USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=33 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 103 THR OG1 : rot -4:sc= 1.92 USER MOD Set 1.2: A 105 GLN : amide:sc= 1.04 K(o=3,f=0.98) USER MOD Set 2.1: A 97 ASN : amide:sc= 0.641 K(o=1.4,f=-0.66) USER MOD Set 2.2: A 108 THR OG1 : rot -38:sc= 0.714 USER MOD Set 3.1: A 83 TYR OH : rot 150:sc= 0.0609 USER MOD Set 3.2: A 102 LYS NZ :NH3+ 141:sc= 0.0551 (180deg=0) USER MOD Set 4.1: A 78 MET CE :methyl -111:sc= -0.334 (180deg=-0.66) USER MOD Set 4.2: A 80 THR OG1 : rot 81:sc= 0.0299 USER MOD Set 5.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 59 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0235) 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= -0.016 USER MOD Single : A 8 GLN : amide:sc= 1.32 K(o=1.3,f=-5.5!) USER MOD Single : A 11 ASN : amide:sc= 1.16 K(o=1.2,f=-0.14) USER MOD Single : A 13 ASN :FLIP amide:sc= 0.334 F(o=-0.27,f=0.33) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= 0.778 K(o=0.78,f=-9.7!) USER MOD Single : A 26 ASN : amide:sc= 0.0757 K(o=0.076,f=-5!) 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) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= 0.0961 K(o=0.096,f=-0.83) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0.995 (180deg=0.525) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.98) 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= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.63) USER MOD Single : A 60 SER OG : rot 70:sc= 0.161 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.0244 F(o=-1,f=-0.024) USER MOD Single : A 68 SER OG : rot 75:sc= 0.18 USER MOD Single : A 69 ASN : amide:sc=-0.00596 K(o=-0.006,f=-1.3) USER MOD Single : A 71 ASN : amide:sc= 0.264 K(o=0.26,f=-0.93) USER MOD Single : A 72 THR OG1 : rot 0:sc= 1.1 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.374 K(o=-0.37,f=-1.8!) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.68 F(o=-2.3,f=-0.68) USER MOD Single : A 93 GLN :FLIP amide:sc=-0.00754 F(o=-2.8!,f=-0.0075) USER MOD Single : A 95 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.83) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 44:sc= 0.0305 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc=-0.00987 K(o=-0.0099,f=-1) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 116 ASN :FLIP amide:sc= -0.0244 F(o=-1,f=-0.024) USER MOD Single : A 117 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 14:sc= 0.85 USER MOD Single : A 122 HIS : no HE2:sc= 0.851 K(o=0.85,f=-5.3!) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.0945 K(o=-0.094,f=-0.76) USER MOD Single : A 125 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-1) USER MOD Single : A 126 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.24) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -38.978 66.101 -51.174 1.00 0.00 N ATOM 2 CA MET A 1 -38.581 64.904 -51.946 1.00 52.33 C ATOM 3 C MET A 1 -38.005 65.315 -53.290 1.00 71.33 C ATOM 4 O MET A 1 -38.755 65.577 -54.236 1.00 1.24 O ATOM 5 CB MET A 1 -39.777 63.977 -52.179 1.00 2.44 C ATOM 6 CG MET A 1 -40.366 63.390 -50.912 1.00 75.50 C ATOM 7 SD MET A 1 -41.713 62.243 -51.250 1.00 21.34 S ATOM 8 CE MET A 1 -42.171 61.763 -49.586 1.00 13.04 C ATOM 0 H1 MET A 1 -39.275 65.815 -50.219 1.00 0.00 H new ATOM 0 H2 MET A 1 -38.171 66.753 -51.105 1.00 0.00 H new ATOM 0 H3 MET A 1 -39.768 66.578 -51.654 1.00 0.00 H new ATOM 0 HA MET A 1 -37.827 64.370 -51.367 1.00 52.33 H new ATOM 0 HB2 MET A 1 -40.555 64.531 -52.705 1.00 2.44 H new ATOM 0 HB3 MET A 1 -39.468 63.162 -52.834 1.00 2.44 H new ATOM 0 HG2 MET A 1 -39.584 62.874 -50.356 1.00 75.50 H new ATOM 0 HG3 MET A 1 -40.730 64.197 -50.276 1.00 75.50 H new ATOM 0 HE1 MET A 1 -42.996 61.052 -49.627 1.00 13.04 H new ATOM 0 HE2 MET A 1 -41.317 61.300 -49.093 1.00 13.04 H new ATOM 0 HE3 MET A 1 -42.479 62.645 -49.025 1.00 13.04 H new ATOM 20 N ALA A 2 -36.677 65.389 -53.359 1.00 12.30 N ATOM 21 CA ALA A 2 -35.977 65.771 -54.584 1.00 21.34 C ATOM 22 C ALA A 2 -36.410 67.159 -55.052 1.00 14.20 C ATOM 23 O ALA A 2 -36.939 67.955 -54.270 1.00 72.13 O ATOM 24 CB ALA A 2 -36.216 64.733 -55.676 1.00 74.23 C ATOM 0 H ALA A 2 -36.059 65.187 -52.573 1.00 12.30 H new ATOM 0 HA ALA A 2 -34.909 65.809 -54.370 1.00 21.34 H new ATOM 0 HB1 ALA A 2 -35.689 65.030 -56.582 1.00 74.23 H new ATOM 0 HB2 ALA A 2 -35.847 63.763 -55.343 1.00 74.23 H new ATOM 0 HB3 ALA A 2 -37.284 64.663 -55.884 1.00 74.23 H new ATOM 30 N GLY A 3 -36.161 67.458 -56.320 1.00 50.23 N ATOM 31 CA GLY A 3 -36.586 68.723 -56.881 1.00 65.14 C ATOM 32 C GLY A 3 -35.499 69.772 -56.836 1.00 23.21 C ATOM 33 O GLY A 3 -35.613 70.813 -57.481 1.00 32.24 O ATOM 0 H GLY A 3 -35.671 66.844 -56.971 1.00 50.23 H new ATOM 0 HA2 GLY A 3 -36.898 68.572 -57.915 1.00 65.14 H new ATOM 0 HA3 GLY A 3 -37.457 69.084 -56.335 1.00 65.14 H new ATOM 37 N THR A 4 -34.438 69.481 -56.090 1.00 43.32 N ATOM 38 CA THR A 4 -33.318 70.399 -55.932 1.00 31.21 C ATOM 39 C THR A 4 -33.784 71.735 -55.347 1.00 2.41 C ATOM 40 O THR A 4 -34.055 72.698 -56.071 1.00 63.23 O ATOM 41 CB THR A 4 -32.591 70.635 -57.272 1.00 4.31 C ATOM 42 OG1 THR A 4 -32.339 69.372 -57.910 1.00 72.25 O ATOM 43 CG2 THR A 4 -31.273 71.370 -57.057 1.00 71.44 C ATOM 0 H THR A 4 -34.331 68.604 -55.580 1.00 43.32 H new ATOM 0 HA THR A 4 -32.616 69.938 -55.238 1.00 31.21 H new ATOM 0 HB THR A 4 -33.229 71.251 -57.906 1.00 4.31 H new ATOM 0 HG1 THR A 4 -31.879 69.522 -58.762 1.00 72.25 H new ATOM 0 HG21 THR A 4 -30.781 71.523 -58.018 1.00 71.44 H new ATOM 0 HG22 THR A 4 -31.467 72.336 -56.590 1.00 71.44 H new ATOM 0 HG23 THR A 4 -30.627 70.777 -56.409 1.00 71.44 H new ATOM 51 N MET A 5 -33.904 71.773 -54.028 1.00 11.31 N ATOM 52 CA MET A 5 -34.394 72.956 -53.342 1.00 75.43 C ATOM 53 C MET A 5 -33.231 73.857 -52.939 1.00 15.13 C ATOM 54 O MET A 5 -32.115 73.381 -52.727 1.00 24.32 O ATOM 55 CB MET A 5 -35.215 72.545 -52.113 1.00 22.24 C ATOM 56 CG MET A 5 -35.757 73.714 -51.305 1.00 23.44 C ATOM 57 SD MET A 5 -36.688 74.887 -52.314 1.00 11.43 S ATOM 58 CE MET A 5 -37.161 76.087 -51.072 1.00 45.42 C ATOM 0 H MET A 5 -33.668 70.995 -53.412 1.00 11.31 H new ATOM 0 HA MET A 5 -35.038 73.517 -54.019 1.00 75.43 H new ATOM 0 HB2 MET A 5 -36.050 71.925 -52.439 1.00 22.24 H new ATOM 0 HB3 MET A 