1.00 4.31 H new ATOM 0 HG23 THR A 55 19.939 65.728 -19.600 1.00 4.31 H new ATOM 802 N GLN A 56 21.169 63.353 -20.253 1.00 32.54 N ATOM 803 CA GLN A 56 22.418 63.552 -20.982 1.00 40.22 C ATOM 804 C GLN A 56 22.709 62.356 -21.881 1.00 42.31 C ATOM 805 O GLN A 56 23.261 62.505 -22.967 1.00 33.50 O ATOM 806 CB GLN A 56 23.580 63.783 -20.014 1.00 24.31 C ATOM 807 CG GLN A 56 24.033 65.236 -19.922 1.00 3.12 C ATOM 808 CD GLN A 56 22.904 66.204 -19.614 1.00 23.51 C ATOM 809 OE1 GLN A 56 22.263 66.733 -20.521 1.00 22.43 O ATOM 810 NE2 GLN A 56 22.652 66.449 -18.337 1.00 51.20 N ATOM 0 H GLN A 56 21.289 63.099 -19.272 1.00 32.54 H new ATOM 0 HA GLN A 56 22.309 64.439 -21.606 1.00 40.22 H new ATOM 0 HB2 GLN A 56 23.286 63.442 -19.022 1.00 24.31 H new ATOM 0 HB3 GLN A 56 24.425 63.169 -20.325 1.00 24.31 H new ATOM 0 HG2 GLN A 56 24.796 65.322 -19.148 1.00 3.12 H new ATOM 0 HG3 GLN A 56 24.500 65.523 -20.864 1.00 3.12 H new ATOM 0 HE21 GLN A 56 23.204 65.992 -17.611 1.00 51.20 H new ATOM 0 HE22 GLN A 56 21.906 67.095 -18.079 1.00 51.20 H new ATOM 819 N ALA A 57 22.316 61.171 -21.431 1.00 43.12 N ATOM 820 CA ALA A 57 22.506 59.959 -22.215 1.00 74.22 C ATOM 821 C ALA A 57 21.533 59.922 -23.390 1.00 13.44 C ATOM 822 O ALA A 57 21.781 59.264 -24.403 1.00 44.41 O ATOM 823 CB ALA A 57 22.319 58.732 -21.341 1.00 32.32 C ATOM 0 H ALA A 57 21.864 61.024 -20.528 1.00 43.12 H new ATOM 0 HA ALA A 57 23.523 59.959 -22.608 1.00 74.22 H new ATOM 0 HB1 ALA A 57 22.464 57.833 -21.940 1.00 32.32 H new ATOM 0 HB2 ALA A 57 23.047 58.749 -20.530 1.00 32.32 H new ATOM 0 HB3 ALA A 57 21.312 58.732 -20.925 1.00 32.32 H new ATOM 829 N ILE A 58 20.426 60.638 -23.244 1.00 52.41 N ATOM 830 CA ILE A 58 19.409 60.695 -24.281 1.00 43.42 C ATOM 831 C ILE A 58 19.889 61.535 -25.463 1.00 42.32 C ATOM 832 O ILE A 58 19.472 61.314 -26.597 1.00 2.22 O ATOM 833 CB ILE A 58 18.079 61.271 -23.746 1.00 4.31 C ATOM 834 CG1 ILE A 58 17.666 60.542 -22.466 1.00 33.32 C ATOM 835 CG2 ILE A 58 16.981 61.155 -24.798 1.00 22.11 C ATOM 836 CD1 ILE A 58 16.298 60.929 -21.949 1.00 75.03 C ATOM 0 H ILE A 58 20.211 61.189 -22.413 1.00 52.41 H new ATOM 0 HA ILE A 58 19.232 59.672 -24.612 1.00 43.42 H new ATOM 0 HB ILE A 58 18.226 62.327 -23.518 1.00 4.31 H new ATOM 0 HG12 ILE A 58 17.682 59.468 -22.651 1.00 33.32 H new ATOM 0 HG13 ILE A 58 18.406 60.743 -21.691 1.00 33.32 H new ATOM 0 HG21 ILE A 58 16.053 61.566 -24.402 1.00 22.11 H new ATOM 0 HG22 ILE A 58 17.272 61.710 -25.690 1.00 22.11 H new ATOM 0 HG23 ILE A 58 16.833 60.106 -25.055 1.00 22.11 H new ATOM 0 HD11 ILE A 58 16.081 60.368 -21.040 1.00 75.03 H new ATOM 0 HD12 ILE A 58 16.281 61.997 -21.730 1.00 75.03 H new ATOM 0 HD13 ILE A 58 15.546 60.701 -22.704 1.00 75.03 H new ATOM 848 N GLN A 59 20.791 62.477 -25.198 1.00 20.32 N ATOM 849 CA GLN A 59 21.300 63.366 -26.240 1.00 43.14 C ATOM 850 C GLN A 59 21.912 62.568 -27.387 1.00 30.01 C ATOM 851 O GLN A 59 21.751 62.921 -28.555 1.00 22.32 O ATOM 852 CB GLN A 59 22.333 64.336 -25.665 1.00 0.24 C ATOM 853 CG GLN A 59 21.762 65.303 -24.639 1.00 33.03 C ATOM 854 CD GLN A 59 22.787 66.310 -24.147 1.00 32.54 C ATOM 855 OE1 GLN A 59 23.982 66.026 -24.093 1.00 24.13 O ATOM 856 NE2 GLN A 59 22.328 67.501 -23.792 1.00 51.23 N ATOM 0 H GLN A 59 21.184 62.645 -24.272 1.00 20.32 H new ATOM 0 HA GLN A 59 20.459 63.940 -26.629 1.00 43.14 H new ATOM 0 HB2 GLN A 59 23.137 63.764 -25.203 1.00 0.24 H new ATOM 0 HB3 GLN A 59 22.776 64.907 -26.481 1.00 0.24 H new ATOM 0 HG2 GLN A 59 20.918 65.835 -25.078 1.00 33.03 H new ATOM 0 HG3 GLN A 59 21.376 64.739 -23.790 1.00 33.03 H new ATOM 0 HE21 GLN A 59 21.329 67.701 -23.850 1.00 51.23 H new ATOM 0 HE22 GLN A 59 22.973 68.218 -23.461 1.00 51.23 H new ATOM 865 N SER A 60 22.587 61.480 -27.045 1.00 51.04 N ATOM 866 CA SER A 60 23.209 60.617 -28.038 1.00 11.41 C ATOM 867 C SER A 60 22.162 59.968 -28.951 1.00 54.31 C ATOM 868 O SER A 60 22.337 59.924 -30.171 1.00 71.15 O ATOM 869 CB SER A 60 24.045 59.543 -27.338 1.00 73.34 C ATOM 870 OG SER A 60 25.018 60.133 -26.489 1.00 3.51 O ATOM 0 H SER A 60 22.718 61.173 -26.081 1.00 51.04 H new ATOM 0 HA SER A 60 23.858 61.229 -28.664 1.00 11.41 H new ATOM 0 HB2 SER A 60 23.394 58.892 -26.754 1.00 73.34 H new ATOM 0 HB3 SER A 60 24.537 58.917 -28.082 1.00 73.34 H new ATOM 0 HG SER A 60 25.540 59.429 -26.050 1.00 3.51 H new ATOM 876 N GLN A 61 21.064 59.491 -28.367 1.00 30.10 N ATOM 877 CA GLN A 61 20.049 58.776 -29.140 1.00 24.42 C ATOM 878 C GLN A 61 19.142 59.747 -29.894 1.00 14.32 C ATOM 879 O GLN A 61 18.520 59.375 -30.892 1.00 1.12 O ATOM 880 CB GLN A 61 19.216 57.843 -28.246 1.00 64.21 C ATOM 881 CG GLN A 61 18.353 58.556 -27.223 1.00 32.32 C ATOM 882 CD GLN A 61 17.434 57.607 -26.479 1.00 64.01 C ATOM 883 OE1 GLN A 61 16.309 57.348 -26.910 1.00 52.54 O ATOM 884 NE2 GLN A 61 17.900 57.079 -25.358 1.00 61.52 N ATOM 0 H GLN A 61 20.855 59.585 -27.373 1.00 30.10 H new ATOM 0 HA GLN A 61 20.573 58.161 -29.872 1.00 24.42 H new ATOM 0 HB2 GLN A 61 18.575 57.231 -28.880 1.00 64.21 H new ATOM 0 HB3 GLN A 61 19.890 57.164 -27.724 1.00 64.21 H new ATOM 0 HG2 GLN A 61 18.994 59.072 -26.508 1.00 32.32 H new ATOM 0 HG3 GLN A 61 17.756 59.318 -27.724 1.00 32.32 H new ATOM 0 HE21 GLN A 61 18.837 57.317 -25.033 1.00 61.52 H new ATOM 0 HE22 GLN A 61 17.322 56.434 -24.819 1.00 61.52 H new ATOM 893 N ILE A 62 19.075 60.993 -29.430 1.00 25.21 N ATOM 894 CA ILE A 62 18.276 62.013 -30.106 1.00 60.23 C ATOM 895 C ILE A 62 18.870 62.311 -31.475 1.00 4.22 C ATOM 896 O ILE A 62 18.147 62.536 -32.446 1.00 73.53 O ATOM 897 CB ILE A 62 18.192 63.326 -29.286 1.00 31.41 C ATOM 898 CG1 ILE A 62 17.439 63.088 -27.978 1.00 75.12 C ATOM 899 CG2 ILE A 62 17.513 64.432 -30.091 1.00 11.33 C ATOM 900 CD1 ILE A 62 17.387 64.303 -27.073 1.00 54.33 C ATOM 0 H ILE A 62 19.561 61.319 -28.595 1.00 25.21 H new ATOM 0 HA ILE A 62 17.265 61.618 -30.211 1.00 60.23 H new ATOM 0 HB ILE A 62 19.208 63.646 -29.056 1.00 31.41 H new ATOM 0 HG12 ILE A 62 16.421 62.774 -28.208 1.00 75.12 H new ATOM 0 HG13 ILE A 62 17.913 62.266 -27.441 1.00 75.12 H new ATOM 0 HG21 ILE A 62 17.467 65.342 -29.492 1.00 11.33 H new ATOM 0 HG22 ILE A 62 18.084 64.624 -30.999 1.00 11.33 H new ATOM 0 HG23 ILE A 62 16.503 64.121 -30.356 1.00 11.33 H new ATOM 0 HD11 ILE A 62 16.837 64.057 -26.165 1.00 54.33 H new ATOM 0 HD12 ILE A 62 18.401 64.606 -26.812 1.00 54.33 H new ATOM 0 HD13 ILE A 62 16.886 65.121 -27.591 1.00 54.33 H new ATOM 912 N LEU A 63 20.196 62.275 -31.545 1.00 64.35 N ATOM 913 CA LEU A 63 20.911 62.513 -32.790 1.00 53.53 C ATOM 914 C LEU A 63 20.465 61.535 -33.877 1.00 34.31 C ATOM 915 O LEU A 63 20.187 61.934 -35.007 1.00 74.53 O ATOM 916 CB LEU A 63 22.420 62.389 -32.563 1.00 24.15 C ATOM 917 CG LEU A 63 23.018 63.390 -31.569 1.00 14.34 C ATOM 918 CD1 LEU A 63 24.515 63.156 -31.407 1.00 52.54 C ATOM 919 CD2 LEU A 63 22.747 64.820 -32.020 1.00 61.01 C ATOM 0 H LEU A 63 20.800 62.081 -30.746 1.00 64.35 H new ATOM 0 HA LEU A 63 20.679 63.524 -33.125 1.00 53.53 H new ATOM 0 HB2 LEU A 63 22.636 61.380 -32.211 1.00 24.15 H new ATOM 0 HB3 LEU A 63 22.926 62.508 -33.521 1.00 24.15 H new ATOM 0 HG LEU A 63 22.540 63.238 -30.601 1.00 14.34 H new ATOM 0 HD11 LEU A 63 24.921 63.877 -30.697 1.00 52.54 H new ATOM 0 HD12 LEU A 63 24.687 62.145 -31.037 1.00 52.54 H new ATOM 0 HD13 LEU A 63 25.009 63.278 -32.371 1.00 52.54 H new ATOM 0 HD21 LEU A 63 23.179 65.516 -31.301 1.00 61.01 H new ATOM 0 HD22 LEU A 63 23.196 64.984 -32.999 1.00 61.01 H new ATOM 0 HD23 LEU A 63 21.671 64.984 -32.082 1.00 61.01 H new ATOM 931 N GLY A 64 20.384 60.259 -33.519 1.00 54.14 N ATOM 932 CA GLY A 64 19.938 59.249 -34.460 1.00 43.53 C ATOM 933 C GLY A 64 18.489 59.442 -34.851 1.00 42.50 C ATOM 934 O GLY A 64 18.115 59.241 -36.008 1.00 45.41 O ATOM 0 H GLY A 64 20.620 59.905 -32.592 1.00 54.14 H new ATOM 0 HA2 GLY A 64 20.563 59.284 -35.353 1.00 43.53 H new ATOM 0 HA3 GLY A 64 20.066 58.260 -34.019 1.00 43.53 H new ATOM 938 N GLY A 65 17.675 59.852 -33.883 1.00 25.24 N ATOM 939 CA GLY A 65 16.271 60.108 -34.146 1.00 5.50 C ATOM 940 C GLY A 65 16.075 61.222 -35.153 1.00 33.53 C ATOM 941 O GLY A 65 15.219 61.129 -36.030 1.00 11.34 O ATOM 0 H GLY A 65 17.964 60.012 -32.918 1.00 25.24 H new ATOM 0 HA2 GLY A 65 15.800 59.198 -34.517 1.00 5.50 H new ATOM 0 HA3 GLY A 65 15.770 60.370 -33.214 1.00 5.50 H new ATOM 945 N LEU A 66 16.882 62.271 -35.033 1.00 53.33 N ATOM 946 CA LEU A 66 16.816 63.403 -35.953 1.00 72.23 C ATOM 947 C LEU A 66 17.134 62.965 -37.378 1.00 34.12 C ATOM 948 O LEU A 66 16.488 63.393 -38.330 1.00 33.03 O ATOM 949 CB LEU A 66 17.792 64.503 -35.524 1.00 31.31 C ATOM 950 CG LEU A 66 17.498 65.152 -34.171 1.00 64.21 C ATOM 951 CD1 LEU A 66 18.573 66.169 -33.825 1.00 22.03 C ATOM 952 CD2 LEU A 66 16.129 65.805 -34.181 1.00 65.03 C ATOM 0 H LEU A 66 17.592 62.362 -34.306 1.00 53.33 H new ATOM 0 HA LEU A 66 15.800 63.796 -35.925 1.00 72.23 H new ATOM 0 HB2 LEU A 66 18.797 64.082 -35.495 1.00 31.31 H new ATOM 0 HB3 LEU A 66 17.794 65.281 -36.288 1.00 31.31 H new ATOM 0 HG LEU A 66 17.501 64.375 -33.407 1.00 64.21 H new ATOM 0 HD11 LEU A 66 18.348 66.621 -32.859 1.00 22.03 H new ATOM 0 HD12 LEU A 66 19.542 65.672 -33.776 1.00 22.03 H new ATOM 0 HD13 LEU A 66 18.601 66.944 -34.591 1.00 22.03 H new ATOM 0 HD21 LEU A 66 15.937 66.262 -33.210 1.00 65.03 H new ATOM 0 HD22 LEU A 66 16.097 66.571 -34.955 1.00 65.03 H new ATOM 0 HD23 LEU A 66 15.368 65.052 -34.385 1.00 65.03 H new ATOM 964 N LEU A 67 18.131 62.098 -37.514 1.00 53.21 N ATOM 965 CA LEU A 67 18.524 61.586 -38.820 1.00 64.45 C ATOM 966 C LEU A 67 17.426 60.699 -39.406 1.00 60.43 C ATOM 967 O LEU A 67 17.229 60.654 -40.621 1.00 44.24 O ATOM 968 CB LEU A 67 19.831 60.796 -38.708 1.00 51.43 C ATOM 969 CG LEU A 67 21.026 61.581 -38.168 1.00 3.00 C ATOM 970 CD1 LEU A 67 22.244 60.675 -38.043 1.00 70.32 C ATOM 971 CD2 LEU A 67 21.337 62.769 -39.068 1.00 22.21 C ATOM 0 H LEU A 67 18.681 61.735 -36.736 1.00 53.21 H new ATOM 0 HA LEU A 67 18.677 62.434 -39.487 1.00 64.45 H new ATOM 0 HB2 LEU A 67 19.661 59.935 -38.062 1.00 51.43 H new ATOM 0 HB3 LEU A 67 20.088 60.409 -39.694 1.00 51.43 H new ATOM 0 HG LEU A 67 20.771 61.958 -37.178 1.00 3.00 H new ATOM 0 HD11 LEU A 67 23.086 61.249 -37.657 1.00 70.32 H new ATOM 0 HD12 LEU A 67 22.020 59.856 -37.360 1.00 70.32 H new ATOM 0 HD13 LEU A 67 22.499 60.271 -39.023 1.00 70.32 H new ATOM 0 HD21 LEU A 67 22.191 63.316 -38.667 1.00 22.21 H new ATOM 0 HD22 LEU A 67 21.572 62.414 -40.071 1.00 22.21 H new ATOM 0 HD23 LEU A 67 20.471 63.430 -39.111 1.00 22.21 H new ATOM 983 N SER A 68 16.705 60.012 -38.528 1.00 40.32 N ATOM 984 CA SER A 68 15.638 59.113 -38.943 1.00 11.31 C ATOM 985 C SER A 68 14.446 59.907 -39.483 1.00 75.02 C ATOM 986 O SER A 68 13.679 59.410 -40.312 1.00 75.11 O ATOM 987 CB SER A 68 15.215 58.229 -37.764 1.00 0.14 C ATOM 988 OG SER A 68 14.431 57.129 -38.195 1.00 4.11 O ATOM 0 H SER A 68 16.842 60.062 -37.518 1.00 40.32 H new ATOM 0 HA SER A 68 16.006 58.473 -39.745 1.00 11.31 H new ATOM 0 HB2 SER A 68 16.101 57.864 -37.245 1.00 0.14 H new ATOM 0 HB3 SER A 68 14.648 58.823 -37.047 1.00 0.14 H new ATOM 0 HG SER A 68 14.445 56.429 -37.509 1.00 4.11 H new ATOM 994 N ASN A 69 14.323 61.158 -39.044 1.00 22.22 N ATOM 995 CA ASN A 69 13.223 62.028 -39.460 1.00 3.21 C ATOM 996 C ASN A 69 13.351 62.437 -40.927 1.00 33.23 C ATOM 997 O ASN A 69 12.418 62.993 -41.511 1.00 41.32 O ATOM 998 CB ASN A 69 13.169 63.281 -38.579 1.00 53.44 C ATOM 999 CG ASN A 69 12.517 63.038 -37.229 1.00 25.14 C ATOM 1000 OD1 ASN A 69 12.517 61.922 -36.709 1.00 41.35 O ATOM 1001 ND2 ASN A 69 11.969 64.092 -36.645 1.00 2.13 N ATOM 0 H ASN A 69 14.977 61.595 -38.395 1.00 22.22 H new ATOM 0 HA ASN A 69 12.299 61.462 -39.344 1.00 3.21 H new ATOM 0 HB2 ASN A 69 14.182 63.652 -38.424 1.00 53.44 H new ATOM 0 HB3 ASN A 69 12.620 64.063 -39.104 1.00 53.44 H new ATOM 0 HD21 ASN A 69 11.526 63.996 -35.731 1.00 2.13 H new ATOM 0 HD22 ASN A 69 11.990 65.000 -37.109 1.00 2.13 H new ATOM 1008 N ILE A 70 14.505 62.167 -41.518 1.00 71.41 N ATOM 1009 CA ILE A 70 14.733 62.476 -42.925 1.00 54.25 C ATOM 1010 C ILE A 70 14.269 61.307 -43.799 1.00 15.54 C ATOM 1011 O ILE A 70 14.047 61.453 -45.002 1.00 23.53 O ATOM 1012 CB ILE A 70 16.228 62.781 -43.193 1.00 3.10 C ATOM 1013 CG1 ILE A 70 16.716 63.906 -42.272 1.00 23.53 C ATOM 1014 CG2 ILE A 70 16.460 63.162 -44.650 1.00 12.32 C ATOM 1015 CD1 ILE A 70 15.954 65.203 -42.437 1.00 42.43 C ATOM 0 H ILE A 70 15.299 61.734 -41.047 1.00 71.41 H new ATOM 0 HA ILE A 70 14.155 63.365 -43.178 1.00 54.25 H new ATOM 0 HB ILE A 70 16.797 61.876 -42.983 1.00 3.10 H new ATOM 0 HG12 ILE A 70 16.634 63.576 -41.236 1.00 23.53 H new ATOM 0 HG13 ILE A 70 17.773 64.089 -42.466 1.00 23.53 H new ATOM 0 HG21 ILE A 70 17.518 63.370 -44.808 1.00 12.32 H new ATOM 0 HG22 ILE A 70 16.152 62.339 -45.295 1.00 12.32 H new ATOM 0 HG23 ILE A 70 15.876 64.050 -44.891 1.00 12.32 H new ATOM 0 HD11 ILE A 70 16.356 65.951 -41.753 1.00 42.43 H new ATOM 0 HD12 ILE A 70 16.056 65.557 -43.463 1.00 42.43 H new ATOM 0 HD13 ILE A 70 14.900 65.037 -42.214 1.00 42.43 H new ATOM 1027 N ASN A 71 14.102 60.151 -43.175 1.00 10.14 N ATOM 1028 CA ASN A 71 13.678 58.945 -43.874 1.00 44.34 C ATOM 1029 C ASN A 71 12.224 58.606 -43.539 1.00 55.34 C ATOM 1030 O ASN A 71 11.404 58.410 -44.440 1.00 20.43 O ATOM 1031 CB ASN A 71 14.609 57.784 -43.512 1.00 33.10 C ATOM 1032 CG ASN A 71 13.972 56.428 -43.724 1.00 24.15 C ATOM 1033 OD1 ASN A 71 13.383 55.871 -42.801 1.00 2.11 O ATOM 1034 ND2 ASN A 71 14.081 55.887 -44.928 1.00 61.43 N ATOM 0 H ASN A 71 14.255 60.021 -42.175 1.00 10.14 H new ATOM 0 HA ASN A 71 13.737 59.119 -44.948 1.00 44.34 H new ATOM 0 HB2 ASN A 71 15.516 57.851 -44.113 1.00 33.10 H new ATOM 0 HB3 ASN A 71 14.910 57.879 -42.469 1.00 33.10 H new ATOM 0 HD21 ASN A 71 13.667 54.974 -45.116 1.00 61.43 H new ATOM 0 HD22 ASN A 71 14.579 56.383 -45.667 1.00 61.43 H new ATOM 1041 N THR A 72 11.921 58.539 -42.238 1.00 12.11 N ATOM 1042 CA THR A 72 10.555 58.325 -41.726 1.00 23.30 C ATOM 1043 C THR A 72 9.833 57.117 -42.347 1.00 44.31 C ATOM 1044 O THR A 72 8.603 57.106 -42.440 1.00 44.23 O ATOM 1045 CB THR A 72 9.683 59.592 -41.894 1.00 2.13 C ATOM 1046 OG1 THR A 72 9.783 60.114 -43.228 1.00 14.23 O ATOM 1047 CG2 THR A 72 10.093 60.665 -40.898 1.00 53.31 C ATOM 0 H THR A 72 12.620 58.632 -41.501 1.00 12.11 H new ATOM 0 HA THR A 72 10.686 58.105 -40.667 1.00 23.30 H new ATOM 0 HB THR A 72 8.649 59.305 -41.705 1.00 2.13 H new ATOM 0 HG1 THR A 72 10.029 59.393 -43.844 1.00 14.23 H new ATOM 0 HG21 THR A 72 9.467 61.547 -41.034 1.00 53.31 H new ATOM 0 HG22 THR A 72 9.970 60.286 -39.884 1.00 53.31 H new ATOM 0 HG23 THR A 72 11.137 60.933 -41.061 1.00 53.31 H new ATOM 1055 N GLY A 73 10.582 56.091 -42.738 1.00 3.13 N ATOM 1056 CA GLY A 73 9.957 54.896 -43.281 1.00 42.41 C ATOM 1057 C GLY A 73 10.838 53.666 -43.172 1.00 24.53 C ATOM 1058 O GLY A 73 10.603 52.665 -43.848 1.00 71.02 O ATOM 0 H GLY A 73 11.601 56.064 -42.690 1.00 3.13 H new ATOM 0 HA2 GLY A 73 9.019 54.712 -42.756 1.00 42.41 H new ATOM 0 HA3 GLY A 73 9.708 55.067 -44.328 1.00 42.41 H new ATOM 1062 N LYS A 74 11.871 53.763 -42.343 1.00 31.51 N ATOM 1063 CA LYS A 74 12.822 52.675 -42.148 1.00 51.44 C ATOM 1064 C LYS A 74 12.128 51.402 -41.678 1.00 44.43 C ATOM 1065 O LYS A 74 11.163 51.456 -40.912 1.00 24.01 O ATOM 1066 CB LYS A 74 13.917 53.068 -41.138 1.00 23.21 C ATOM 1067 CG LYS A 74 13.439 53.267 -39.696 1.00 4.23 C ATOM 1068 CD LYS A 74 12.696 54.581 -39.489 1.00 20.20 C ATOM 1069 CE LYS A 74 12.307 54.764 -38.030 1.00 35.24 C ATOM 1070 NZ LYS A 74 11.666 56.084 -37.773 1.00 22.45 N1+ ATOM 0 H LYS A 74 12.073 54.595 -41.789 1.00 31.51 H new ATOM 0 HA LYS A 74 13.285 52.481 -43.116 1.00 51.44 H new ATOM 0 HB2 LYS A 74 14.687 52.297 -41.144 1.00 23.21 H new ATOM 0 HB3 LYS A 74 14.387 53.991 -41.478 1.00 23.21 H new ATOM 0 HG2 LYS A 74 12.786 52.440 -39.418 1.00 4.23 H new ATOM 0 HG3 LYS A 74 14.299 53.233 -39.027 1.00 4.23 H new ATOM 0 HD2 LYS A 74 13.324 55.412 -39.808 1.00 20.20 H new ATOM 0 HD3 LYS A 74 11.802 54.599 -40.112 1.00 20.20 H new ATOM 0 HE2 LYS A 74 11.623 53.968 -37.737 1.00 35.24 H new ATOM 0 HE3 LYS A 74 13.195 54.667 -37.405 1.00 35.24 H new ATOM 0 HZ1 LYS A 74 11.254 56.090 -36.818 1.00 22.45 H new ATOM 0 HZ2 LYS A 74 12.380 56.837 -37.846 1.00 22.45 H new ATOM 0 HZ3 LYS A 74 10.916 56.248 -38.475 1.00 22.45 