5 -34.593 71.927 -51.465 1.00 22.24 H new ATOM 0 HG2 MET A 5 -36.400 73.334 -50.511 1.00 23.44 H new ATOM 0 HG3 MET A 5 -34.928 74.233 -50.824 1.00 23.44 H new ATOM 0 HE1 MET A 5 -37.745 76.881 -51.537 1.00 45.42 H new ATOM 0 HE2 MET A 5 -37.760 75.598 -50.303 1.00 45.42 H new ATOM 0 HE3 MET A 5 -36.266 76.513 -50.618 1.00 45.42 H new ATOM 68 N THR A 6 -33.506 75.157 -52.857 1.00 41.42 N ATOM 69 CA THR A 6 -32.512 76.148 -52.464 1.00 43.12 C ATOM 70 C THR A 6 -31.434 76.303 -53.539 1.00 64.43 C ATOM 71 O THR A 6 -30.493 75.512 -53.614 1.00 60.42 O ATOM 72 CB THR A 6 -31.854 75.786 -51.111 1.00 74.21 C ATOM 73 OG1 THR A 6 -32.865 75.520 -50.123 1.00 54.11 O ATOM 74 CG2 THR A 6 -30.951 76.912 -50.624 1.00 62.12 C ATOM 0 H THR A 6 -34.424 75.551 -53.061 1.00 41.42 H new ATOM 0 HA THR A 6 -33.035 77.097 -52.350 1.00 43.12 H new ATOM 0 HB THR A 6 -31.247 74.893 -51.261 1.00 74.21 H new ATOM 0 HG1 THR A 6 -32.438 75.290 -49.271 1.00 54.11 H new ATOM 0 HG21 THR A 6 -30.501 76.632 -49.671 1.00 62.12 H new ATOM 0 HG22 THR A 6 -30.165 77.091 -51.358 1.00 62.12 H new ATOM 0 HG23 THR A 6 -31.540 77.820 -50.494 1.00 62.12 H new ATOM 82 N PHE A 7 -31.595 77.310 -54.387 1.00 42.33 N ATOM 83 CA PHE A 7 -30.604 77.596 -55.416 1.00 74.33 C ATOM 84 C PHE A 7 -29.318 78.098 -54.773 1.00 63.13 C ATOM 85 O PHE A 7 -29.291 79.170 -54.166 1.00 64.35 O ATOM 86 CB PHE A 7 -31.134 78.626 -56.417 1.00 24.13 C ATOM 87 CG PHE A 7 -32.271 78.125 -57.266 1.00 71.12 C ATOM 88 CD1 PHE A 7 -32.024 77.444 -58.445 1.00 75.04 C ATOM 89 CD2 PHE A 7 -33.587 78.342 -56.887 1.00 54.44 C ATOM 90 CE1 PHE A 7 -33.065 76.988 -59.231 1.00 24.44 C ATOM 91 CE2 PHE A 7 -34.633 77.888 -57.669 1.00 13.11 C ATOM 92 CZ PHE A 7 -34.372 77.210 -58.841 1.00 63.23 C ATOM 0 H PHE A 7 -32.398 77.939 -54.383 1.00 42.33 H new ATOM 0 HA PHE A 7 -30.396 76.674 -55.959 1.00 74.33 H new ATOM 0 HB2 PHE A 7 -31.463 79.511 -55.872 1.00 24.13 H new ATOM 0 HB3 PHE A 7 -30.318 78.938 -57.068 1.00 24.13 H new ATOM 0 HD1 PHE A 7 -31.005 77.267 -58.755 1.00 75.04 H new ATOM 0 HD2 PHE A 7 -33.798 78.872 -55.970 1.00 54.44 H new ATOM 0 HE1 PHE A 7 -32.857 76.459 -60.149 1.00 24.44 H new ATOM 0 HE2 PHE A 7 -35.653 78.064 -57.362 1.00 13.11 H new ATOM 0 HZ PHE A 7 -35.187 76.853 -59.453 1.00 63.23 H new ATOM 102 N GLN A 8 -28.259 77.314 -54.905 1.00 31.11 N ATOM 103 CA GLN A 8 -26.990 77.626 -54.263 1.00 22.32 C ATOM 104 C GLN A 8 -26.183 78.580 -55.140 1.00 73.41 C ATOM 105 O GLN A 8 -25.469 79.446 -54.636 1.00 70.13 O ATOM 106 CB GLN A 8 -26.221 76.327 -53.996 1.00 44.31 C ATOM 107 CG GLN A 8 -25.336 76.368 -52.759 1.00 2.34 C ATOM 108 CD GLN A 8 -24.023 77.092 -52.979 1.00 35.43 C ATOM 109 OE1 GLN A 8 -23.482 77.099 -54.083 1.00 50.31 O ATOM 110 NE2 GLN A 8 -23.499 77.704 -51.931 1.00 14.45 N ATOM 0 H GLN A 8 -28.253 76.454 -55.453 1.00 31.11 H new ATOM 0 HA GLN A 8 -27.170 78.121 -53.309 1.00 22.32 H new ATOM 0 HB2 GLN A 8 -26.935 75.510 -53.891 1.00 44.31 H new ATOM 0 HB3 GLN A 8 -25.602 76.099 -54.864 1.00 44.31 H new ATOM 0 HG2 GLN A 8 -25.879 76.855 -51.949 1.00 2.34 H new ATOM 0 HG3 GLN A 8 -25.130 75.348 -52.436 1.00 2.34 H new ATOM 0 HE21 GLN A 8 -23.979 77.675 -51.031 1.00 14.45 H new ATOM 0 HE22 GLN A 8 -22.615 78.205 -52.022 1.00 14.45 H new ATOM 119 N PHE A 9 -26.311 78.404 -56.457 1.00 73.24 N ATOM 120 CA PHE A 9 -25.715 79.305 -57.450 1.00 4.13 C ATOM 121 C PHE A 9 -24.198 79.443 -57.252 1.00 32.53 C ATOM 122 O PHE A 9 -23.612 80.478 -57.568 1.00 20.24 O ATOM 123 CB PHE A 9 -26.404 80.680 -57.390 1.00 55.13 C ATOM 124 CG PHE A 9 -26.174 81.535 -58.608 1.00 3.12 C ATOM 125 CD1 PHE A 9 -25.484 82.731 -58.511 1.00 54.02 C ATOM 126 CD2 PHE A 9 -26.651 81.141 -59.846 1.00 53.11 C ATOM 127 CE1 PHE A 9 -25.271 83.517 -59.626 1.00 4.52 C ATOM 128 CE2 PHE A 9 -26.443 81.923 -60.967 1.00 31.40 C ATOM 129 CZ PHE A 9 -25.751 83.114 -60.856 1.00 63.11 C ATOM 0 H PHE A 9 -26.833 77.630 -56.868 1.00 73.24 H new ATOM 0 HA PHE A 9 -25.872 78.873 -58.438 1.00 4.13 H new ATOM 0 HB2 PHE A 9 -27.476 80.532 -57.260 1.00 55.13 H new ATOM 0 HB3 PHE A 9 -26.047 81.216 -56.510 1.00 55.13 H new ATOM 0 HD1 PHE A 9 -25.108 83.053 -57.551 1.00 54.02 H new ATOM 0 HD2 PHE A 9 -27.192 80.211 -59.938 1.00 53.11 H new ATOM 0 HE1 PHE A 9 -24.729 84.447 -59.536 1.00 4.52 H new ATOM 0 HE2 PHE A 9 -26.820 81.604 -61.927 1.00 31.40 H new ATOM 0 HZ PHE A 9 -25.586 83.728 -61.729 1.00 63.11 H new ATOM 139 N ARG A 10 -23.569 78.381 -56.750 1.00 62.51 N ATOM 140 CA ARG A 10 -22.124 78.360 -56.521 1.00 44.32 C ATOM 141 C ARG A 10 -21.651 79.543 -55.678 1.00 21.34 C ATOM 142 O ARG A 10 -20.763 80.298 -56.079 1.00 35.21 O ATOM 143 CB ARG A 10 -21.360 78.316 -57.844 1.00 21.20 C ATOM 144 CG ARG A 10 -21.102 76.905 -58.335 1.00 72.03 C ATOM 145 CD ARG A 10 -20.307 76.895 -59.626 1.00 53.43 C ATOM 146 NE ARG A 10 -19.693 75.592 -59.869 1.00 61.25 N ATOM 147 CZ ARG A 10 -19.559 75.036 -61.067 1.00 52.03 C ATOM 148 NH1 ARG A 10 -20.094 75.610 -62.141 1.00 11.40 N1+ ATOM 149 NH2 ARG A 10 -18.904 73.886 -61.178 1.00 60.33 N ATOM 0 H ARG A 10 -24.043 77.516 -56.492 1.00 62.51 H new ATOM 0 HA ARG A 10 -21.911 77.451 -55.958 1.00 44.32 H new ATOM 0 HB2 ARG A 10 -21.925 78.860 -58.601 1.00 21.20 H new ATOM 0 HB3 ARG A 10 -20.408 78.832 -57.724 1.00 21.20 H new ATOM 0 HG2 ARG A 10 -20.561 76.347 -57.571 1.00 72.03 H new ATOM 0 HG3 ARG A 10 -22.052 76.394 -58.489 1.00 72.03 H new ATOM 0 HD2 ARG A 10 -20.962 77.150 -60.459 1.00 53.43 H new ATOM 0 HD3 ARG A 10 -19.532 77.661 -59.583 1.00 53.43 H new ATOM 0 HE ARG A 10 -19.343 75.074 -59.063 1.00 61.25 H new ATOM 0 HH11 ARG A 10 -20.612 76.484 -62.048 1.00 11.40 H new ATOM 0 HH12 ARG A 10 -19.986 75.176 -63.058 1.00 11.40 H new ATOM 0 HH21 ARG A 10 -18.511 73.441 -60.349 1.00 60.33 H new ATOM 0 HH22 ARG A 10 -18.794 73.448 -62.093 1.00 60.33 H new ATOM 163 N ASN A 11 -22.254 79.701 -54.513 1.00 4.11 N ATOM 164 CA ASN A 11 -21.799 80.693 -53.551 1.00 44.33 C ATOM 165 C ASN A 11 -20.823 80.042 -52.581 1.00 62.55 C ATOM 166 O ASN A 11 -20.975 78.866 -52.250 1.00 3.33 O ATOM 167 CB ASN A 11 -22.979 81.307 -52.793 1.00 42.41 C ATOM 168 CG ASN A 11 -23.689 82.385 -53.589 1.00 62.50 C ATOM 169 OD1 ASN A 11 -23.311 83.557 -53.542 1.00 63.14 O ATOM 170 ND2 ASN A 11 -24.730 82.009 -54.310 1.00 43.24 N ATOM 0 H ASN A 11 -23.060 79.156 -54.209 1.00 4.11 H new ATOM 0 HA ASN A 11 -21.296 81.498 -54.086 1.00 44.33 H new ATOM 0 HB2 ASN A 11 -23.690 80.521 -52.538 1.00 42.41 H new ATOM 0 HB3 ASN A 11 -22.622 81.730 -51.854 1.00 42.41 H new ATOM 0 HD21 ASN A 11 -25.250 82.698 -54.852 1.00 43.24 H new ATOM 0 HD22 ASN A 11 -25.013 81.029 -54.324 1.00 43.24 H new ATOM 177 N PRO A 12 -19.805 80.789 -52.126 1.00 71.33 N ATOM 178 CA PRO A 12 -18.754 80.248 -51.257 1.00 34.14 C ATOM 179 C PRO A 12 -19.303 79.699 -49.945 1.00 51.42 C ATOM 180 O PRO A 12 -18.813 78.690 -49.445 1.00 63.23 O ATOM 181 CB PRO A 12 -17.841 81.453 -50.989 1.00 5.44 C ATOM 182 CG PRO A 12 -18.150 82.428 -52.071 1.00 13.40 C ATOM 183 CD PRO A 12 -19.595 82.216 -52.420 1.00 22.12 C ATOM 0 HA PRO A 12 -18.243 79.407 -51.726 1.00 34.14 H new ATOM 0 HB2 PRO A 12 -18.034 81.882 -50.006 1.00 5.44 H new ATOM 0 HB3 PRO A 12 -16.791 81.163 -51.009 1.00 5.44 H new ATOM 0 HG2 PRO A 12 -17.976 83.451 -51.736 1.00 13.40 H new ATOM 0 HG3 PRO A 12 -17.511 82.263 -52.939 1.00 13.40 H new ATOM 0 HD2 PRO A 12 -20.251 82.851 -51.824 1.00 22.12 H new ATOM 0 HD3 PRO A 12 -19.794 82.445 -53.467 1.00 22.12 H new ATOM 191 N ASN A 13 -20.322 80.381 -49.414 1.00 41.30 N ATOM 192 CA ASN A 13 -20.958 80.044 -48.129 1.00 75.43 C ATOM 193 C ASN A 13 -19.965 80.210 -46.973 1.00 53.44 C ATOM 194 O ASN A 13 -18.748 80.138 -47.159 1.00 60.03 O ATOM 195 CB ASN A 13 -21.573 78.623 -48.144 1.00 5.35 C ATOM 196 CG ASN A 13 -20.813 77.597 -47.310 1.00 12.51 C ATOM 197 OD1 ASN A 13 -21.231 77.416 -46.065 1.00 74.54 O flip ATOM 198 ND2 ASN A 13 -19.890 76.941 -47.790 1.00 31.22 N flip ATOM 0 H ASN A 13 -20.737 81.195 -49.868 1.00 41.30 H new ATOM 0 HA ASN A 13 -21.780 80.743 -47.975 1.00 75.43 H new ATOM 0 HB2 ASN A 13 -22.599 78.681 -47.780 1.00 5.35 H new ATOM 0 HB3 ASN A 13 -21.620 78.272 -49.175 1.00 5.35 H new ATOM 0 HD21 ASN A 13 -19.593 77.106 -48.752 1.00 31.22 H new ATOM 0 HD22 ASN A 13 -19.421 76.232 -47.226 1.00 31.22 H new ATOM 205 N PHE A 14 -20.476 80.465 -45.781 1.00 62.35 N ATOM 206 CA PHE A 14 -19.616 80.677 -44.631 1.00 0.14 C ATOM 207 C PHE A 14 -19.946 79.683 -43.526 1.00 75.23 C ATOM 208 O PHE A 14 -21.115 79.406 -43.252 1.00 23.43 O ATOM 209 CB PHE A 14 -19.758 82.114 -44.123 1.00 41.22 C ATOM 210 CG PHE A 14 -18.743 82.487 -43.080 1.00 21.33 C ATOM 211 CD1 PHE A 14 -19.081 82.506 -41.736 1.00 5.43 C ATOM 212 CD2 PHE A 14 -17.446 82.818 -43.447 1.00 23.12 C ATOM 213 CE1 PHE A 14 -18.144 82.845 -40.780 1.00 32.32 C ATOM 214 CE2 PHE A 14 -16.507 83.159 -42.494 1.00 54.41 C ATOM 215 CZ PHE A 14 -16.856 83.172 -41.158 1.00 3.14 C ATOM 0 H PHE A 14 -21.475 80.530 -45.585 1.00 62.35 H new ATOM 0 HA PHE A 14 -18.582 80.517 -44.935 1.00 0.14 H new ATOM 0 HB2 PHE A 14 -19.669 82.799 -44.966 1.00 41.22 H new ATOM 0 HB3 PHE A 14 -20.758 82.247 -43.709 1.00 41.22 H new ATOM 0 HD1 PHE A 14 -20.087 82.253 -41.434 1.00 5.43 H new ATOM 0 HD2 PHE A 14 -17.168 82.809 -44.491 1.00 23.12 H new ATOM 0 HE1 PHE A 14 -18.418 82.855 -39.735 1.00 32.32 H new ATOM 0 HE2 PHE A 14 -15.501 83.415 -42.793 1.00 54.41 H new ATOM 0 HZ PHE A 14 -16.123 83.437 -40.410 1.00 3.14 H new ATOM 225 N GLY A 15 -18.908 79.136 -42.913 1.00 54.15 N ATOM 226 CA GLY A 15 -19.089 78.206 -41.825 1.00 71.23 C ATOM 227 C GLY A 15 -18.320 78.628 -40.596 1.00 65.22 C ATOM 228 O GLY A 15 -17.136 78.960 -40.685 1.00 42.44 O ATOM 0 H GLY A 15 -17.935 79.324 -43.155 1.00 54.15 H new ATOM 0 HA2 GLY A 15 -20.149 78.131 -41.583 1.00 71.23 H new ATOM 0 HA3 GLY A 15 -18.762 77.214 -42.136 1.00 71.23 H new ATOM 232 N GLY A 16 -18.991 78.626 -39.456 1.00 14.53 N ATOM 233 CA GLY A 16 -18.354 79.026 -38.220 1.00 0.24 C ATOM 234 C GLY A 16 -17.583 77.893 -37.583 1.00 22.35 C ATOM 235 O GLY A 16 -17.864 76.720 -37.840 1.00 73.33 O ATOM 0 H GLY A 16 -19.970 78.353 -39.364 1.00 14.53 H new ATOM 0 HA2 GLY A 16 -17.678 79.859 -38.414 1.00 0.24 H new ATOM 0 HA3 GLY A 16 -19.111 79.385 -37.523 1.00 0.24 H new ATOM 239 N ASN A 17 -16.618 78.235 -36.748 1.00 43.33 N ATOM 240 CA ASN A 17 -15.776 77.237 -36.108 1.00 1.12 C ATOM 241 C ASN A 17 -16.026 77.221 -34.610 1.00 62.33 C ATOM 242 O ASN A 17 -16.414 78.237 -34.030 1.00 61.32 O ATOM 243 CB ASN A 17 -14.295 77.516 -36.384 1.00 21.55 C ATOM 244 CG ASN A 17 -13.948 77.408 -37.855 1.00 72.14 C ATOM 245 OD1 ASN A 17 -13.628 76.327 -38.352 1.00 51.22 O ATOM 246 ND2 ASN A 17 -13.993 78.527 -38.557 1.00 0.34 N ATOM 0 H ASN A 17 -16.397 79.198 -36.496 1.00 43.33 H new ATOM 0 HA ASN A 17 -16.029 76.262 -36.524 1.00 1.12 H new ATOM 0 HB2 ASN A 17 -14.044 78.515 -36.027 1.00 21.55 H new ATOM 0 HB3 ASN A 17 -13.685 76.813 -35.818 1.00 21.55 H new ATOM 0 HD21 ASN A 17 -13.757 78.516 -39.549 1.00 0.34 H new ATOM 0 HD22 ASN A 17 -14.263 79.401 -38.106 1.00 0.34 H new ATOM 253 N PRO A 18 -15.833 76.061 -33.965 1.00 24.35 N ATOM 254 CA PRO A 18 -15.950 75.935 -32.509 1.00 21.23 C ATOM 255 C PRO A 18 -14.845 76.696 -31.780 1.00 14.44 C ATOM 256 O PRO A 18 -14.965 76.982 -30.585 1.00 61.41 O ATOM 257 CB PRO A 18 -15.817 74.425 -32.258 1.00 45.30 C ATOM 258 CG PRO A 18 -16.020 73.782 -33.589 1.00 32.23 C ATOM 259 CD PRO A 18 -15.518 74.771 -34.598 1.00 15.21 C ATOM 0 HA PRO A 18 -16.886 76.354 -32.139 1.00 21.23 H new ATOM 0 HB2 PRO A 18 -14.837 74.180 -31.849 1.00 45.30 H new ATOM 0 HB3 PRO A 18 -16.559 74.080 -31.538 1.00 45.30 H new ATOM 0 HG2 PRO A 18 -15.473 72.842 -33.657 1.00 32.23 H new ATOM 0 HG3 PRO A 18 -17.072 73.552 -33.756 1.00 32.23 H new ATOM 0 HD2 PRO A 18 -14.449 74.658 -34.779 1.00 15.21 H new ATOM 0 HD3 PRO A 18 -16.018 74.658 -35.560 1.00 15.21 H new ATOM 267 N ASN A 19 -13.765 76.988 -32.516 1.00 23.42 N ATOM 268 CA ASN A 19 -12.613 77.749 -32.016 1.00 64.52 C ATOM 269 C ASN A 19 -11.799 76.908 -31.036 1.00 63.24 C ATOM 270 O ASN A 19 -10.630 76.617 -31.273 1.00 74.52 O ATOM 271 CB ASN A 19 -13.050 79.068 -31.359 1.00 34.52 C ATOM 272 CG ASN A 19 -11.882 80.002 -31.088 1.00 65.20 C ATOM 273 OD1 ASN A 19 -11.512 80.813 -31.940 1.00 30.24 O ATOM 274 ND2 ASN A 19 -11.300 79.906 -29.901 1.00 44.43 N ATOM 0 H ASN A 19 -13.666 76.698 -33.489 1.00 23.42 H new ATOM 0 HA ASN A 19 -11.984 77.997 -32.871 1.00 64.52 H new ATOM 0 HB2 ASN A 19 -13.770 79.570 -32.005 1.00 34.52 H new ATOM 0 HB3 