H new ATOM 1084 N PRO A 75 12.612 50.237 -42.134 1.00 62.34 N ATOM 1085 CA PRO A 75 12.142 48.944 -41.651 1.00 2.31 C ATOM 1086 C PRO A 75 12.787 48.584 -40.317 1.00 25.45 C ATOM 1087 O PRO A 75 12.303 47.721 -39.591 1.00 34.43 O ATOM 1088 CB PRO A 75 12.585 47.953 -42.742 1.00 60.25 C ATOM 1089 CG PRO A 75 13.206 48.781 -43.825 1.00 23.21 C ATOM 1090 CD PRO A 75 13.616 50.077 -43.186 1.00 65.03 C ATOM 0 HA PRO A 75 11.066 48.937 -41.479 1.00 2.31 H new ATOM 0 HB2 PRO A 75 13.298 47.230 -42.346 1.00 60.25 H new ATOM 0 HB3 PRO A 75 11.735 47.386 -43.123 1.00 60.25 H new ATOM 0 HG2 PRO A 75 14.067 48.272 -44.258 1.00 23.21 H new ATOM 0 HG3 PRO A 75 12.498 48.954 -44.635 1.00 23.21 H new ATOM 0 HD2 PRO A 75 14.626 50.028 -42.780 1.00 65.03 H new ATOM 0 HD3 PRO A 75 13.597 50.904 -43.896 1.00 65.03 H new ATOM 1098 N GLY A 76 13.883 49.262 -40.004 1.00 12.10 N ATOM 1099 CA GLY A 76 14.589 49.006 -38.768 1.00 14.01 C ATOM 1100 C GLY A 76 16.014 48.555 -39.018 1.00 13.34 C ATOM 1101 O GLY A 76 16.767 49.224 -39.727 1.00 72.12 O ATOM 0 H GLY A 76 14.296 49.988 -40.589 1.00 12.10 H new ATOM 0 HA2 GLY A 76 14.595 49.910 -38.159 1.00 14.01 H new ATOM 0 HA3 GLY A 76 14.060 48.242 -38.199 1.00 14.01 H new ATOM 1105 N ARG A 77 16.377 47.417 -38.451 1.00 2.44 N ATOM 1106 CA ARG A 77 17.711 46.861 -38.617 1.00 13.33 C ATOM 1107 C ARG A 77 17.622 45.354 -38.787 1.00 22.11 C ATOM 1108 O ARG A 77 16.591 44.752 -38.490 1.00 0.25 O ATOM 1109 CB ARG A 77 18.596 47.208 -37.415 1.00 21.41 C ATOM 1110 CG ARG A 77 17.997 46.811 -36.073 1.00 30.43 C ATOM 1111 CD ARG A 77 18.977 47.033 -34.936 1.00 20.32 C ATOM 1112 NE ARG A 77 18.355 46.839 -33.627 1.00 45.02 N ATOM 1113 CZ ARG A 77 18.871 46.088 -32.653 1.00 1.11 C ATOM 1114 NH1 ARG A 77 19.980 45.381 -32.861 1.00 21.40 N1+ ATOM 1115 NH2 ARG A 77 18.271 46.040 -31.470 1.00 14.15 N ATOM 0 H ARG A 77 15.760 46.854 -37.865 1.00 2.44 H new ATOM 0 HA ARG A 77 18.162 47.296 -39.509 1.00 13.33 H new ATOM 0 HB2 ARG A 77 19.561 46.714 -37.532 1.00 21.41 H new ATOM 0 HB3 ARG A 77 18.786 48.281 -37.414 1.00 21.41 H new ATOM 0 HG2 ARG A 77 17.092 47.391 -35.892 1.00 30.43 H new ATOM 0 HG3 ARG A 77 17.703 45.762 -36.101 1.00 30.43 H new ATOM 0 HD2 ARG A 77 19.817 46.347 -35.043 1.00 20.32 H new ATOM 0 HD3 ARG A 77 19.381 48.043 -34.999 1.00 20.32 H new ATOM 0 HE ARG A 77 17.468 47.309 -33.447 1.00 45.02 H new ATOM 0 HH11 ARG A 77 20.441 45.411 -33.770 1.00 21.40 H new ATOM 0 HH12 ARG A 77 20.368 44.809 -32.111 1.00 21.40 H new ATOM 0 HH21 ARG A 77 17.418 46.576 -31.308 1.00 14.15 H new ATOM 0 HH22 ARG A 77 18.662 45.467 -30.723 1.00 14.15 H new ATOM 1129 N MET A 78 18.698 44.748 -39.259 1.00 12.00 N ATOM 1130 CA MET A 78 18.719 43.313 -39.473 1.00 2.03 C ATOM 1131 C MET A 78 19.637 42.640 -38.464 1.00 70.13 C ATOM 1132 O MET A 78 20.843 42.897 -38.436 1.00 44.34 O ATOM 1133 CB MET A 78 19.174 42.985 -40.895 1.00 63.14 C ATOM 1134 CG MET A 78 19.187 41.494 -41.185 1.00 52.15 C ATOM 1135 SD MET A 78 19.781 41.106 -42.841 1.00 73.31 S ATOM 1136 CE MET A 78 19.610 39.325 -42.826 1.00 35.54 C ATOM 0 H MET A 78 19.566 45.227 -39.500 1.00 12.00 H new ATOM 0 HA MET A 78 17.706 42.934 -39.337 1.00 2.03 H new ATOM 0 HB2 MET A 78 18.514 43.482 -41.606 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.174 43.389 -41.053 1.00 63.14 H new ATOM 0 HG2 MET A 78 19.818 40.992 -40.451 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.179 41.097 -41.064 1.00 52.15 H new ATOM 0 HE1 MET A 78 19.937 38.920 -43.784 1.00 35.54 H new ATOM 0 HE2 MET A 78 20.223 38.907 -42.027 1.00 35.54 H new ATOM 0 HE3 MET A 78 18.566 39.061 -42.658 1.00 35.54 H new ATOM 1146 N VAL A 79 19.063 41.787 -37.629 1.00 63.22 N ATOM 1147 CA VAL A 79 19.844 41.056 -36.652 1.00 53.31 C ATOM 1148 C VAL A 79 20.477 39.818 -37.292 1.00 34.33 C ATOM 1149 O VAL A 79 19.874 38.744 -37.371 1.00 23.05 O ATOM 1150 CB VAL A 79 18.998 40.678 -35.409 1.00 51.15 C ATOM 1151 CG1 VAL A 79 17.712 39.961 -35.801 1.00 62.34 C ATOM 1152 CG2 VAL A 79 19.813 39.838 -34.431 1.00 20.14 C ATOM 0 H VAL A 79 18.063 41.587 -37.611 1.00 63.22 H new ATOM 0 HA VAL A 79 20.644 41.710 -36.305 1.00 53.31 H new ATOM 0 HB VAL A 79 18.716 41.606 -34.911 1.00 51.15 H new ATOM 0 HG11 VAL A 79 17.146 39.712 -34.903 1.00 62.34 H new ATOM 0 HG12 VAL A 79 17.113 40.611 -36.439 1.00 62.34 H new ATOM 0 HG13 VAL A 79 17.956 39.046 -36.341 1.00 62.34 H new ATOM 0 HG21 VAL A 79 19.198 39.586 -33.567 1.00 20.14 H new ATOM 0 HG22 VAL A 79 20.141 38.922 -34.923 1.00 20.14 H new ATOM 0 HG23 VAL A 79 20.684 40.405 -34.102 1.00 20.14 H new ATOM 1162 N THR A 80 21.678 39.998 -37.811 1.00 24.24 N ATOM 1163 CA THR A 80 22.419 38.899 -38.389 1.00 43.31 C ATOM 1164 C THR A 80 23.415 38.369 -37.361 1.00 22.22 C ATOM 1165 O THR A 80 24.103 39.140 -36.697 1.00 20.53 O ATOM 1166 CB THR A 80 23.151 39.343 -39.672 1.00 4.42 C ATOM 1167 OG1 THR A 80 22.265 40.118 -40.490 1.00 23.43 O ATOM 1168 CG2 THR A 80 23.647 38.146 -40.465 1.00 23.11 C ATOM 0 H THR A 80 22.159 40.897 -37.843 1.00 24.24 H new ATOM 0 HA THR A 80 21.723 38.106 -38.662 1.00 43.31 H new ATOM 0 HB THR A 80 24.012 39.944 -39.379 1.00 4.42 H new ATOM 0 HG1 THR A 80 22.733 40.400 -41.303 1.00 23.43 H new ATOM 0 HG21 THR A 80 24.159 38.491 -41.363 1.00 23.11 H new ATOM 0 HG22 THR A 80 24.339 37.566 -39.854 1.00 23.11 H new ATOM 0 HG23 THR A 80 22.800 37.520 -40.747 1.00 23.11 H new ATOM 1176 N ASN A 81 23.473 37.055 -37.226 1.00 12.13 N ATOM 1177 CA ASN A 81 24.311 36.417 -36.218 1.00 13.33 C ATOM 1178 C ASN A 81 25.790 36.700 -36.464 1.00 53.52 C ATOM 1179 O ASN A 81 26.579 36.796 -35.525 1.00 72.31 O ATOM 1180 CB ASN A 81 24.059 34.908 -36.227 1.00 31.34 C ATOM 1181 CG ASN A 81 24.861 34.167 -35.177 1.00 23.22 C ATOM 1182 OD1 ASN A 81 25.117 34.684 -34.089 1.00 55.05 O ATOM 1183 ND2 ASN A 81 25.265 32.952 -35.500 1.00 51.02 N ATOM 0 H ASN A 81 22.946 36.402 -37.806 1.00 12.13 H new ATOM 0 HA ASN A 81 24.050 36.829 -35.243 1.00 13.33 H new ATOM 0 HB2 ASN A 81 22.998 34.722 -36.064 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.305 34.510 -37.212 1.00 31.34 H new ATOM 0 HD21 ASN A 81 25.812 32.403 -34.837 1.00 51.02 H new ATOM 0 HD22 ASN A 81 25.030 32.562 -36.413 1.00 51.02 H new ATOM 1190 N ASP A 82 26.160 36.842 -37.725 1.00 32.11 N ATOM 1191 CA ASP A 82 27.558 37.027 -38.093 1.00 24.13 C ATOM 1192 C ASP A 82 27.856 38.477 -38.495 1.00 61.51 C ATOM 1193 O ASP A 82 29.015 38.860 -38.662 1.00 75.51 O ATOM 1194 CB ASP A 82 27.900 36.065 -39.235 1.00 23.52 C ATOM 1195 CG ASP A 82 29.357 36.108 -39.652 1.00 72.21 C ATOM 1196 OD1 ASP A 82 30.245 35.877 -38.799 1.00 63.25 O ATOM 1197 OD2 ASP A 82 29.625 36.328 -40.848 1.00 30.43 O1- ATOM 0 H ASP A 82 25.513 36.833 -38.514 1.00 32.11 H new ATOM 0 HA ASP A 82 28.180 36.808 -37.225 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.648 35.049 -38.930 1.00 23.52 H new ATOM 0 HB3 ASP A 82 27.277 36.303 -40.097 1.00 23.52 H new ATOM 1202 N TYR A 83 26.814 39.293 -38.617 1.00 2.10 N ATOM 1203 CA TYR A 83 26.979 40.667 -39.089 1.00 61.22 C ATOM 1204 C TYR A 83 25.963 41.617 -38.464 1.00 25.13 C ATOM 1205 O TYR A 83 24.772 41.324 -38.394 1.00 35.42 O ATOM 1206 CB TYR A 83 26.847 40.733 -40.614 1.00 22.35 C ATOM 1207 CG TYR A 83 28.077 40.281 -41.367 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.088 39.091 -42.084 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.235 41.048 -41.352 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.216 38.687 -42.772 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.362 40.650 -42.037 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.351 39.469 -42.739 1.00 0.23 C ATOM 1213 OH TYR A 83 31.483 39.074 -43.415 1.00 35.22 O ATOM 0 H TYR A 83 25.853 39.031 -38.398 1.00 2.10 H new ATOM 0 HA TYR A 83 27.977 40.983 -38.786 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.002 40.117 -40.920 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.616 41.758 -40.903 1.00 22.35 H new ATOM 0 HD1 TYR A 83 27.202 38.473 -42.104 1.00 54.31 H new ATOM 0 HD2 TYR A 83 29.252 41.972 -40.794 1.00 61.31 H new ATOM 0 HE1 TYR A 83 29.209 37.764 -43.332 1.00 54.50 H new ATOM 0 HE2 TYR A 83 31.251 41.264 -42.022 1.00 43.02 H