ASN A 19 -13.561 78.850 -30.421 1.00 34.52 H new ATOM 0 HD21 ASN A 19 -10.517 80.516 -29.666 1.00 44.43 H new ATOM 0 HD22 ASN A 19 -11.635 79.222 -29.223 1.00 44.43 H new ATOM 281 N ASN A 20 -12.430 76.523 -29.943 1.00 0.34 N ATOM 282 CA ASN A 20 -11.819 75.632 -28.972 1.00 2.02 C ATOM 283 C ASN A 20 -12.639 74.348 -28.861 1.00 40.34 C ATOM 284 O ASN A 20 -12.166 73.264 -29.203 1.00 74.24 O ATOM 285 CB ASN A 20 -11.662 76.328 -27.603 1.00 1.51 C ATOM 286 CG ASN A 20 -12.858 77.189 -27.190 1.00 51.11 C ATOM 287 OD1 ASN A 20 -14.013 76.899 -27.511 1.00 52.43 O ATOM 288 ND2 ASN A 20 -12.582 78.275 -26.486 1.00 2.01 N ATOM 0 H ASN A 20 -13.377 76.817 -29.703 1.00 0.34 H new ATOM 0 HA ASN A 20 -10.817 75.370 -29.313 1.00 2.02 H new ATOM 0 HB2 ASN A 20 -11.496 75.568 -26.840 1.00 1.51 H new ATOM 0 HB3 ASN A 20 -10.770 76.954 -27.628 1.00 1.51 H new ATOM 0 HD21 ASN A 20 -13.335 78.898 -26.194 1.00 2.01 H new ATOM 0 HD22 ASN A 20 -11.617 78.489 -26.235 1.00 2.01 H new ATOM 295 N GLY A 21 -13.876 74.490 -28.420 1.00 62.44 N ATOM 296 CA GLY A 21 -14.782 73.367 -28.319 1.00 13.55 C ATOM 297 C GLY A 21 -16.214 73.836 -28.163 1.00 0.45 C ATOM 298 O GLY A 21 -16.976 73.280 -27.370 1.00 25.41 O ATOM 0 H GLY A 21 -14.276 75.381 -28.125 1.00 62.44 H new ATOM 0 HA2 GLY A 21 -14.695 72.744 -29.209 1.00 13.55 H new ATOM 0 HA3 GLY A 21 -14.504 72.747 -27.467 1.00 13.55 H new ATOM 302 N ALA A 22 -16.559 74.890 -28.909 1.00 11.14 N ATOM 303 CA ALA A 22 -17.892 75.494 -28.859 1.00 24.15 C ATOM 304 C ALA A 22 -18.156 76.116 -27.491 1.00 21.32 C ATOM 305 O ALA A 22 -19.308 76.267 -27.077 1.00 64.10 O ATOM 306 CB ALA A 22 -18.967 74.470 -29.206 1.00 21.11 C ATOM 0 H ALA A 22 -15.923 75.347 -29.563 1.00 11.14 H new ATOM 0 HA ALA A 22 -17.930 76.288 -29.604 1.00 24.15 H new ATOM 0 HB1 ALA A 22 -19.948 74.943 -29.162 1.00 21.11 H new ATOM 0 HB2 ALA A 22 -18.794 74.087 -30.212 1.00 21.11 H new ATOM 0 HB3 ALA A 22 -18.929 73.647 -28.493 1.00 21.11 H new ATOM 312 N PHE A 23 -17.067 76.500 -26.822 1.00 32.04 N ATOM 313 CA PHE A 23 -17.114 77.101 -25.489 1.00 53.22 C ATOM 314 C PHE A 23 -17.619 76.103 -24.449 1.00 65.32 C ATOM 315 O PHE A 23 -18.815 75.833 -24.351 1.00 62.34 O ATOM 316 CB PHE A 23 -17.976 78.372 -25.482 1.00 65.22 C ATOM 317 CG PHE A 23 -18.012 79.071 -24.154 1.00 71.25 C ATOM 318 CD1 PHE A 23 -16.914 79.786 -23.705 1.00 53.43 C ATOM 319 CD2 PHE A 23 -19.143 79.013 -23.356 1.00 21.43 C ATOM 320 CE1 PHE A 23 -16.943 80.431 -22.484 1.00 0.12 C ATOM 321 CE2 PHE A 23 -19.180 79.655 -22.134 1.00 3.24 C ATOM 322 CZ PHE A 23 -18.078 80.366 -21.697 1.00 64.54 C ATOM 0 H PHE A 23 -16.122 76.402 -27.193 1.00 32.04 H new ATOM 0 HA PHE A 23 -16.095 77.381 -25.222 1.00 53.22 H new ATOM 0 HB2 PHE A 23 -17.596 79.062 -26.235 1.00 65.22 H new ATOM 0 HB3 PHE A 23 -18.994 78.111 -25.773 1.00 65.22 H new ATOM 0 HD1 PHE A 23 -16.025 79.840 -24.316 1.00 53.43 H new ATOM 0 HD2 PHE A 23 -20.006 78.459 -23.694 1.00 21.43 H new ATOM 0 HE1 PHE A 23 -16.080 80.985 -22.145 1.00 0.12 H new ATOM 0 HE2 PHE A 23 -20.068 79.602 -21.521 1.00 3.24 H new ATOM 0 HZ PHE A 23 -18.104 80.870 -20.742 1.00 64.54 H new ATOM 332 N LEU A 24 -16.692 75.561 -23.676 1.00 53.34 N ATOM 333 CA LEU A 24 -17.025 74.606 -22.630 1.00 51.34 C ATOM 334 C LEU A 24 -16.501 75.098 -21.286 1.00 45.44 C ATOM 335 O LEU A 24 -16.002 76.219 -21.194 1.00 10.11 O ATOM 336 CB LEU A 24 -16.436 73.227 -22.955 1.00 62.32 C ATOM 337 CG LEU A 24 -17.034 72.529 -24.178 1.00 3.14 C ATOM 338 CD1 LEU A 24 -16.321 71.210 -24.446 1.00 23.03 C ATOM 339 CD2 LEU A 24 -18.524 72.296 -23.979 1.00 11.23 C ATOM 0 H LEU A 24 -15.696 75.768 -23.754 1.00 53.34 H new ATOM 0 HA LEU A 24 -18.110 74.515 -22.575 1.00 51.34 H new ATOM 0 HB2 LEU A 24 -15.363 73.337 -23.109 1.00 62.32 H new ATOM 0 HB3 LEU A 24 -16.569 72.580 -22.088 1.00 62.32 H new ATOM 0 HG LEU A 24 -16.896 73.176 -25.044 1.00 3.14 H new ATOM 0 HD11 LEU A 24 -16.761 70.729 -25.320 1.00 23.03 H new ATOM 0 HD12 LEU A 24 -15.263 71.399 -24.630 1.00 23.03 H new ATOM 0 HD13 LEU A 24 -16.427 70.556 -23.580 1.00 23.03 H new ATOM 0 HD21 LEU A 24 -18.935 71.799 -24.858 1.00 11.23 H new ATOM 0 HD22 LEU A 24 -18.680 71.669 -23.101 1.00 11.23 H new ATOM 0 HD23 LEU A 24 -19.026 73.253 -23.836 1.00 11.23 H new ATOM 351 N LEU A 25 -16.615 74.239 -20.266 1.00 14.23 N ATOM 352 CA LEU A 25 -16.185 74.530 -18.891 1.00 22.42 C ATOM 353 C LEU A 25 -16.631 75.916 -18.422 1.00 42.44 C ATOM 354 O LEU A 25 -15.913 76.911 -18.560 1.00 41.32 O ATOM 355 CB LEU A 25 -14.665 74.330 -18.677 1.00 52.44 C ATOM 356 CG LEU A 25 -13.712 75.088 -19.610 1.00 3.52 C ATOM 357 CD1 LEU A 25 -12.449 75.477 -18.856 1.00 35.34 C ATOM 358 CD2 LEU A 25 -13.346 74.232 -20.817 1.00 34.05 C ATOM 0 H LEU A 25 -17.015 73.307 -20.373 1.00 14.23 H new ATOM 0 HA LEU A 25 -16.691 73.794 -18.267 1.00 22.42 H new ATOM 0 HB2 LEU A 25 -14.429 74.615 -17.652 1.00 52.44 H new ATOM 0 HB3 LEU A 25 -14.450 73.265 -18.769 1.00 52.44 H new ATOM 0 HG LEU A 25 -14.217 75.988 -19.961 1.00 3.52 H new ATOM 0 HD11 LEU A 25 -11.777 76.015 -19.525 1.00 35.34 H new ATOM 0 HD12 LEU A 25 -12.711 76.117 -18.013 1.00 35.34 H new ATOM 0 HD13 LEU A 25 -11.953 74.578 -18.489 1.00 35.34 H new ATOM 0 HD21 LEU A 25 -12.670 74.788 -21.466 1.00 34.05 H new ATOM 0 HD22 LEU A 25 -12.856 73.318 -20.480 1.00 34.05 H new ATOM 0 HD23 LEU A 25 -14.250 73.976 -21.369 1.00 34.05 H new ATOM 370 N ASN A 26 -17.833 75.964 -17.862 1.00 73.20 N ATOM 371 CA ASN A 26 -18.404 77.209 -17.362 1.00 60.40 C ATOM 372 C ASN A 26 -17.636 77.705 -16.140 1.00 55.24 C ATOM 373 O ASN A 26 -16.941 76.937 -15.470 1.00 70.31 O ATOM 374 CB ASN A 26 -19.894 77.038 -17.021 1.00 52.12 C ATOM 375 CG ASN A 26 -20.170 75.937 -16.008 1.00 31.52 C ATOM 376 OD1 ASN A 26 -19.491 74.912 -15.973 1.00 61.41 O ATOM 377 ND2 ASN A 26 -21.176 76.144 -15.176 1.00 0.40 N ATOM 0 H ASN A 26 -18.435 75.149 -17.742 1.00 73.20 H new ATOM 0 HA ASN A 26 -18.318 77.954 -18.153 1.00 60.40 H new ATOM 0 HB2 ASN A 26 -20.279 77.981 -16.633 1.00 52.12 H new ATOM 0 HB3 ASN A 26 -20.444 76.822 -17.937 1.00 52.12 H new ATOM 0 HD21 ASN A 26 -21.411 75.441 -14.475 1.00 0.40 H new ATOM 0 HD22 ASN A 26 -21.717 77.007 -15.235 1.00 0.40 H new ATOM 384 N SER A 27 -17.768 78.991 -15.850 1.00 41.42 N ATOM 385 CA SER A 27 -17.002 79.611 -14.782 1.00 71.35 C ATOM 386 C SER A 27 -17.573 79.290 -13.404 1.00 32.44 C ATOM 387 O SER A 27 -18.410 80.026 -12.872 1.00 10.41 O ATOM 388 CB SER A 27 -16.940 81.126 -14.981 1.00 30.22 C ATOM 389 OG SER A 27 -16.326 81.457 -16.216 1.00 62.34 O ATOM 0 H SER A 27 -18.399 79.625 -16.340 1.00 41.42 H new ATOM 0 HA SER A 27 -15.995 79.197 -14.827 1.00 71.35 H new ATOM 0 HB2 SER A 27 -17.947 81.541 -14.950 1.00 30.22 H new ATOM 0 HB3 SER A 27 -16.383 81.580 -14.162 1.00 30.22 H new ATOM 0 HG SER A 27 -16.301 82.431 -16.318 1.00 62.34 H new ATOM 395 N ALA A 28 -17.140 78.172 -12.845 1.00 11.40 N ATOM 396 CA ALA A 28 -17.393 77.878 -11.448 1.00 74.12 C ATOM 397 C ALA A 28 -16.381 78.645 -10.613 1.00 32.20 C ATOM 398 O ALA A 28 -15.183 78.366 -10.683 1.00 40.33 O ATOM 399 CB ALA A 28 -17.298 76.379 -11.184 1.00 11.11 C ATOM 0 H ALA A 28 -16.611 77.454 -13.340 1.00 11.40 H new ATOM 0 HA ALA A 28 -18.403 78.186 -11.178 1.00 74.12 H new ATOM 0 HB1 ALA A 28 -17.491 76.182 -10.129 1.00 11.11 H new ATOM 0 HB2 ALA A 28 -18.035 75.855 -11.792 1.00 11.11 H new ATOM 0 HB3 ALA A 28 -16.299 76.027 -11.441 1.00 11.11 H new ATOM 405 N GLN A 29 -16.852 79.629 -9.859 1.00 51.32 N ATOM 406 CA GLN A 29 -15.950 80.529 -9.154 1.00 50.44 C ATOM 407 C GLN A 29 -15.329 79.864 -7.933 1.00 51.32 C ATOM 408 O GLN A 29 -15.951 79.751 -6.872 1.00 65.31 O ATOM 409 CB GLN A 29 -16.651 81.833 -8.765 1.00 25.01 C ATOM 410 CG GLN A 29 -15.749 82.786 -7.998 1.00 22.41 C ATOM 411 CD GLN A 29 -16.275 84.205 -7.975 1.00 13.34 C ATOM 412 OE1 GLN A 29 -15.929 85.020 -8.830 1.00 43.24 O ATOM 413 NE2 GLN A 29 -17.112 84.512 -7.004 1.00 45.43 N ATOM 0 H GLN A 29 -17.844 79.823 -9.720 1.00 51.32 H new ATOM 0 HA GLN A 29 -15.142 80.774 -9.844 1.00 50.44 H new ATOM 0 HB2 GLN A 29 -17.011 82.329 -9.667 1.00 25.01 H new ATOM 0 HB3 GLN A 29 -17.526 81.602 -8.158 1.00 25.01 H new ATOM 0 HG2 GLN A 29 -15.638 82.428 -6.974 1.00 22.41 H new ATOM 0 HG3 GLN A 29 -14.756 82.779 -8.447 1.00 22.41 H new ATOM 0 HE21 GLN A 29 -17.374 83.807 -6.315 1.00 45.43 H new ATOM 0 HE22 GLN A 29 -17.498 85.454 -6.942 1.00 45.43 H new ATOM 422 N ALA A 30 -14.101 79.413 -8.132 1.00 32.35 N ATOM 423 CA ALA A 30 -13.281 78.806 -7.099 1.00 75.25 C ATOM 424 C ALA A 30 -11.922 78.505 -7.704 1.00 2.24 C ATOM 425 O ALA A 30 -11.702 78.790 -8.882 1.00 44.53 O ATOM 426 CB ALA A 30 -13.922 77.529 -6.567 1.00 53.52 C ATOM 0 H ALA A 30 -13.637 79.461 -9.039 1.00 32.35 H new ATOM 0 HA ALA A 30 -13.182 79.490 -6.256 1.00 75.25 H new ATOM 0 HB1 ALA A 30 -13.285 77.097 -5.795 1.00 53.52 H new ATOM 0 HB2 ALA A 30 -14.899 77.761 -6.144 1.00 53.52 H new ATOM 0 HB3 ALA A 30 -14.040 76.815 -7.382 1.00 53.52 H new ATOM 432 N GLN A 31 -11.011 77.944 -6.927 1.00 62.43 N ATOM 433 CA GLN A 31 -9.736 77.515 -7.479 1.00 45.15 C ATOM 434 C GLN A 31 -9.873 76.094 -8.000 1.00 11.34 C ATOM 435 O GLN A 31 -9.742 75.125 -7.250 1.00 33.30 O ATOM 436 CB GLN A 31 -8.611 77.612 -6.446 1.00 15.14 C ATOM 437 CG GLN A 31 -8.355 79.031 -5.969 1.00 52.33 C ATOM 438 CD GLN A 31 -7.094 79.149 -5.134 1.00 4.22 C ATOM 439 OE1 GLN A 31 -7.127 79.000 -3.913 1.00 75.53 O ATOM 440 NE2 GLN A 31 -5.979 79.433 -5.786 1.00 5.45 N ATOM 0 H GLN A 31 -11.126 77.776 -5.927 1.00 62.43 H new ATOM 0 HA GLN A 31 -9.469 78.180 -8.300 1.00 45.15 H new ATOM 0 HB2 GLN A 31 -8.860 76.987 -5.588 1.00 15.14 H new ATOM 0 HB3 GLN A 31 -7.694 77.210 -6.878 1.00 15.14 H new ATOM 0 HG2 GLN A 31 -8.277 79.692 -6.832 1.00 52.33 H new ATOM 0 HG3 GLN A 31 -9.208 79.372 -5.382 1.00 52.33 H new ATOM 0 HE21 GLN A 31 -5.996 79.548 -6.799 1.00 5.45 H new ATOM 0 HE22 GLN A 31 -5.102 79.537 -5.276 1.00 5.45 H new ATOM 449 N ASN A 32 -10.169 75.981 -9.285 1.00 32.35 N ATOM 450 CA ASN A 32 -10.484 74.695 -9.885 1.00 60.00 C ATOM 451 C ASN A 32 -9.224 73.897 -10.166 1.00 24.31 C ATOM 452 O ASN A 32 -8.681 73.928 -11.270 1.00 12.35 O ATOM 453 CB ASN A 32 -11.301 74.885 -11.167 1.00 55.23 C ATOM 454 CG ASN A 32 -12.670 75.481 -10.893 1.00 52.21 C ATOM 455 OD1 ASN A 32 -13.273 75.230 -9.848 1.00 64.01 O ATOM 456 ND2 ASN A 32 -13.170 76.280 -11.825 1.00 12.22 N ATOM 0 H ASN A 32 -10.198 76.767 -9.934 1.00 32.35 H new ATOM 0 HA ASN A 32 -11.085 74.130 -9.172 1.00 60.00 H new ATOM 0 HB2 ASN A 32 -10.754 75.534 -11.851 1.00 55.23 H new ATOM 0 HB3 ASN A 32 -11.419 73.923 -11.666 1.00 55.23 H new ATOM 0 HD21 ASN A 32 -14.084 76.711 -11.690 1.00 12.22 H new ATOM 0 HD22 ASN A 32 -12.640 76.464 -12.677 1.00 12.22 H new ATOM 463 N SER A 33 -8.742 73.212 -9.142 1.00 43.41 N ATOM 464 CA SER A 33 -7.593 72.344 -9.271 1.00 24.32 C ATOM 465 C SER A 33 -8.039 70.960 -9.725 1.00 0.13 C ATOM 466 O SER A 33 -8.616 70.199 -8.949 1.00 23.01 O ATOM 467 CB SER A 33 -6.856 72.263 -7.934 1.00 74.21 C ATOM 468 OG SER A 33 -6.506 73.558 -7.474 1.00 5.52 O ATOM 0 H SER A 33 -9.138 73.245 -8.202 1.00 43.41 H new ATOM 0 HA SER A 33 -6.912 72.750 -10.019 1.00 24.32 H new ATOM 0 HB2 SER A 33 -7.486 71.768 -7.195 1.00 74.21 H new ATOM 0 HB3 SER A 33 -5.957 71.656 -8.045 1.00 74.21 H new ATOM 0 HG SER A 33 -6.037 73.485 -6.617 1.00 5.52 H new ATOM 474 N TYR A 34 -7.803 70.654 -10.992 1.00 44.31 N ATOM 475 CA TYR A 34 -8.179 69.365 -11.561 1.00 61.24 C ATOM 476 C TYR A 34 -7.065 68.863 -12.472 1.00 73.24 C ATOM 477 O TYR A 34 -7.304 68.134 -13.435 1.00 62.43 O ATOM 478 CB TYR A 34 -9.498 69.482 -12.343 1.00 13.13 C ATOM 479 CG TYR A 34 -10.692 69.824 -11.478 1.00 74.24 C ATOM 480 CD1 TYR A 34 -11.376 68.833 -10.787 1.00 25.42 C ATOM 481 CD2 TYR A 34 -11.123 71.137 -11.339 1.00 64.13 C ATOM 482 CE1 TYR A 34 -12.461 69.140 -9.991 1.00 53.30 C ATOM 483 CE2 TYR A 34 -12.209 71.450 -10.544 1.00 70.13 C ATOM 484 CZ TYR A 34 -12.870 70.449 -9.868 1.00 21.34 C ATOM 485 OH TYR A 34 -13.947 70.758 -9.066 1.00 74.43 O ATOM 0 H TYR A 34 -7.349 71.286 -11.652 1.00 44.31 H new ATOM 0 HA TYR A 34 -8.327 68.651 -10.751 1.00 61.24 H new ATOM 0 HB2 TYR A 34 -9.387 70.247 -13.112 1.00 13.13 H new ATOM 0 HB3 TYR A 34 -9.690 68.540 -12.856 1.00 13.13 H new ATOM 0 HD1 TYR A 34 -11.054 67.806 -10.874 1.00 25.42 H new ATOM 0 HD2 TYR A 34 -10.601 71.926 -11.860 1.00 64.13 H new ATOM 0 HE1 TYR A 34 -12.987 68.356 -9.466 1.00 53.30 H new ATOM 0 HE2 TYR A 34 -12.538 72.475 -10.453 1.00 70.13 H new ATOM 0 HH TYR A 34 -14.104 71.725 -9.088 1.00 74.43 H new ATOM 495 N LYS A 35 -5.842 69.253 -12.141 1.00 52.32 N ATOM 496 CA LYS A 35 -4.670 68.900 -12.930 1.00 32.34 C ATOM 497 C LYS A 35 -3.991 67.668 -12.330 1.00 3.52 C ATOM 498 O LYS A 35 -2.924 67.241 -12.771 1.00 34.43 O ATOM 499 CB LYS A 35 -3.709 70.096 -12.954 1.00 4.45 C ATOM 500 CG LYS A 35 -2.520 69.941 -13.887 1.00 64.01 C ATOM 501 CD LYS A 35 -2.949 69.839 -15.340 1.00 53.33 C ATOM 502 CE LYS A 35 -1.749 69.843 -16.267 1.00 71.43 C ATOM 503 NZ LYS A 35 -0.948 71.088 -16.121 1.00 25.44 N1+ ATOM 0 H LYS A 35 -5.634 69.822 -11.320 1.00 52.32 H new ATOM 0 HA LYS A 35 -4.965 68.660 -13.951 1.00 32.34 H new ATOM 0 HB2 LYS A 35 -4.267 70.986 -13.244 1.00 4.45 H new ATOM 0 HB3 LYS A 35 -3.339 70.267 -11.943 1.00 4.45 H new ATOM 0 HG2 LYS A 35 -1.850 70.792 -13.765 1.00 64.01 H new ATOM 0 HG3 LYS A 35 -1.956 69.050 -13.612 1.00 64.01 H new ATOM 0 HD2 LYS A 35 -3.524 68.925 -15.489 1.00 53.33 H new ATOM 0 HD3 LYS A 35 -3.606 70.673 -15.587 1.00 53.33 H new ATOM 0 HE2 LYS A 35 -1.121 68.978 -16.053 1.00 71.43 H new ATOM 0 HE3 LYS A 35 -2.086 69.745 -17.299 1.00 71.43 H new ATOM 0 HZ1 LYS A 35 -0.273 71.161 -16.909 1.00 25.44 H new ATOM 0 HZ2 LYS A 35 -1.582 71.912 -16.131 1.00 25.44 H new ATOM 0 HZ3 LYS A 35 -0.428 71.062 -15.221 1.00 25.44 H new ATOM 517 N ASP A 36 -4.633 67.094 -11.327 1.00 74.53 N ATOM 518 CA ASP A 36 -4.079 65.960 -10.601 1.00 12.22 C ATOM 519 C ASP A 36 -4.457 64.630 -11.254 1.00 2.12 C ATOM 520 O ASP A 36 -5.484 64.522 -11.926 1.00 1.02 O ATOM 521 CB ASP A 36 -4.555 65.989 -9.145 1.00 13.10 C ATOM 522 CG ASP A 36 -6.066 65.973 -9.023 1.00 53.20 C ATOM 523 OD1 ASP A 36 -6.698 67.013 -9.301 1.00 0.23 O ATOM 524 OD2 ASP A 36 -6.628 64.934 -8.623 1.00 61.43 O1- ATOM 0 H ASP A 36 -5.548 67.397 -10.993 1.00 74.53 H new ATOM 0 HA ASP A 36 -2.993 66.043 -10.630 1.00 12.22 H new ATOM 0 HB2 ASP A 36 -4.143 65.130 -8.615 1.00 13.10 H new ATOM 0 HB3 ASP A 36 -4.165 66.882 -8.657 1.00 13.10 H new ATOM 529 N PRO A 37 -3.588 63.613 -11.087 1.00 13.20 N ATOM 530 CA PRO A 37 -3.822 62.238 -11.554 1.00 63.51 C ATOM 531 C PRO A 37 -5.203 61.687 -11.197 1.00 54.33 C ATOM 532 O PRO A 37 -5.783 62.036 -10.169 1.00 45.11 O ATOM 533 CB PRO A 37 -2.745 61.422 -10.817 1.00 21.24 C ATOM 534 CG PRO A 37 -2.111 62.367 -9.850 1.00 41.34 C ATOM 535 CD PRO A 37 -2.274 63.723 -10.457 1.00 70.22 C ATOM 0 HA PRO A 37 -3.775 62.191 -12.642 1.00 63.51 H new ATOM 0 HB2 PRO A 37 -3.186 60.570 -10.300 1.00 21.24 H new ATOM 0 HB3 PRO A 37 -2.009 61.025 -11.516 1.00 21.24 H new ATOM 0 HG2 PRO A 37 -2.593 62.313 -8.874 1.00 41.34 H new ATOM 0 HG3 PRO A 37 -1.058 62.128 -9.699 1.00 41.34 H new ATOM 0 HD2 PRO A 37 -2.245 64.513 -9.706 1.00 70.22 H new ATOM 0 HD3 PRO A 37 -1.490 63.943 -11.182 1.00 70.22 H new ATOM 543 N SER A 38 -5.710 60.809 -12.053 1.00 14.04 N ATOM 544 CA SER A 38 -6.983 60.153 -11.819 1.00 55.00 C ATOM 545 C SER A 38 -6.884 58.691 -12.251 1.00 15.51 C ATOM 546 O SER A 38 -6.798 58.404 -13.447 1.00 61.15 O ATOM 547 CB SER A 38 -8.097 60.864 -12.595 1.00 62.11 C ATOM 548 OG SER A 38 -9.380 60.429 -12.178 1.00 2.22 O ATOM 0 H SER A 38 -5.252 60.535 -12.922 1.00 14.04 H new ATOM 0 HA SER A 38 -7.223 60.199 -10.757 1.00 55.00 H new ATOM 0 HB2 SER A 38 -8.012 61.941 -12.451 1.00 62.11 H new ATOM 0 HB3 SER A 38 -7.977 60.675 -13.662 1.00 62.11 H new ATOM 0 HG SER A 38 -10.068 60.902 -12.690 1.00 2.22 H new ATOM 554 N TYR A 39 -6.857 57.789 -11.266 1.00 43.44 N ATOM 555 CA TYR A 39 -6.745 56.346 -11.504 1.00 20.45 C ATOM 556 C TYR A 39 -5.446 55.994 -12.233 1.00 62.10 C ATOM 557 O TYR A 39 -5.360 56.100 -13.458 1.00 24.30 O ATOM 558 CB TYR A 39 -7.960 55.828 -12.290 1.00 32.34 C ATOM 559 CG TYR A 39 -7.951 54.330 -12.534 1.00 55.01 C ATOM 560 CD1 TYR A 39 -7.587 53.807 -13.769 1.00 1.41 C ATOM 561 CD2 TYR A 39 -8.305 53.442 -11.527 1.00 62.40 C ATOM 562 CE1 TYR A 39 -7.577 52.442 -13.992 1.00 74.42 C ATOM 563 CE2 TYR A 39 -8.298 52.076 -11.742 1.00 23.44 C ATOM 564 CZ TYR A 39 -7.930 51.580 -12.975 1.00 40.22 C ATOM 565 OH TYR A 39 -7.918 50.219 -13.195 1.00 3.35 O ATOM 0 H TYR A 39 -6.912 58.039 -10.279 1.00 43.44 H new ATOM 0 HA TYR A 39 -6.724 55.855 -10.531 1.00 20.45 H new ATOM 0 HB2 TYR A 39 -8.868 56.091 -11.748 1.00 32.34 H new ATOM 0 HB3 TYR A 39 -8.003 56.341 -13.251 1.00 32.34 H new ATOM 0 HD1 TYR A 39 -7.307 54.478 -14.568 1.00 1.41 H new ATOM 0 HD2 TYR A 39 -8.591 53.825 -10.559 1.00 62.40 H new ATOM 0 HE1 TYR A 39 -7.294 52.053 -14.959 1.00 74.42 H new ATOM 0 HE2 TYR A 39 -8.580 51.401 -10.948 1.00 23.44 H new ATOM 0 HH TYR A 39 -8.191 49.753 -12.377 1.00 3.35 H new ATOM 575 N ASN A 40 -4.431 55.591 -11.466 1.00 65.22 N ATOM 576 CA ASN A 40 -3.142 55.160 -12.028 1.00 3.22 C ATOM 577 C ASN A 40 -2.422 56.314 -12.721 1.00 70.45 C ATOM 578 O ASN A 40 -1.547 56.090 -13.561 1.00 15.21 O ATOM 579 CB ASN A 40 -3.339 54.002 -13.016 1.00 75.20 C ATOM 580 CG ASN A 40 -3.607 52.672 -12.334 1.00 64.02 C ATOM 581 OD1 ASN A 40 -4.103 52.620 -11.209 1.00 40.50 O ATOM 582 ND2 ASN A 40 -3.292 51.585 -13.021 1.00 70.04 N ATOM 0 H ASN A 40 -4.474 55.553 -10.448 1.00 65.22 H new ATOM 0 HA ASN A 40 -2.524 54.818 -11.198 1.00 3.22 H new ATOM 0 HB2 ASN A 40 -4.171 54.237 -13.679 1.00 75.20 H new ATOM 0 HB3 ASN A 40 -2.450 53.910 -13.640 1.00 75.20 H new ATOM 0 HD21 ASN A 40 -3.459 50.662 -12.620 1.00 70.04 H new ATOM 0 HD22 ASN A 40 -2.882 51.670 -13.951 1.00 70.04 H new ATOM 589 N ASP A 41 -2.776 57.537 -12.329 1.00 1.43 N ATOM 590 CA ASP A 41 -2.231 58.763 -12.919 1.00 42.41 C ATOM 591 C ASP A 41 -2.673 58.934 -14.369 1.00 73.04 C ATOM 592 O ASP A 41 -2.732 57.982 -15.146 1.00 20.40 O ATOM 593 CB ASP A 41 -0.702 58.816 -12.819 1.00 75.34 C ATOM 594 CG ASP A 41 -0.132 60.093 -13.414 1.00 44.10 C ATOM 595 OD1 ASP A 41 -0.653 61.190 -13.102 1.00 61.14 O ATOM 596 OD2 ASP A 41 0.851 60.008 -14.179 1.00 31.02 O1- ATOM 0 H ASP A 41 -3.455 57.708 -11.587 1.00 1.43 H new ATOM 0 HA ASP A 41 -2.635 59.593 -12.338 1.00 42.41 H new ATOM 0 HB2 ASP A 41 -0.405 58.740 -11.773 1.00 75.34 H new ATOM 0 HB3 ASP A 41 -0.276 57.955 -13.334 1.00 75.34 H new ATOM 601 N ASP A 42 -2.978 60.165 -14.732 1.00 64.11 N ATOM 602 CA ASP A 42 -3.494 60.455 -16.060 1.00 22.32 C ATOM 603 C ASP A 42 -2.603 61.466 -16.763 1.00 12.21 