new ATOM 0 HH TYR A 83 32.190 39.741 -43.287 1.00 35.22 H new ATOM 1223 N ILE A 84 26.441 42.765 -38.019 1.00 71.04 N ATOM 1224 CA ILE A 84 25.561 43.820 -37.540 1.00 33.43 C ATOM 1225 C ILE A 84 25.131 44.686 -38.714 1.00 24.33 C ATOM 1226 O ILE A 84 25.937 45.432 -39.263 1.00 13.30 O ATOM 1227 CB ILE A 84 26.252 44.699 -36.478 1.00 35.11 C ATOM 1228 CG1 ILE A 84 26.676 43.847 -35.281 1.00 70.51 C ATOM 1229 CG2 ILE A 84 25.339 45.838 -36.037 1.00 63.41 C ATOM 1230 CD1 ILE A 84 25.524 43.122 -34.617 1.00 21.15 C ATOM 0 H ILE A 84 27.435 42.992 -37.979 1.00 71.04 H new ATOM 0 HA ILE A 84 24.693 43.353 -37.075 1.00 33.43 H new ATOM 0 HB ILE A 84 27.144 45.140 -36.922 1.00 35.11 H new ATOM 0 HG12 ILE A 84 27.414 43.115 -35.609 1.00 70.51 H new ATOM 0 HG13 ILE A 84 27.165 44.486 -34.546 1.00 70.51 H new ATOM 0 HG21 ILE A 84 25.849 46.444 -35.288 1.00 63.41 H new ATOM 0 HG22 ILE A 84 25.090 46.459 -36.898 1.00 63.41 H new ATOM 0 HG23 ILE A 84 24.424 45.427 -35.610 1.00 63.41 H new ATOM 0 HD11 ILE A 84 25.898 42.538 -33.776 1.00 21.15 H new ATOM 0 HD12 ILE A 84 24.795 43.849 -34.258 1.00 21.15 H new ATOM 0 HD13 ILE A 84 25.048 42.457 -35.338 1.00 21.15 H new ATOM 1242 N VAL A 85 23.871 44.570 -39.105 1.00 45.21 N ATOM 1243 CA VAL A 85 23.380 45.259 -40.290 1.00 41.00 C ATOM 1244 C VAL A 85 22.299 46.273 -39.935 1.00 52.13 C ATOM 1245 O VAL A 85 21.210 45.904 -39.493 1.00 43.50 O ATOM 1246 CB VAL A 85 22.811 44.256 -41.316 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.336 44.972 -42.569 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.847 43.197 -41.666 1.00 64.33 C ATOM 0 H VAL A 85 23.171 44.007 -38.621 1.00 45.21 H new ATOM 0 HA VAL A 85 24.229 45.784 -40.728 1.00 41.00 H new ATOM 0 HB VAL A 85 21.953 43.760 -40.862 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.940 44.243 -43.276 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.555 45.685 -42.306 1.00 1.04 H new ATOM 0 HG13 VAL A 85 23.173 45.502 -43.025 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.425 42.501 -42.390 1.00 64.33 H new ATOM 0 HG22 VAL A 85 24.727 43.677 -42.094 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.132 42.654 -40.764 1.00 64.33 H new ATOM 1258 N ASP A 86 22.603 47.549 -40.126 1.00 31.13 N ATOM 1259 CA ASP A 86 21.620 48.604 -39.915 1.00 20.21 C ATOM 1260 C ASP A 86 21.472 49.444 -41.179 1.00 24.31 C ATOM 1261 O ASP A 86 22.437 49.662 -41.920 1.00 74.51 O ATOM 1262 CB ASP A 86 21.975 49.488 -38.708 1.00 4.42 C ATOM 1263 CG ASP A 86 23.264 50.274 -38.869 1.00 33.31 C ATOM 1264 OD1 ASP A 86 24.316 49.799 -38.387 1.00 21.44 O ATOM 1265 OD2 ASP A 86 23.224 51.389 -39.435 1.00 45.22 O1- ATOM 0 H ASP A 86 23.520 47.879 -40.426 1.00 31.13 H new ATOM 0 HA ASP A 86 20.665 48.129 -39.692 1.00 20.21 H new ATOM 0 HB2 ASP A 86 21.157 50.186 -38.530 1.00 4.42 H new ATOM 0 HB3 ASP A 86 22.055 48.858 -37.822 1.00 4.42 H new ATOM 1270 N ILE A 87 20.250 49.891 -41.436 1.00 70.13 N ATOM 1271 CA ILE A 87 19.945 50.617 -42.657 1.00 11.31 C ATOM 1272 C ILE A 87 19.849 52.115 -42.390 1.00 5.45 C ATOM 1273 O ILE A 87 18.953 52.573 -41.680 1.00 31.44 O ATOM 1274 CB ILE A 87 18.617 50.133 -43.284 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.655 48.620 -43.517 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.349 50.869 -44.592 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.348 48.048 -44.033 1.00 31.30 C ATOM 0 H ILE A 87 19.453 49.762 -40.812 1.00 70.13 H new ATOM 0 HA ILE A 87 20.759 50.423 -43.355 1.00 11.31 H new ATOM 0 HB ILE A 87 17.805 50.353 -42.591 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.448 48.391 -44.229 1.00 41.53 H new ATOM 0 HG13 ILE A 87 18.914 48.124 -42.582 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.411 50.518 -45.022 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.282 51.940 -44.400 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.163 50.676 -45.291 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.452 46.972 -44.174 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.555 48.245 -43.312 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.097 48.516 -44.985 1.00 31.30 H new ATOM 1289 N ALA A 88 20.781 52.871 -42.949 1.00 34.53 N ATOM 1290 CA ALA A 88 20.763 54.319 -42.829 1.00 21.21 C ATOM 1291 C ALA A 88 20.360 54.952 -44.155 1.00 23.43 C ATOM 1292 O ALA A 88 21.104 54.901 -45.132 1.00 54.14 O ATOM 1293 CB ALA A 88 22.125 54.834 -42.386 1.00 40.44 C ATOM 0 H ALA A 88 21.562 52.503 -43.492 1.00 34.53 H new ATOM 0 HA ALA A 88 20.029 54.596 -42.073 1.00 21.21 H new ATOM 0 HB1 ALA A 88 22.093 55.920 -42.301 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.380 54.402 -41.418 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.878 54.549 -43.121 1.00 40.44 H new ATOM 1299 N ASN A 89 19.172 55.529 -44.195 1.00 52.24 N ATOM 1300 CA ASN A 89 18.676 56.153 -45.409 1.00 21.13 C ATOM 1301 C ASN A 89 18.503 57.650 -45.207 1.00 22.12 C ATOM 1302 O ASN A 89 17.630 58.091 -44.461 1.00 62.21 O ATOM 1303 CB ASN A 89 17.345 55.531 -45.829 1.00 44.43 C ATOM 1304 CG ASN A 89 16.798 56.130 -47.115 1.00 51.24 C ATOM 1305 OD1 ASN A 89 15.590 56.290 -47.269 1.00 34.21 O ATOM 1306 ND2 ASN A 89 17.676 56.447 -48.055 1.00 52.10 N ATOM 0 H ASN A 89 18.533 55.578 -43.401 1.00 52.24 H new ATOM 0 HA ASN A 89 19.408 55.985 -46.199 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.476 54.457 -45.960 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.616 55.668 -45.030 1.00 44.43 H new ATOM 0 HD21 ASN A 89 17.356 56.838 -48.941 1.00 52.10 H new ATOM 0 HD22 ASN A 89 18.672 56.300 -47.893 1.00 52.10 H new ATOM 1313 N ARG A 90 19.346 58.427 -45.861 1.00 34.23 N ATOM 1314 CA ARG A 90 19.260 59.874 -45.788 1.00 61.53 C ATOM 1315 C ARG A 90 19.598 60.472 -47.143 1.00 14.51 C ATOM 1316 O ARG A 90 20.433 59.928 -47.869 1.00 31.12 O ATOM 1317 CB ARG A 90 20.208 60.415 -44.713 1.00 1.00 C ATOM 1318 CG ARG A 90 20.094 61.915 -44.493 1.00 75.44 C ATOM 1319 CD ARG A 90 21.047 62.397 -43.416 1.00 14.21 C ATOM 1320 NE ARG A 90 22.443 62.104 -43.744 1.00 45.22 N ATOM 1321 CZ ARG A 90 23.488 62.590 -43.075 1.00 45.51 C ATOM 1322 NH1 ARG A 90 23.308 63.468 -42.094 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 24.714 62.220 -43.415 1.00 21.12 N ATOM 0 H ARG A 90 20.101 58.079 -46.451 1.00 34.23 H new ATOM 0 HA ARG A 90 18.243 60.157 -45.516 1.00 61.53 H new ATOM 0 HB2 ARG A 90 20.006 59.903 -43.772 1.00 1.00 H new ATOM 0 HB3 ARG A 90 21.234 60.175 -44.992 1.00 1.00 H new ATOM 0 HG2 ARG A 90 20.305 62.437 -45.426 1.00 75.44 H new ATOM 0 HG3 ARG A 90 19.071 62.165 -44.212 1.00 75.44 H new ATOM 0 HD2 ARG A 90 20.925 63.472 -43.279 1.00 14.21 H new ATOM 0 HD3 ARG A 90 20.791 61.924 -42.468 1.00 14.21 H new ATOM 0 HE ARG A 90 22.628 61.488 -44.536 1.00 45.22 H new ATOM 0 HH11 ARG A 90 22.366 63.773 -41.849 1.00 34.45 H new ATOM 0 HH12 ARG A 90 24.112 63.836 -41.585 1.00 34.45 H new ATOM 0 HH21 ARG A 90 24.854 61.566 -44.185 1.00 21.12 H new ATOM 0 HH22 ARG A 90 25.518 62.589 -42.906 1.00 21.12 H new ATOM 1337 N ASP A 91 18.914 61.562 -47.494 1.00 14.33 N ATOM 1338 CA ASP A 91 19.143 62.258 -48.766 1.00 71.02 C ATOM 1339 C ASP A 91 18.819 61.356 -49.952 1.00 43.52 C ATOM 1340 O ASP A 91 19.272 61.597 -51.072 1.00 61.51 O ATOM 1341 CB ASP A 91 20.593 62.757 -48.860 1.00 34.34 C ATOM 1342 CG ASP A 91 20.811 64.072 -48.138 1.00 2.00 C ATOM 1343 OD1 ASP A 91 21.120 65.078 -48.813 1.00 21.24 O ATOM 1344 OD2 ASP A 91 20.659 64.114 -46.897 1.00 32.31 O1- ATOM 0 H ASP A 91 18.191 61.986 -46.912 1.00 14.33 H new ATOM 0 HA ASP A 91 18.475 63.119 -48.798 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.259 62.003 -48.441 1.00 34.34 H new ATOM 0 HB3 ASP A 91 20.864 62.875 -49.909 1.00 34.34 H new ATOM 1349 N GLY A 92 18.027 60.320 -49.697 1.00 75.32 N ATOM 1350 CA GLY A 92 17.646 59.395 -50.745 1.00 62.34 C ATOM 1351 C GLY A 92 18.677 58.308 -50.959 1.00 52.21 C ATOM 1352 O GLY A 92 18.478 57.408 -51.772 1.00 23.30 O ATOM 0 H GLY A 92 17.641 60.105 -48.778 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.689 58.939 -50.493 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.502 59.944 -51.676 1.00 62.34 H new ATOM 1356 N GLN A 93 19.778 58.380 -50.223 1.00 55.42 N ATOM 1357 CA GLN A 93 20.856 57.416 -50.371 1.00 43.03 C ATOM 1358 C GLN A 93 20.699 56.271 -49.378 1.00 53.23 C ATOM 1359 O GLN A 93 20.535 56.495 -48.175 1.00 62.41 O ATOM 1360 CB GLN A 93 22.213 58.099 -50.161 1.00 32.14 C ATOM 1361 CG GLN A 93 22.498 59.241 -51.129 1.00 62.32 C ATOM 1362 CD GLN A 93 23.119 58.790 -52.443 1.00 5.43 C ATOM 1363 OE1 GLN A 93 23.871 59.536 -53.072 1.00 25.23 O ATOM 1364 NE2 GLN A 93 22.831 57.571 -52.870 1.00 33.20 N ATOM 0 H GLN A 93 19.947 59.097 -49.517 1.00 55.42 H new ATOM 0 HA GLN A 93 20.810 57.011 -51.382 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.259 58.482 -49.142 1.00 32.14 H new ATOM 0 HB3 GLN A 93 23.001 57.352 -50.257 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.567 59.768 -51.339 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.166 59.955 -50.648 1.00 62.32 H new ATOM 0 HE21 GLN A 93 22.205 56.975 -52.328 1.00 33.20 H new ATOM 0 HE22 GLN A 93 23.235 57.227 -53.741 1.00 33.20 H new ATOM 1373 N LEU A 94 20.711 55.051 -49.892 1.00 22.14 N ATOM 1374 CA LEU A 94 20.699 53.864 -49.052 1.00 50.31 C ATOM 1375 C LEU A 94 22.111 53.526 -48.599 1.00 43.43 C ATOM 1376 O LEU A 94 22.930 53.044 -49.384 1.00 52.24 O ATOM 1377 CB LEU A 94 20.089 52.670 -49.797 1.00 41.23 C ATOM 1378 CG LEU A 94 18.587 52.452 -49.596 1.00 41.02 C ATOM 1379 CD1 LEU A 94 18.294 52.136 -48.141 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.794 53.668 -50.053 1.00 42.11 C ATOM 0 H LEU A 94 20.729 54.857 -50.893 1.00 22.14 H new ATOM 0 HA LEU A 94 20.083 54.075 -48.178 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.279 52.796 -50.863 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.612 51.766 -49.485 1.00 41.23 H new ATOM 0 HG LEU A 94 18.278 51.603 -50.206 1.00 41.02 H new ATOM 0 HD11 LEU A 94 17.223 51.983 -48.010 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.828 51.231 -47.851 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.621 52.967 -47.515 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.730 53.487 -49.900 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.101 54.540 -49.476 1.00 42.11 H new ATOM 0 HD23 LEU A 94 17.982 53.848 -51.111 1.00 42.11 H new ATOM 1392 N GLN A 95 22.399 53.809 -47.340 1.00 22.34 N ATOM 1393 CA GLN A 95 23.701 53.514 -46.771 1.00 52.10 C ATOM 1394 C GLN A 95 23.594 52.324 -45.829 1.00 55.53 C ATOM 1395 O GLN A 95 23.069 52.435 -44.719 1.00 20.22 O ATOM 1396 CB GLN A 95 24.256 54.736 -46.036 1.00 54.30 C ATOM 1397 CG GLN A 95 24.346 55.973 -46.915 1.00 4.25 C ATOM 1398 CD GLN A 95 24.962 57.155 -46.202 1.00 5.40 C ATOM 1399 OE1 GLN A 95 24.267 57.955 -45.576 1.00 14.41 O ATOM 1400 NE2 GLN A 95 26.275 57.277 -46.300 1.00 5.31 N ATOM 0 H GLN A 95 21.744 54.245 -46.690 1.00 22.34 H new ATOM 0 HA GLN A 95 24.390 53.264 -47.577 1.00 52.10 H new ATOM 0 HB2 GLN A 95 23.622 54.954 -45.177 1.00 54.30 H new ATOM 0 HB3 GLN A 95 25.247 54.500 -45.649 1.00 54.30 H new ATOM 0 HG2 GLN A 95 24.937 55.741 -47.801 1.00 4.25 H new ATOM 0 HG3 GLN A 95 23.347 56.242 -47.259 1.00 4.25 H new ATOM 0 HE21 GLN A 95 26.813 56.591 -46.829 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.750 58.057 -45.846 1.00 5.31 H new ATOM 1409 N LEU A 96 24.073 51.185 -46.289 1.00 75.11 N ATOM 1410 CA LEU A 96 23.997 49.959 -45.519 1.00 53.33 C ATOM 1411 C LEU A 96 25.227 49.819 -44.630 1.00 12.32 C ATOM 1412 O LEU A 96 26.342 49.638 -45.123 1.00 51.50 O ATOM 1413 CB LEU A 96 23.887 48.757 -46.457 1.00 11.23 C ATOM 1414 CG LEU A 96 23.608 47.420 -45.772 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.238 47.439 -45.116 1.00 12.31 C ATOM 1416 CD2 LEU A 96 23.707 46.276 -46.770 1.00 11.35 C ATOM 0 H LEU A 96 24.522 51.083 -47.199 1.00 75.11 H new ATOM 0 HA LEU A 96 23.110 49.996 -44.887 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.092 48.950 -47.178 1.00 11.23 H new ATOM 0 HB3 LEU A 96 24.815 48.671 -47.022 1.00 11.23 H new ATOM 0 HG LEU A 96 24.360 47.264 -44.999 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.053 46.480 -44.632 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.202 48.234 -44.371 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.474 47.616 -45.873 1.00 12.31 H new ATOM 0 HD21 LEU A 96 23.505 45.332 -46.263 1.00 11.35 H new ATOM 0 HD22 LEU A 96 22.977 46.424 -47.566 1.00 11.35 H new ATOM 0 HD23 LEU A 96 24.710 46.251 -47.197 1.00 11.35 H new ATOM 1428 N ASN A 97 25.025 49.919 -43.327 1.00 24.34 N ATOM 1429 CA ASN A 97 26.118 49.781 -42.380 1.00 24.31 C ATOM 1430 C ASN A 97 26.180 48.354 -41.871 1.00 43.41 C ATOM 1431 O ASN A 97 25.209 47.842 -41.315 1.00 33.42 O ATOM 1432 CB ASN A 97 25.959 50.744 -41.204 1.00 32.34 C ATOM 1433 CG ASN A 97 26.116 52.197 -41.602 1.00 4.11 C ATOM 1434 OD1 ASN A 97 27.225 52.731 -41.619 1.00 11.22 O ATOM 1435 ND2 ASN A 97 25.006 52.855 -41.899 1.00 2.51 N ATOM 0 H ASN A 97 24.115 50.095 -42.901 1.00 24.34 H new ATOM 0 HA ASN A 97 27.046 50.027 -42.896 1.00 24.31 H new ATOM 0 HB2 ASN A 97 24.976 50.600 -40.755 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.697 50.501 -40.440 1.00 32.34 H new ATOM 0 HD21 ASN A 97 25.051 53.842 -42.154 1.00 2.51 H new ATOM 0 HD22 ASN A 97 24.106 52.375 -41.873 1.00 2.51 H new ATOM 1442 N VAL A 98 27.310 47.710 -42.085 1.00 45.14 N ATOM 1443 CA VAL A 98 27.496 46.341 -41.643 1.00 72.02 C ATOM 1444 C VAL A 98 28.778 46.206 -40.828 1.00 15.31 C ATOM 1445 O VAL A 98 29.854 46.630 -41.249 1.00 42.35 O ATOM 1446 CB VAL A 98 27.506 45.357 -42.839 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.619 45.682 -43.824 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.612 43.919 -42.358 1.00 24.02 C ATOM 0 H VAL A 98 28.116 48.113 -42.563 1.00 45.14 H new ATOM 0 HA VAL A 98 26.651 46.082 -41.005 1.00 72.02 H new ATOM 0 HB VAL A 98 26.558 45.473 -43.365 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.594 44.970 -44.649 1.00 50.42 H new ATOM 0 HG12 VAL A 98 28.479 46.691 -44.211 1.00 50.42 H new ATOM 0 HG13 VAL A 98 29.583 45.618 -43.318 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.617 43.248 -43.217 1.00 24.02 H new ATOM 0 HG22 VAL A 98 28.535 43.792 -41.792 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.760 43.685 -41.720 1.00 24.02 H new ATOM 1458 N THR A 99 28.647 45.646 -39.638 1.00 13.53 N ATOM 1459 CA THR A 99 29.791 45.424 -38.773 1.00 63.52 C ATOM 1460 C THR A 99 30.042 43.927 -38.607 1.00 34.14 C ATOM 1461 O THR A 99 29.145 43.181 -38.216 1.00 52.04 O ATOM 1462 CB THR A 99 29.579 46.074 -37.393 1.00 15.12 C ATOM 1463 OG1 THR A 99 29.034 47.392 -37.559 1.00 32.14 O ATOM 1464 CG2 THR A 99 30.893 46.163 -36.629 1.00 64.32 C ATOM 0 H THR A 99 27.757 45.336 -39.248 1.00 13.53 H new ATOM 0 HA THR A 99 30.661 45.887 -39.240 1.00 63.52 H new ATOM 0 HB THR A 99 28.886 45.455 -36.824 1.00 15.12 H new ATOM 0 HG1 THR A 99 28.898 47.803 -36.680 1.00 32.14 H new ATOM 0 HG21 THR A 99 30.718 46.625 -35.658 1.00 64.32 H new ATOM 0 HG22 THR A 99 31.300 45.162 -36.487 1.00 64.32 H new ATOM 0 HG23 THR A 99 31.603 46.766 -37.195 1.00 64.32 H new ATOM 1472 N ASP A 100 31.253 43.499 -38.934 1.00 61.11 N ATOM 1473 CA ASP A 100 31.639 42.094 -38.828 1.00 23.41 C ATOM 1474 C ASP A 100 31.771 41.679 -37.365 1.00 63.40 C ATOM 1475 O ASP A 100 32.107 42.503 -36.513 1.00 62.23 O ATOM 1476 CB ASP A 100 32.964 41.875 -39.560 1.00 14.41 C ATOM 1477 CG ASP A 100 33.411 40.427 -39.562 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.565 40.168 -39.171 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.614 39.543 -39.936 1.00 11.31 O1- ATOM 0 H ASP A 100 31.994 44.110 -39.279 1.00 61.11 H new ATOM 0 HA ASP A 100 30.864 41.479 -39.286 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.865 42.220 -40.589 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.736 42.486 -39.092 1.00 14.41 H new ATOM 1484 N ARG A 101 31.500 40.413 -37.067 1.00 1.22 N ATOM 1485 CA ARG A 101 31.580 39.932 -35.693 1.00 70.42 C ATOM 1486 C ARG A 101 32.929 39.260 -35.427 1.00 41.44 C ATOM 1487 O ARG A 101 33.273 38.977 -34.282 1.00 3.54 O ATOM 1488 CB ARG A 101 30.412 38.975 -35.384 1.00 70.04 C ATOM 1489 CG ARG A 101 30.480 37.623 -36.085 1.00 12.41 C ATOM 1490 CD ARG A 101 31.183 36.574 -35.235 