C ATOM 604 O ASP A 42 -1.911 61.134 -17.727 1.00 2.23 O ATOM 605 CB ASP A 42 -4.925 60.991 -15.971 1.00 70.12 C ATOM 606 CG ASP A 42 -5.587 61.124 -17.331 1.00 70.01 C ATOM 607 OD1 ASP A 42 -5.228 62.046 -18.090 1.00 24.15 O ATOM 608 OD2 ASP A 42 -6.483 60.314 -17.639 1.00 23.10 O1- ATOM 0 H ASP A 42 -2.878 60.981 -14.128 1.00 64.11 H new ATOM 0 HA ASP A 42 -3.501 59.530 -16.637 1.00 22.32 H new ATOM 0 HB2 ASP A 42 -5.520 60.325 -15.346 1.00 70.12 H new ATOM 0 HB3 ASP A 42 -4.914 61.964 -15.480 1.00 70.12 H new ATOM 613 N PHE A 43 -2.614 62.694 -16.260 1.00 34.33 N ATOM 614 CA PHE A 43 -1.869 63.786 -16.869 1.00 42.52 C ATOM 615 C PHE A 43 -1.373 64.731 -15.776 1.00 55.15 C ATOM 616 O PHE A 43 -1.085 65.901 -16.021 1.00 42.21 O ATOM 617 CB PHE A 43 -2.786 64.525 -17.857 1.00 45.40 C ATOM 618 CG PHE A 43 -2.068 65.392 -18.856 1.00 60.21 C ATOM 619 CD1 PHE A 43 -1.365 64.824 -19.904 1.00 61.42 C ATOM 620 CD2 PHE A 43 -2.115 66.773 -18.757 1.00 74.23 C ATOM 621 CE1 PHE A 43 -0.717 65.615 -20.833 1.00 3.13 C ATOM 622 CE2 PHE A 43 -1.467 67.570 -19.681 1.00 34.35 C ATOM 623 CZ PHE A 43 -0.768 66.991 -20.722 1.00 75.22 C ATOM 0 H PHE A 43 -3.136 62.959 -15.425 1.00 34.33 H new ATOM 0 HA PHE A 43 -1.005 63.401 -17.411 1.00 42.52 H new ATOM 0 HB2 PHE A 43 -3.382 63.790 -18.397 1.00 45.40 H new ATOM 0 HB3 PHE A 43 -3.481 65.146 -17.291 1.00 45.40 H new ATOM 0 HD1 PHE A 43 -1.322 63.749 -19.997 1.00 61.42 H new ATOM 0 HD2 PHE A 43 -2.664 67.232 -17.948 1.00 74.23 H new ATOM 0 HE1 PHE A 43 -0.171 65.158 -21.645 1.00 3.13 H new ATOM 0 HE2 PHE A 43 -1.507 68.645 -19.589 1.00 34.35 H new ATOM 0 HZ PHE A 43 -0.263 67.612 -21.447 1.00 75.22 H new ATOM 633 N GLY A 44 -1.244 64.199 -14.566 1.00 3.11 N ATOM 634 CA GLY A 44 -0.947 65.034 -13.418 1.00 42.15 C ATOM 635 C GLY A 44 0.453 64.825 -12.885 1.00 3.45 C ATOM 636 O GLY A 44 0.652 64.684 -11.677 1.00 74.52 O ATOM 0 H GLY A 44 -1.340 63.205 -14.360 1.00 3.11 H new ATOM 0 HA2 GLY A 44 -1.073 66.081 -13.694 1.00 42.15 H new ATOM 0 HA3 GLY A 44 -1.667 64.824 -12.627 1.00 42.15 H new ATOM 640 N ILE A 45 1.419 64.796 -13.785 1.00 51.24 N ATOM 641 CA ILE A 45 2.818 64.648 -13.403 1.00 71.42 C ATOM 642 C ILE A 45 3.366 65.980 -12.895 1.00 20.41 C ATOM 643 O ILE A 45 3.705 66.108 -11.718 1.00 25.51 O ATOM 644 CB ILE A 45 3.681 64.148 -14.585 1.00 34.42 C ATOM 645 CG1 ILE A 45 3.116 62.835 -15.138 1.00 11.31 C ATOM 646 CG2 ILE A 45 5.130 63.966 -14.145 1.00 54.24 C ATOM 647 CD1 ILE A 45 3.865 62.309 -16.346 1.00 75.24 C ATOM 0 H ILE A 45 1.263 64.873 -14.790 1.00 51.24 H new ATOM 0 HA ILE A 45 2.867 63.903 -12.609 1.00 71.42 H new ATOM 0 HB ILE A 45 3.654 64.896 -15.378 1.00 34.42 H new ATOM 0 HG12 ILE A 45 3.138 62.081 -14.351 1.00 11.31 H new ATOM 0 HG13 ILE A 45 2.070 62.985 -15.407 1.00 11.31 H new ATOM 0 HG21 ILE A 45 5.725 63.614 -14.988 1.00 54.24 H new ATOM 0 HG22 ILE A 45 5.526 64.919 -13.794 1.00 54.24 H new ATOM 0 HG23 ILE A 45 5.176 63.235 -13.338 1.00 54.24 H new ATOM 0 HD11 ILE A 45 3.408 61.378 -16.681 1.00 75.24 H new ATOM 0 HD12 ILE A 45 3.821 63.044 -17.150 1.00 75.24 H new ATOM 0 HD13 ILE A 45 4.906 62.126 -16.078 1.00 75.24 H new ATOM 659 N GLU A 46 3.455 66.956 -13.804 1.00 65.21 N ATOM 660 CA GLU A 46 3.857 68.334 -13.486 1.00 41.54 C ATOM 661 C GLU A 46 5.345 68.468 -13.136 1.00 5.12 C ATOM 662 O GLU A 46 5.968 69.478 -13.461 1.00 43.23 O ATOM 663 CB GLU A 46 2.982 68.921 -12.372 1.00 55.55 C ATOM 664 CG GLU A 46 1.540 69.174 -12.803 1.00 14.53 C ATOM 665 CD GLU A 46 1.412 70.300 -13.817 1.00 0.14 C ATOM 666 OE1 GLU A 46 2.269 70.406 -14.720 1.00 65.32 O ATOM 667 OE2 GLU A 46 0.446 71.085 -13.724 1.00 5.55 O1- ATOM 0 H GLU A 46 3.248 66.812 -14.792 1.00 65.21 H new ATOM 0 HA GLU A 46 3.702 68.911 -14.398 1.00 41.54 H new ATOM 0 HB2 GLU A 46 2.985 68.240 -11.521 1.00 55.55 H new ATOM 0 HB3 GLU A 46 3.421 69.859 -12.031 1.00 55.55 H new ATOM 0 HG2 GLU A 46 1.128 68.259 -13.230 1.00 14.53 H new ATOM 0 HG3 GLU A 46 0.941 69.414 -11.925 1.00 14.53 H new ATOM 674 N THR A 47 5.918 67.463 -12.490 1.00 53.34 N ATOM 675 CA THR A 47 7.327 67.505 -12.122 1.00 11.21 C ATOM 676 C THR A 47 8.077 66.275 -12.664 1.00 2.33 C ATOM 677 O THR A 47 8.201 65.246 -12.001 1.00 31.14 O ATOM 678 CB THR A 47 7.501 67.660 -10.585 1.00 14.13 C ATOM 679 OG1 THR A 47 8.887 67.695 -10.222 1.00 60.32 O ATOM 680 CG2 THR A 47 6.791 66.548 -9.819 1.00 31.14 C ATOM 0 H THR A 47 5.432 66.611 -12.210 1.00 53.34 H new ATOM 0 HA THR A 47 7.772 68.385 -12.586 1.00 11.21 H new ATOM 0 HB THR A 47 7.041 68.609 -10.310 1.00 14.13 H new ATOM 0 HG1 THR A 47 8.968 67.795 -9.250 1.00 60.32 H new ATOM 0 HG21 THR A 47 6.937 66.693 -8.749 1.00 31.14 H new ATOM 0 HG22 THR A 47 5.725 66.573 -10.046 1.00 31.14 H new ATOM 0 HG23 THR A 47 7.203 65.583 -10.114 1.00 31.14 H new ATOM 688 N PRO A 48 8.546 66.359 -13.922 1.00 63.35 N ATOM 689 CA PRO A 48 9.275 65.270 -14.574 1.00 21.13 C ATOM 690 C PRO A 48 10.671 65.090 -13.991 1.00 23.22 C ATOM 691 O PRO A 48 11.505 65.991 -14.074 1.00 30.10 O ATOM 692 CB PRO A 48 9.363 65.709 -16.048 1.00 72.10 C ATOM 693 CG PRO A 48 8.448 66.884 -16.174 1.00 2.42 C ATOM 694 CD PRO A 48 8.402 67.517 -14.814 1.00 3.12 C ATOM 0 HA PRO A 48 8.775 64.311 -14.438 1.00 21.13 H new ATOM 0 HB2 PRO A 48 10.385 65.978 -16.316 1.00 72.10 H new ATOM 0 HB3 PRO A 48 9.059 64.903 -16.716 1.00 72.10 H new ATOM 0 HG2 PRO A 48 8.817 67.588 -16.920 1.00 2.42 H new ATOM 0 HG3 PRO A 48 7.454 66.572 -16.494 1.00 2.42 H new ATOM 0 HD2 PRO A 48 9.206 68.239 -14.675 1.00 3.12 H new ATOM 0 HD3 PRO A 48 7.465 68.047 -14.644 1.00 3.12 H new ATOM 702 N SER A 49 10.920 63.935 -13.392 1.00 1.52 N ATOM 703 CA SER A 49 12.219 63.660 -12.797 1.00 71.45 C ATOM 704 C SER A 49 13.088 62.823 -13.740 1.00 5.40 C ATOM 705 O SER A 49 14.065 63.323 -14.301 1.00 55.33 O ATOM 706 CB SER A 49 12.042 62.945 -11.456 1.00 4.01 C ATOM 707 OG SER A 49 11.123 63.638 -10.626 1.00 52.25 O ATOM 0 H SER A 49 10.243 63.177 -13.305 1.00 1.52 H new ATOM 0 HA SER A 49 12.727 64.609 -12.626 1.00 71.45 H new ATOM 0 HB2 SER A 49 11.688 61.928 -11.626 1.00 4.01 H new ATOM 0 HB3 SER A 49 13.005 62.867 -10.952 1.00 4.01 H new ATOM 0 HG SER A 49 11.026 63.160 -9.776 1.00 52.25 H new ATOM 713 N ALA A 50 12.723 61.560 -13.934 1.00 4.34 N ATOM 714 CA ALA