1.00 13.24 C ATOM 1491 NE ARG A 101 30.476 36.316 -33.978 1.00 14.53 N ATOM 1492 CZ ARG A 101 31.015 36.493 -32.770 1.00 32.32 C ATOM 1493 NH1 ARG A 101 32.267 36.916 -32.651 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 30.308 36.234 -31.679 1.00 52.25 N ATOM 0 H ARG A 101 31.226 39.708 -37.751 1.00 1.22 H new ATOM 0 HA ARG A 101 31.499 40.790 -35.025 1.00 70.42 H new ATOM 0 HB2 ARG A 101 30.375 38.807 -34.308 1.00 70.04 H new ATOM 0 HB3 ARG A 101 29.479 39.464 -35.662 1.00 70.04 H new ATOM 0 HG2 ARG A 101 29.470 37.284 -36.317 1.00 12.41 H new ATOM 0 HG3 ARG A 101 31.006 37.733 -37.034 1.00 12.41 H new ATOM 0 HD2 ARG A 101 31.265 35.646 -35.801 1.00 13.24 H new ATOM 0 HD3 ARG A 101 32.198 36.906 -35.017 1.00 13.24 H new ATOM 0 HE ARG A 101 29.514 35.981 -34.029 1.00 14.53 H new ATOM 0 HH11 ARG A 101 32.822 37.107 -33.485 1.00 20.33 H new ATOM 0 HH12 ARG A 101 32.674 37.050 -31.725 1.00 20.33 H new ATOM 0 HH21 ARG A 101 29.348 35.898 -31.761 1.00 52.25 H new ATOM 0 HH22 ARG A 101 30.724 36.371 -30.758 1.00 52.25 H new ATOM 1508 N LYS A 102 33.692 39.011 -36.485 1.00 25.22 N ATOM 1509 CA LYS A 102 34.997 38.364 -36.351 1.00 51.24 C ATOM 1510 C LYS A 102 36.076 39.417 -36.156 1.00 24.03 C ATOM 1511 O LYS A 102 36.731 39.486 -35.114 1.00 61.52 O ATOM 1512 CB LYS A 102 35.332 37.555 -37.605 1.00 63.24 C ATOM 1513 CG LYS A 102 34.146 36.841 -38.218 1.00 64.00 C ATOM 1514 CD LYS A 102 34.475 36.368 -39.623 1.00 42.35 C ATOM 1515 CE LYS A 102 33.242 35.874 -40.351 1.00 32.33 C ATOM 1516 NZ LYS A 102 32.179 36.912 -40.405 1.00 73.14 N1+ ATOM 0 H LYS A 102 33.433 39.245 -37.443 1.00 25.22 H new ATOM 0 HA LYS A 102 34.957 37.697 -35.490 1.00 51.24 H new ATOM 0 HB2 LYS A 102 35.764 38.223 -38.350 1.00 63.24 H new ATOM 0 HB3 LYS A 102 36.096 36.819 -37.355 1.00 63.24 H new ATOM 0 HG2 LYS A 102 33.867 35.989 -37.598 1.00 64.00 H new ATOM 0 HG3 LYS A 102 33.286 37.510 -38.246 1.00 64.00 H new ATOM 0 HD2 LYS A 102 34.927 37.185 -40.186 1.00 42.35 H new ATOM 0 HD3 LYS A 102 35.214 35.568 -39.574 1.00 42.35 H new ATOM 0 HE2 LYS A 102 33.513 35.578 -41.365 1.00 32.33 H new ATOM 0 HE3 LYS A 102 32.857 34.985 -39.851 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 31.531 36.705 -41.192 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 31.648 36.912 -39.511 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 32.613 37.846 -40.550 1.00 73.14 H new ATOM 1530 N THR A 103 36.249 40.233 -37.183 1.00 32.11 N ATOM 1531 CA THR A 103 37.237 41.295 -37.184 1.00 65.25 C ATOM 1532 C THR A 103 36.653 42.552 -36.556 1.00 51.12 C ATOM 1533 O THR A 103 37.278 43.206 -35.719 1.00 72.12 O ATOM 1534 CB THR A 103 37.689 41.617 -38.623 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.544 41.930 -39.432 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.437 40.443 -39.239 1.00 15.44 C ATOM 0 H THR A 103 35.704 40.175 -38.043 1.00 32.11 H new ATOM 0 HA THR A 103 38.097 40.958 -36.605 1.00 65.25 H new ATOM 0 HB THR A 103 38.362 42.474 -38.584 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.033 41.112 -39.606 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.743 40.699 -40.253 1.00 15.44 H new ATOM 0 HG22 THR A 103 39.319 40.218 -38.639 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.785 39.570 -39.266 1.00 15.44 H new ATOM 1544 N GLY A 104 35.431 42.863 -36.963 1.00 65.24 N ATOM 1545 CA GLY A 104 34.750 44.039 -36.477 1.00 42.41 C ATOM 1546 C GLY A 104 34.839 45.195 -37.446 1.00 24.42 C ATOM 1547 O GLY A 104 34.626 46.348 -37.067 1.00 13.23 O ATOM 0 H GLY A 104 34.895 42.310 -37.632 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.702 43.800 -36.295 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.180 44.336 -35.520 1.00 42.41 H new ATOM 1551 N GLN A 105 35.160 44.887 -38.699 1.00 51.35 N ATOM 1552 CA GLN A 105 35.178 45.892 -39.748 1.00 72.04 C ATOM 1553 C GLN A 105 33.803 46.528 -39.893 1.00 12.40 C ATOM 1554 O GLN A 105 32.784 45.836 -39.887 1.00 64.30 O ATOM 1555 CB GLN A 105 35.608 45.282 -41.085 1.00 71.44 C ATOM 1556 CG GLN A 105 37.096 44.990 -41.190 1.00 11.23 C ATOM 1557 CD GLN A 105 37.952 46.248 -41.183 1.00 44.43 C ATOM 1558 OE1 GLN A 105 37.610 47.249 -40.555 1.00 42.45 O ATOM 1559 NE2 GLN A 105 39.054 46.214 -41.911 1.00 23.32 N ATOM 0 H GLN A 105 35.411 43.948 -39.009 1.00 51.35 H new ATOM 0 HA GLN A 105 35.901 46.658 -39.467 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.056 44.355 -41.242 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.326 45.962 -41.889 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.394 44.350 -40.360 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.287 44.432 -42.107 1.00 11.23 H new ATOM 0 HE21 GLN A 105 39.304 45.365 -42.418 1.00 23.32 H new ATOM 0 HE22 GLN A 105 39.654 47.037 -41.966 1.00 23.32 H new ATOM 1568 N THR A 106 33.782 47.843 -40.000 1.00 25.35 N ATOM 1569 CA THR A 106 32.542 48.579 -40.147 1.00 43.25 C ATOM 1570 C THR A 106 32.429 49.132 -41.564 1.00 44.11 C ATOM 1571 O THR A 106 33.076 50.120 -41.907 1.00 33.22 O ATOM 1572 CB THR A 106 32.468 49.734 -39.133 1.00 61.32 C ATOM 1573 OG1 THR A 106 32.818 49.251 -37.826 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.073 50.339 -39.100 1.00 5.13 C ATOM 0 H THR A 106 34.618 48.427 -39.988 1.00 25.35 H new ATOM 0 HA THR A 106 31.714 47.896 -39.957 1.00 43.25 H new ATOM 0 HB THR A 106 33.171 50.509 -39.439 1.00 61.32 H new ATOM 0 HG1 THR A 106 32.772 49.988 -37.182 1.00 1.35 H new ATOM 0 HG21 THR A 106 31.047 51.153 -38.376 1.00 5.13 H new ATOM 0 HG22 THR A 106 30.820 50.724 -40.088 1.00 5.13 H new ATOM 0 HG23 THR A 106 30.351 49.574 -38.813 1.00 5.13 H new ATOM 1582 N SER A 107 31.624 48.478 -42.382 1.00 30.10 N ATOM 1583 CA SER A 107 31.473 48.864 -43.771 1.00 71.15 C ATOM 1584 C SER A 107 30.185 49.653 -43.965 1.00 42.21 C ATOM 1585 O SER A 107 29.108 49.208 -43.566 1.00 53.14 O ATOM 1586 CB SER A 107 31.467 47.617 -44.657 1.00 62.32 C ATOM 1587 OG SER A 107 31.512 47.955 -46.034 1.00 35.01 O ATOM 0 H SER A 107 31.062 47.673 -42.105 1.00 30.10 H new ATOM 0 HA SER A 107 32.313 49.499 -44.054 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.322 46.989 -44.408 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.571 47.030 -44.455 1.00 62.32 H new ATOM 0 HG SER A 107 31.509 47.136 -46.572 1.00 35.01 H new ATOM 1593 N THR A 108 30.304 50.837 -44.542 1.00 61.34 N ATOM 1594 CA THR A 108 29.142 51.633 -44.881 1.00 45.01 C ATOM 1595 C THR A 108 28.958 51.651 -46.395 1.00 51.14 C ATOM 1596 O THR A 108 29.622 52.405 -47.111 1.00 24.12 O ATOM 1597 CB THR A 108 29.263 53.074 -44.346 1.00 51.54 C ATOM 1598 OG1 THR A 108 29.561 53.053 -42.940 1.00 42.23 O ATOM 1599 CG2 THR A 108 27.971 53.846 -44.580 1.00 12.31 C ATOM 0 H THR A 108 31.197 51.267 -44.785 1.00 61.34 H new ATOM 0 HA THR A 108 28.271 51.178 -44.409 1.00 45.01 H new ATOM 0 HB THR A 108 30.071 53.571 -44.883 1.00 51.54 H new ATOM 0 HG1 THR A 108 28.725 53.019 -42.429 1.00 42.23 H new ATOM 0 HG21 THR A 108 28.078 54.860 -44.195 1.00 12.31 H new ATOM 0 HG22 THR A 108 27.758 53.884 -45.648 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.151 53.347 -44.064 1.00 12.31 H new ATOM 1607 N ILE A 109 28.079 50.790 -46.877 1.00 13.34 N ATOM 1608 CA ILE A 109 27.843 50.650 -48.302 1.00 55.11 C ATOM 1609 C ILE A 109 26.832 51.683 -48.781 1.00 14.15 C ATOM 1610 O ILE A 109 25.636 51.565 -48.514 1.00 1.14 O ATOM 1611 CB ILE A 109 27.331 49.235 -48.648 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.298 48.177 -48.107 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.169 49.085 -50.159 1.00 4.42 C ATOM 1614 CD1 ILE A 109 27.814 46.756 -48.302 1.00 12.41 C ATOM 0 H ILE A 109 27.512 50.172 -46.296 1.00 13.34 H new ATOM 0 HA ILE A 109 28.795 50.812 -48.808 1.00 55.11 H new ATOM 0 HB ILE A 109 26.358 49.090 -48.180 1.00 61.20 H new ATOM 0 HG12 ILE A 109 29.263 48.294 -48.599 1.00 73.01 H new ATOM 0 HG13 ILE A 109 28.459 48.354 -47.044 1.00 73.01 H new ATOM 0 HG21 ILE A 109 26.807 48.083 -50.388 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.452 49.821 -50.523 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.131 49.244 -50.646 1.00 4.42 H new ATOM 0 HD11 ILE A 109 28.549 46.062 -47.895 1.00 12.41 H new ATOM 0 HD12 ILE A 109 26.863 46.621 -47.786 1.00 12.41 H new ATOM 0 HD13 ILE A 109 27.680 46.560 -49.366 1.00 12.41 H new ATOM 1626 N GLN A 110 27.316 52.708 -49.466 1.00 42.43 N ATOM 1627 CA GLN A 110 26.440 53.743 -49.989 1.00 3.53 C ATOM 1628 C GLN A 110 26.194 53.530 -51.477 1.00 10.22 C ATOM 1629 O GLN A 110 27.067 53.784 -52.312 1.00 61.10 O ATOM 1630 CB GLN A 110 27.011 55.145 -49.733 1.00 51.25 C ATOM 1631 CG GLN A 110 28.437 55.346 -50.234 1.00 2.41 C ATOM 1632 CD GLN A 110 28.897 56.783 -50.108 1.00 4.14 C ATOM 1633 OE1 GLN A 110 28.730 57.585 -51.029 1.00 23.33 O ATOM 1634 NE2 GLN A 110 29.491 57.119 -48.971 1.00 32.10 N ATOM 0 H GLN A 110 28.306 52.844 -49.672 1.00 42.43 H new ATOM 0 HA GLN A 110 25.489 53.671 -49.462 1.00 3.53 H new ATOM 0 HB2 GLN A 110 26.364 55.880 -50.211 1.00 51.25 H new ATOM 0 HB3 GLN A 110 26.984 55.345 -48.662 1.00 51.25 H new ATOM 0 HG2 GLN A 110 29.111 54.701 -49.671 1.00 2.41 H new ATOM 0 HG3 GLN A 110 28.499 55.038 -51.278 1.00 2.41 H new ATOM 0 HE21 GLN A 110 29.610 56.425 -48.233 1.00 32.10 H new ATOM 0 HE22 GLN A 110 29.829 58.072 -48.834 1.00 32.10 H new ATOM 1643 N VAL A 111 25.010 53.038 -51.804 1.00 22.34 N ATOM 1644 CA VAL A 111 24.647 52.815 -53.193 1.00 74.24 C ATOM 1645 C VAL A 111 24.508 54.153 -53.914 1.00 21.00 C ATOM 1646 O VAL A 111 23.819 55.058 -53.446 1.00 75.11 O ATOM 1647 CB VAL A 111 23.341 51.990 -53.326 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.161 52.705 -52.689 1.00 13.23 C ATOM 1649 CG2 VAL A 111 23.049 51.678 -54.787 1.00 44.35 C ATOM 0 H VAL A 111 24.287 52.787 -51.130 1.00 22.34 H new ATOM 0 HA VAL A 111 25.444 52.234 -53.657 1.00 74.24 H new ATOM 0 HB VAL A 111 23.489 51.052 -52.791 1.00 73.33 H new ATOM 0 HG11 VAL A 111 21.263 52.097 -52.802 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.361 52.864 -51.629 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.011 53.667 -53.179 1.00 13.23 H new ATOM 0 HG21 VAL A 111 22.129 51.099 -54.858 1.00 44.35 H new ATOM 0 HG22 VAL A 111 22.936 52.609 -55.342 1.00 44.35 H new ATOM 0 HG23 VAL A 111 23.874 51.103 -55.208 1.00 44.35 H new ATOM 1659 N SER A 112 25.204 54.294 -55.027 1.00 13.43 N ATOM 1660 CA SER A 112 25.186 55.535 -55.778 1.00 25.44 C ATOM 1661 C SER A 112 24.571 55.316 -57.153 1.00 41.43 C ATOM 1662 O SER A 112 25.006 54.447 -57.910 1.00 54.32 O ATOM 1663 CB SER A 112 26.605 56.088 -55.902 1.00 73.52 C ATOM 1664 OG SER A 112 27.209 56.203 -54.622 1.00 50.04 O ATOM 0 H SER A 112 25.790 53.563 -55.431 1.00 13.43 H new ATOM 0 HA SER A 112 24.573 56.262 -55.245 1.00 25.44 H new ATOM 0 HB2 SER A 112 27.203 55.432 -56.535 1.00 73.52 H new ATOM 0 HB3 SER A 112 26.580 57.064 -56.388 1.00 73.52 H new ATOM 0 HG SER A 112 28.118 56.557 -54.720 1.00 50.04 H new ATOM 1670 N GLY A 113 23.555 56.103 -57.461 1.00 3.12 N ATOM 1671 CA GLY A 113 22.857 55.958 -58.721 1.00 51.54 C ATOM 1672 C GLY A 113 21.577 56.760 -58.752 1.00 51.43 C ATOM 1673 O GLY A 113 20.506 56.238 -59.082 1.00 53.21 O ATOM 0 H GLY A 113 23.198 56.844 -56.858 1.00 3.12 H new ATOM 0 HA2 GLY A 113 23.507 56.280 -59.535 1.00 51.54 H new ATOM 0 HA3 GLY A 113 22.630 54.906 -58.891 1.00 51.54 H new ATOM 1677 N LEU A 114 21.684 58.031 -58.406 1.00 24.32 N ATOM 1678 CA LEU A 114 20.526 58.906 -58.363 1.00 41.32 C ATOM 1679 C LEU A 114 20.649 60.009 -59.407 1.00 21.34 C ATOM 1680 O LEU A 114 21.369 60.990 -59.218 1.00 34.33 O ATOM 1681 CB LEU A 114 20.357 59.512 -56.967 1.00 64.43 C ATOM 1682 CG LEU A 114 20.140 58.503 -55.834 1.00 3.52 C ATOM 1683 CD1 LEU A 114 20.001 59.221 -54.503 1.00 71.24 C ATOM 1684 CD2 LEU A 114 18.914 57.644 -56.103 1.00 25.04 C ATOM 0 H LEU A 114 22.563 58.481 -58.150 1.00 24.32 H new ATOM 0 HA LEU A 114 19.642 58.310 -58.590 1.00 41.32 H new ATOM 0 HB2 LEU A 114 21.242 60.105 -56.738 1.00 64.43 H new ATOM 0 HB3 LEU A 114 19.510 60.198 -56.987 1.00 64.43 H new ATOM 0 HG LEU A 114 21.012 57.850 -55.788 1.00 3.52 H new ATOM 0 HD11 LEU A 114 19.847 58.490 -53.709 1.00 71.24 H new ATOM 0 HD12 LEU A 114 20.908 59.791 -54.301 1.00 71.24 H new ATOM 0 HD13 LEU A 114 19.148 59.898 -54.542 1.00 71.24 H new ATOM 0 HD21 LEU A 114 18.780 56.935 -55.286 1.00 25.04 H new ATOM 0 HD22 LEU A 114 18.033 58.281 -56.179 1.00 25.04 H new ATOM 0 HD23 LEU A 114 19.049 57.099 -57.037 1.00 25.04 H new ATOM 1696 N GLN A 115 19.964 59.814 -60.520 1.00 45.34 N ATOM 1697 CA GLN A 115 19.903 60.809 -61.579 1.00 40.42 C ATOM 1698 C GLN A 115 18.456 61.069 -61.967 1.00 4.04 C ATOM 1699 O GLN A 115 18.087 62.203 -62.276 1.00 53.53 O ATOM 1700 CB GLN A 115 20.691 60.352 -62.810 1.00 34.14 C ATOM 1701 CG GLN A 115 22.199 60.419 -62.639 1.00 25.34 C ATOM 1702 CD GLN A 115 22.947 60.002 -63.893 1.00 62.34 C ATOM 1703 OE1 GLN A 115 22.482 59.155 -64.656 1.00 30.31 O ATOM 1704 NE2 GLN A 115 24.104 60.602 -64.120 1.00 61.02 N ATOM 0 H GLN A 115 19.435 58.964 -60.716 1.00 45.34 H new ATOM 0 HA GLN A 115 20.351 61.729 -61.204 1.00 40.42 H new ATOM 0 HB2 GLN A 115 20.408 59.327 -63.050 1.00 34.14 H new ATOM 0 HB3 GLN A 115 20.405 60.969 -63.662 1.00 34.14 H new ATOM 0 HG2 GLN A 115 22.486 61.436 -62.370 1.00 25.34 H new ATOM 0 HG3 GLN A 115 22.496 59.775 -61.812 1.00 25.34 H new ATOM 0 HE21 GLN A 115 24.455 61.299 -63.463 1.00 61.02 H new ATOM 0 HE22 GLN A 115 24.645 60.368 -64.952 1.00 61.02 H new ATOM 1713 N ASN A 116 17.651 60.001 -61.937 1.00 43.54 N ATOM 1714 CA ASN A 116 16.233 60.047 -62.303 1.00 10.42 C ATOM 1715 C ASN A 116 16.059 60.239 -63.809 1.00 30.14 C ATOM 1716 O ASN A 116 16.646 61.137 -64.416 1.00 42.14 O ATOM 1717 CB ASN A 116 15.486 61.137 -61.523 1.00 13.45 C ATOM 1718 CG ASN A 116 13.994 61.126 -61.794 1.00 41.32 C ATOM 1719 OD1 ASN A 116 13.502 61.825 -62.683 1.00 22.52 O ATOM 1720 ND2 ASN A 116 13.259 60.323 -61.038 1.00 63.44 N ATOM 0 H ASN A 116 17.969 59.074 -61.656 1.00 43.54 H new ATOM 0 HA ASN A 116 15.795 59.087 -62.032 1.00 10.42 H new ATOM 0 HB2 ASN A 116 15.659 60.999 -60.456 1.00 13.45 H new ATOM 0 HB3 ASN A 116 15.893 62.113 -61.788 1.00 13.45 H new ATOM 0 HD21 ASN A 116 12.251 60.268 -61.182 1.00 63.44 H new ATOM 0 HD22 ASN A 116 13.702 59.760 -60.312 1.00 63.44 H new ATOM 1727 N ASN A 117 15.249 59.377 -64.407 1.00 33.24 N ATOM 1728 CA ASN A 117 15.046 59.385 -65.852 1.00 2.33 C ATOM 1729 C ASN A 117 14.040 60.449 -66.273 1.00 51.41 C ATOM 1730 O ASN A 117 14.087 60.932 -67.402 1.00 1.42 O ATOM 1731 CB ASN A 117 14.571 58.011 -66.347 1.00 61.13 C ATOM 1732 CG ASN A 117 13.217 57.600 -65.781 1.00 30.42 C ATOM 1733 OD1 ASN A 117 12.864 57.933 -64.646 1.00 34.24 O ATOM 1734 ND2 ASN A 117 12.442 56.880 -66.575 1.00 5.04 N ATOM 0 H ASN A 117 14.719 58.659 -63.913 1.00 33.24 H new ATOM 0 HA ASN A 117 16.009 59.619 -66.306 1.00 2.33 H new ATOM 0 HB2 ASN A 117 14.513 58.025 -67.435 1.00 61.13 H new ATOM 0 HB3 ASN A 117 15.313 57.259 -66.077 1.00 61.13 H new ATOM 0 HD21 ASN A 117 11.520 56.582 -66.255 1.00 5.04 H new ATOM 0 HD22 ASN A 117 12.766 56.623 -67.507 1.00 5.04 H new ATOM 1741 N SER A 118 13.138 60.808 -65.361 1.00 14.15 N ATOM 1742 CA SER A 118 12.066 61.760 -65.657 1.00 75.22 C ATOM 1743 C SER A 118 11.151 61.207 -66.756 1.00 42.11 C ATOM 1744 O SER A 118 11.204 60.016 -67.070 1.00 3.43 O ATOM 1745 CB SER A 118 12.654 63.118 -66.059 1.00 22.31 C ATOM 1746 OG SER A 118 13.464 63.646 -65.018 1.00 43.44 O ATOM 0 H SER A 118 13.128 60.452 -64.405 1.00 14.15 H new ATOM 0 HA SER A 118 11.466 61.905 -64.759 1.00 75.22 H new ATOM 0 HB2 SER A 118 13.247 63.008 -66.967 1.00 22.31 H new ATOM 0 HB3 SER A 118 11.848 63.815 -66.287 1.00 22.31 H new ATOM 0 HG SER A 118 13.448 63.037 -64.250 1.00 43.44 H new ATOM 1752 N THR A 119 10.296 62.048 -67.320 1.00 1.13 N ATOM 1753 CA THR A 119 9.394 61.600 -68.370 1.00 11.34 C ATOM 1754 C THR A 119 9.705 62.269 -69.704 1.00 73.20 C ATOM 1755 O THR A 119 10.373 61.680 -70.556 1.00 53.00 O ATOM 1756 CB THR A 119 7.917 61.850 -67.999 1.00 14.15 C ATOM 1757 OG1 THR A 119 7.755 63.177 -67.474 1.00 61.21 O ATOM 1758 CG2 THR A 119 7.429 60.832 -66.981 1.00 31.13 C ATOM 0 H THR A 119 10.208 63.033 -67.072 1.00 1.13 H new ATOM 0 HA THR A 119 9.551 60.526 -68.473 1.00 11.34 H new ATOM 0 HB THR A 119 7.320 61.745 -68.905 1.00 14.15 H new ATOM 0 HG1 THR A 119 6.814 63.325 -67.244 1.00 61.21 H new ATOM 0 HG21 THR A 119 6.385 61.032 -66.738 1.00 31.13 H new ATOM 0 HG22 THR A 119 7.519 59.829 -67.398 1.00 31.13 H new ATOM 0 HG23 THR A 119 8.033 60.904 -66.076 1.00 31.13 H new ATOM 1766 N ASP A 120 9.240 63.509 -69.852 1.00 14.24 N ATOM 1767 CA ASP A 120 9.320 64.248 -71.113 1.00 62.41 C ATOM 1768 C ASP A 120 8.524 63.538 -72.197 1.00 11.22 C ATOM 1769 O ASP A 120 9.007 62.602 -72.831 1.00 34.13 O ATOM 1770 CB ASP A 120 10.768 64.455 -71.569 1.00 21.11 C ATOM 1771 CG ASP A 120 10.854 65.219 -72.880 1.00 5.01 C ATOM 1772 OD1 ASP A 120 10.878 66.467 -72.849 1.00 42.22 O ATOM 1773 OD2 ASP A 120 10.902 64.577 -73.951 1.00 22.14 O1- ATOM 0 H ASP A 120 8.795 64.032 -69.098 1.00 14.24 H new ATOM 0 HA ASP A 120 8.888 65.233 -70.938 1.00 62.41 H new ATOM 0 HB2 ASP A 120 11.316 64.997 -70.798 1.00 21.11 H new ATOM 0 HB3 ASP A 120 11.253 63.486 -71.683 1.00 21.11 H new ATOM 1778 N PHE A 121 7.291 63.965 -72.380 1.00 13.21 N ATOM 1779 CA PHE A 121 6.442 63.396 -73.408 1.00 25.12 C ATOM 1780 C PHE A 121 5.774 64.507 -74.203 1.00 43.12 C ATOM 1781 O PHE A 121 5.139 65.398 -73.635 1.00 24.43 O ATOM 1782 CB PHE A 121 5.399 62.442 -72.805 1.00 11.52 C ATOM 1783 CG PHE A 121 4.511 63.058 -71.755 1.00 23.13 C ATOM 1784 CD1 PHE A 121 4.948 63.185 -70.447 1.00 75.24 C ATOM 1785 CD2 PHE A 121 3.232 63.491 -72.075 1.00 41.35 C ATOM 1786 CE1 PHE A 121 4.132 63.738 -69.478 1.00 60.15 C ATOM 1787 CE2 PHE A 121 2.412 64.047 -71.112 1.00 43.42 C ATOM 1788 CZ PHE A 121 2.861 64.167 -69.811 1.00 30.42 C ATOM 0 H PHE A 121 6.854 64.705 -71.830 1.00 13.21 H new ATOM 0 HA PHE A 121 7.064 62.809 -74.084 1.00 25.12 H new ATOM 0 HB2 PHE A 121 4.773 62.056 -73.609 1.00 11.52 H new ATOM 0 HB3 PHE A 121 5.918 61.589 -72.367 1.00 11.52 H new ATOM 0 HD1 PHE A 121 5.939 62.848 -70.181 1.00 75.24 H new ATOM 0 HD2 PHE A 121 2.873 63.392 -73.089 1.00 41.35 H new ATOM 0 HE1 PHE A 121 4.487 63.835 -68.463 1.00 60.15 H new ATOM 0 HE2 PHE A 121 1.422 64.387 -71.376 1.00 43.42 H new ATOM 0 HZ PHE A 121 2.220 64.596 -69.055 1.00 30.42 H new ATOM 1798 N HIS A 122 5.936 64.465 -75.519 1.00 74.33 N ATOM 1799 CA HIS A 122 5.384 65.503 -76.376 1.00 33.51 C ATOM 1800 C HIS A 122 3.940 65.179 -76.752 1.00 61.51 C ATOM 1801 O HIS A 122 3.664 64.260 -77.526 1.00 44.21 O ATOM 1802 CB HIS A 122 6.255 65.724 -77.631 1.00 14.54 C ATOM 1803 CG HIS A 122 6.252 64.596 -78.626 1.00 14.41 C ATOM 1804 ND1 HIS A 122 5.732 64.721 -79.898 1.00 72.31 N ATOM 1805 CD2 HIS A 122 6.713 63.326 -78.536 1.00 55.51 C ATOM 1806 CE1 HIS A 122 5.871 63.577 -80.541 1.00 74.34 C ATOM 1807 NE2 HIS A 122 6.465 62.715 -79.740 1.00 72.12 N ATOM 0 H HIS A 122 6.441 63.729 -76.012 1.00 74.33 H new ATOM 0 HA HIS A 122 5.386 66.437 -75.815 1.00 33.51 H new ATOM 0 HB2 HIS A 122 5.915 66.630 -78.133 1.00 14.54 H new ATOM 0 HB3 HIS A 122 7.282 65.902 -77.313 1.00 14.54 H new ATOM 0 HD2 HIS A 122 7.188 62.877 -77.676 1.00 55.51 H new ATOM 0 HE1 HIS A 122 5.552 63.380 -81.554 1.00 74.34 H new ATOM 0 HE2 HIS A 122 6.702 61.751 -79.976 1.00 72.12 H new ATOM 1816 N HIS A 123 3.017 65.917 -76.166 1.00 41.22 N ATOM 1817 CA HIS A 123 1.614 65.783 -76.511 1.00 40.20 C ATOM 1818 C HIS A 123 1.141 67.073 -77.165 1.00 14.21 C ATOM 1819 O HIS A 123 1.207 68.149 -76.570 1.00 55.44 O ATOM 1820 CB HIS A 123 0.751 65.422 -75.283 1.00 64.15 C ATOM 1821 CG HIS A 123 0.643 66.494 -74.235 1.00 33.35 C ATOM 1822 ND1 HIS A 123 -0.465 67.302 -74.103 1.00 51.31 N ATOM 1823 CD2 HIS A 123 1.499 66.878 -73.259 1.00 23.32 C ATOM 1824 CE1 HIS A 123 -0.286 68.135 -73.098 1.00 62.03 C ATOM 1825 NE2 HIS A 123 0.898 67.899 -72.568 1.00 11.12 N ATOM 0 H HIS A 123 3.213 66.615 -75.449 1.00 41.22 H new ATOM 0 HA HIS A 123 1.501 64.959 -77.215 1.00 40.20 H new ATOM 0 HB2 HIS A 123 -0.252 65.170 -75.626 1.00 64.15 H new ATOM 0 HB3 HIS A 123 1.164 64.525 -74.821 1.00 64.15 H new ATOM 0 HD2 HIS A 123 2.474 66.458 -73.061 1.00 23.32 H new ATOM 0 HE1 HIS A 123 -0.989 68.884 -72.765 1.00 62.03 H new ATOM 0 HE2 HIS A 123 1.301 68.395 -71.773 1.00 11.12 H new ATOM 1834 N HIS A 124 0.716 66.968 -78.408 1.00 75.21 N ATOM 1835 CA HIS A 124 0.322 68.135 -79.171 1.00 61.31 C ATOM 1836 C HIS A 124 -0.749 67.765 -80.185 1.00 45.43 C ATOM 1837 O HIS A 124 -0.717 66.678 -80.758 1.00 72.22 O ATOM 1838 CB HIS A 124 1.545 68.738 -79.874 1.00 55.11 C ATOM 1839 CG HIS A 124 1.238 69.938 -80.717 1.00 30.43 C ATOM 1840 ND1 HIS A 124 0.765 71.121 -80.198 1.00 72.32 N ATOM 1841 CD2 HIS A 124 1.323 70.129 -82.056 1.00 11.23 C ATOM 1842 CE1 HIS A 124 0.571 71.986 -81.176 1.00 60.11 C ATOM 1843 NE2 HIS A 124 0.901 71.408 -82.316 1.00 42.31 N ATOM 0 H HIS A 124 0.635 66.085 -78.912 1.00 75.21 H new ATOM 0 HA HIS A 124 -0.092 68.880 -78.491 1.00 61.31 H new ATOM 0 HB2 HIS A 124 2.283 69.016 -79.121 1.00 55.11 H new ATOM 0 HB3 HIS A 124 2.003 67.974 -80.502 1.00 55.11 H new ATOM 0 HD2 HIS A 124 1.661 69.407 -82.785 1.00 11.23 H new ATOM 0 HE1 HIS A 124 0.204 72.996 -81.063 1.00 60.11 H new ATOM 0 HE2 HIS A 124 0.851 71.841 -83.238 1.00 42.31 H new ATOM 1852 N HIS A 125 -1.699 68.664 -80.383 1.00 33.11 N ATOM 1853 CA HIS A 125 -2.745 68.474 -81.374 1.00 42.42 C ATOM 1854 C HIS A 125 -2.624 69.502 -82.490 1.00 12.25 C ATOM 1855 O HIS A 125 -2.571 70.703 -82.229 1.00 65.23 O ATOM 1856 CB HIS A 125 -4.127 68.599 -80.732 1.00 11.44 C ATOM 1857 CG HIS A 125 -4.851 67.298 -80.562 1.00 60.43 C ATOM 1858 ND1 HIS A 125 -5.763 66.820 -81.478 1.00 71.41 N ATOM 1859 CD2 HIS A 125 -4.814 66.387 -79.562 1.00 3.32 C ATOM 1860 CE1 HIS A 125 -6.256 65.677 -81.049 1.00 54.41 C ATOM 1861 NE2 HIS A 125 -5.698 65.392 -79.890 1.00 54.24 N ATOM 0 H HIS A 125 -1.767 69.540 -79.865 1.00 33.11 H new ATOM 0 HA HIS A 125 -2.627 67.473 -81.789 1.00 42.42 H new ATOM 0 HB2 HIS A 125 -4.019 69.071 -79.755 1.00 11.44 H new ATOM 0 HB3 HIS A 125 -4.739 69.264 -81.342 1.00 11.44 H new ATOM 0 HD1 HIS A 125 -6.017 67.280 -82.352 1.00 71.41 H new ATOM 0 HD2 HIS A 125 -4.203 66.435 -78.673 1.00 3.32 H new ATOM 0 HE1 HIS A 125 -6.993 65.075 -81.560 1.00 54.41 H new ATOM 1870 N HIS A 126 -2.551 69.029 -83.725 1.00 22.41 N ATOM 1871 CA HIS A 126 -2.656 69.913 -84.877 1.00 73.13 C ATOM 1872 C HIS A 126 -4.112 69.955 -85.312 1.00 14.44 C ATOM 1873 O HIS A 126 -4.690 71.021 -85.523 1.00 61.23 O ATOM 1874 CB HIS A 126 -1.765 69.430 -86.029 1.00 23.41 C ATOM 1875 CG HIS A 126 -1.893 70.249 -87.279 1.00 43.53 C ATOM 1876 ND1 HIS A 126 -2.604 69.830 -88.382 1.00 63.22 N ATOM 1877 CD2 HIS A 126 -1.395 71.467 -87.596 1.00 54.42 C ATOM 1878 CE1 HIS A 126 -2.541 70.753 -89.321 1.00 42.22 C ATOM 1879 NE2 HIS A 126 -1.815 71.755 -88.871 1.00 15.42 N ATOM 0 H HIS A 126 -2.420 68.044 -83.955 1.00 22.41 H new ATOM 0 HA HIS A 126 -2.316 70.911 -84.603 1.00 73.13 H new ATOM 0 HB2 HIS A 126 -0.725 69.444 -85.702 1.00 23.41 H new ATOM 0 HB3 HIS A 126 -2.013 68.394 -86.258 1.00 23.41 H new ATOM 0 HD2 HIS A 126 -0.783 72.094 -86.965 1.00 54.42 H new ATOM 0 HE1 HIS A 126 -3.006 70.697 -90.294 1.00 42.22 H new ATOM 0 HE2 HIS A 126 -1.599 72.608 -89.387 1.00 15.42 H new ATOM 1888 N HIS A 127 -4.696 68.774 -85.419 1.00 12.35 N ATOM 1889 CA HIS A 127 -6.108 68.624 -85.714 1.00 31.34 C ATOM 1890 C HIS A 127 -6.567 67.250 -85.238 1.00 12.31 C ATOM 1891 O HIS A 127 -6.627 66.317 -86.066 1.00 54.42 O ATOM 1892 CB HIS A 127 -6.379 68.798 -87.214 1.00 12.42 C ATOM 1893 CG HIS A 127 -7.830 68.694 -87.578 1.00 22.42 C ATOM 1894 ND1 HIS A 127 -8.288 67.893 -88.598 1.00 5.05 N ATOM 1895 CD2 HIS A 127 -8.924 69.301 -87.060 1.00 4.12 C ATOM 1896 CE1 HIS A 127 -9.599 68.009 -88.691 1.00 42.13 C ATOM 1897 NE2 HIS A 127 -10.011 68.858 -87.770 1.00 54.43 N ATOM 1898 OXT HIS A 127 -6.809 67.099 -84.026 1.00 0.00 O1- ATOM 0 H HIS A 127 -4.201 67.890 -85.303 1.00 12.35 H new ATOM 0 HA HIS A 127 -6.669 69.398 -85.191 1.00 31.34 H new ATOM 0 HB2 HIS A 127 -6.002 69.770 -87.532 1.00 12.42 H new ATOM 0 HB3 HIS A 127 -5.820 68.043 -87.766 1.00 12.42 H new ATOM 0 HD2 HIS A 127 -8.938 70.004 -86.240 1.00 4.12 H new ATOM 0 HE1 HIS A 127 -10.229 67.495 -89.402 1.00 42.13 H new ATOM 0 HE2 HIS A 127 -10.979 69.139 -87.612 1.00 54.43 H new TER 1907 HIS A 127