A 50 13.524 60.657 -14.754 1.00 71.23 C ATOM 715 C ALA A 50 13.195 60.816 -16.233 1.00 52.43 C ATOM 716 O ALA A 50 14.088 60.821 -17.083 1.00 63.35 O ATOM 717 CB ALA A 50 13.313 59.218 -14.310 1.00 52.42 C ATOM 0 H ALA A 50 11.883 61.140 -13.537 1.00 4.34 H new ATOM 0 HA ALA A 50 14.574 60.916 -14.618 1.00 71.23 H new ATOM 0 HB1 ALA A 50 13.916 58.554 -14.929 1.00 52.42 H new ATOM 0 HB2 ALA A 50 13.611 59.112 -13.267 1.00 52.42 H new ATOM 0 HB3 ALA A 50 12.260 58.956 -14.415 1.00 52.42 H new ATOM 723 N LEU A 51 11.910 60.972 -16.533 1.00 14.24 N ATOM 724 CA LEU A 51 11.457 61.111 -17.916 1.00 65.24 C ATOM 725 C LEU A 51 11.894 62.451 -18.500 1.00 54.11 C ATOM 726 O LEU A 51 11.884 62.633 -19.717 1.00 73.42 O ATOM 727 CB LEU A 51 9.932 60.988 -18.028 1.00 34.13 C ATOM 728 CG LEU A 51 9.128 62.146 -17.426 1.00 14.14 C ATOM 729 CD1 LEU A 51 7.767 62.244 -18.087 1.00 42.24 C ATOM 730 CD2 LEU A 51 8.963 61.975 -15.925 1.00 32.32 C ATOM 0 H LEU A 51 11.163 61.006 -15.839 1.00 14.24 H new ATOM 0 HA LEU A 51 11.916 60.300 -18.481 1.00 65.24 H new ATOM 0 HB2 LEU A 51 9.669 60.896 -19.082 1.00 34.13 H new ATOM 0 HB3 LEU A 51 9.623 60.063 -17.541 1.00 34.13 H new ATOM 0 HG LEU A 51 9.681 63.068 -17.608 1.00 14.14 H new ATOM 0 HD11 LEU A 51 7.208 63.071 -17.649 1.00 42.24 H new ATOM 0 HD12 LEU A 51 7.893 62.417 -19.156 1.00 42.24 H new ATOM 0 HD13 LEU A 51 7.220 61.314 -17.933 1.00 42.24 H new ATOM 0 HD21 LEU A 51 8.389 62.811 -15.525 1.00 32.32 H new ATOM 0 HD22 LEU A 51 8.437 61.042 -15.721 1.00 32.32 H new ATOM 0 HD23 LEU A 51 9.945 61.949 -15.452 1.00 32.32 H new ATOM 742 N ASP A 52 12.270 63.378 -17.622 1.00 2.23 N ATOM 743 CA ASP A 52 12.684 64.721 -18.031 1.00 12.25 C ATOM 744 C ASP A 52 13.851 64.653 -19.004 1.00 34.31 C ATOM 745 O ASP A 52 13.811 65.253 -20.074 1.00 33.15 O ATOM 746 CB ASP A 52 13.076 65.550 -16.806 1.00 5.20 C ATOM 747 CG ASP A 52 13.561 66.943 -17.166 1.00 62.52 C ATOM 748 OD1 ASP A 52 14.791 67.151 -17.251 1.00 12.41 O ATOM 749 OD2 ASP A 52 12.714 67.842 -17.342 1.00 63.02 O1- ATOM 0 H ASP A 52 12.297 63.223 -16.614 1.00 2.23 H new ATOM 0 HA ASP A 52 11.842 65.199 -18.532 1.00 12.25 H new ATOM 0 HB2 ASP A 52 12.218 65.631 -16.138 1.00 5.20 H new ATOM 0 HB3 ASP A 52 13.860 65.029 -16.256 1.00 5.20 H new ATOM 754 N ASN A 53 14.874 63.897 -18.635 1.00 61.25 N ATOM 755 CA ASN A 53 16.045 63.720 -19.485 1.00 42.12 C ATOM 756 C ASN A 53 15.656 63.092 -20.821 1.00 63.01 C ATOM 757 O ASN A 53 16.116 63.525 -21.879 1.00 23.25 O ATOM 758 CB ASN A 53 17.084 62.853 -18.764 1.00 44.53 C ATOM 759 CG ASN A 53 18.252 62.464 -19.650 1.00 73.01 C ATOM 760 OD1 ASN A 53 19.226 63.207 -19.778 1.00 72.42 O ATOM 761 ND2 ASN A 53 18.173 61.282 -20.244 1.00 31.23 N ATOM 0 H ASN A 53 14.918 63.394 -17.749 1.00 61.25 H new ATOM 0 HA ASN A 53 16.480 64.698 -19.689 1.00 42.12 H new ATOM 0 HB2 ASN A 53 17.459 63.393 -17.895 1.00 44.53 H new ATOM 0 HB3 ASN A 53 16.600 61.949 -18.393 1.00 44.53 H new ATOM 0 HD21 ASN A 53 18.938 60.956 -20.835 1.00 31.23 H new ATOM 0 HD22 ASN A 53 17.347 60.698 -20.111 1.00 31.23 H new ATOM 768 N PHE A 54 14.793 62.086 -20.763 1.00 22.14 N ATOM 769 CA PHE A 54 14.343 61.384 -21.959 1.00 43.23 C ATOM 770 C PHE A 54 13.633 62.334 -22.922 1.00 0.30 C ATOM 771 O PHE A 54 13.999 62.429 -24.093 1.00 51.31 O ATOM 772 CB PHE A 54 13.411 60.233 -21.569 1.00 64.13 C ATOM 773 CG PHE A 54 12.846 59.482 -22.743 1.00 32.43 C ATOM 774 CD1 PHE A 54 11.502 59.594 -23.070 1.00 20.25 C ATOM 775 CD2 PHE A 54 13.656 58.669 -23.518 1.00 52.44 C ATOM 776 CE1 PHE A 54 10.979 58.911 -24.152 1.00 74.25 C ATOM 777 CE2 PHE A 54 13.138 57.983 -24.600 1.00 41.13 C ATOM 778 CZ PHE A 54 11.799 58.102 -24.917 1.00 1.54 C ATOM 0 H PHE A 54 14.388 61.736 -19.895 1.00 22.14 H new ATOM 0 HA PHE A 54 15.219 60.981 -22.468 1.00 43.23 H new ATOM 0 HB2 PHE A 54 13.957 59.536 -20.933 1.00 64.13 H new ATOM 0 HB3 PHE A 54 12.588 60.630 -20.974 1.00 64.13 H new ATOM 0 HD1 PHE A 54 10.858 60.222 -22.473 1.00 20.25 H new ATOM 0 HD2 PHE A 54 14.703 58.570 -23.274 1.00 52.44 H new ATOM 0 HE1 PHE A 54 9.932 59.009 -24.399 1.00 74.25 H new ATOM 0 HE2 PHE A 54 13.780 57.354 -25.198 1.00 41.13 H new ATOM 0 HZ PHE A 54 11.393 57.564 -25.761 1.00 1.54 H new ATOM 788 N THR A 55 12.630 63.052 -22.422 1.00 75.41 N ATOM 789 CA THR A 55 11.845 63.940 -23.267 1.00 62.12 C ATOM 790 C THR A 55 12.683 65.136 -23.724 1.00 21.25 C ATOM 791 O THR A 55 12.489 65.659 -24.823 1.00 1.24 O ATOM 792 CB THR A 55 10.556 64.420 -22.551 1.00 4.21 C ATOM 793 OG1 THR A 55 9.697 65.102 -23.472 1.00 21.43 O ATOM 794 CG2 THR A 55 10.868 65.339 -21.380 1.00 4.31 C ATOM 0 H THR A 55 12.345 63.035 -21.443 1.00 75.41 H new ATOM 0 HA THR A 55 11.543 63.371 -24.146 1.00 62.12 H new ATOM 0 HB THR A 55 10.054 63.533 -22.166 1.00 4.21 H new ATOM 0 HG1 THR A 55 8.887 65.398 -23.006 1.00 21.43 H new ATOM 0 HG21 THR A 55 9.938 65.653 -20.906 1.00 4.31 H new ATOM 0 HG22 THR A 55 11.484 64.808 -20.655 1.00 4.31 H new ATOM 0 HG23 THR A 55 11.406 66.216 -21.739 1.00 4.31 H new ATOM 802 N GLN A 56 13.641 65.538 -22.892 1.00 32.54 N ATOM 803 CA GLN A 56 14.518 66.654 -23.219 1.00 40.22 C ATOM 804 C GLN A 56 15.376 66.307 -24.433 1.00 42.31 C ATOM 805 O GLN A 56 15.521 67.104 -25.358 1.00 33.50 O ATOM 806 CB GLN A 56 15.414 66.979 -22.024 1.00 24.31 C ATOM 807 CG GLN A 56 15.656 68.462 -21.818 1.00 3.12 C ATOM 808 CD GLN A 56 14.382 69.215 -21.490 1.00 23.51 C ATOM 809 OE1 GLN A 56 13.702 69.730 -22.379 1.00 22.43 O ATOM 810 NE2 GLN A 56 14.037 69.266 -20.213 1.00 51.20 N ATOM 0 H GLN A 56 13.828 65.106 -21.987 1.00 32.54 H new ATOM 0 HA GLN A 56 13.908 67.526 -23.455 1.00 40.22 H new ATOM 0 HB2 GLN A 56 14.962 66.567 -21.122 1.00 24.31 H new ATOM 0 HB3 GLN A 56 16.374 66.480 -22.157 1.00 24.31 H new ATOM 0 HG2 GLN A 56 16.375 68.601 -21.011 1.00 3.12 H new ATOM 0 HG3 GLN A 56 16.102 68.883 -22.719 1.00 3.12 H new ATOM 0 HE21 GLN A 56 14.628 68.827 -19.507 1.00 51.20 H new ATOM 0 HE22 GLN A 56 13.180 69.745 -19.935 1.00 51.20 H new ATOM 819 N ALA A 57 15.919 65.096 -24.423 1.00 43.12 N ATOM 820 CA ALA A 57 16.757 64.614 -25.514 1.00 74.22 C ATOM 821 C ALA A 57 15.958 64.495 -26.810 1.00 13.44 C ATOM 822 O ALA A 57 16.491 64.708 -27.901 1.00 44.41 O ATOM 823 CB ALA A 57 17.385 63.275 -25.148 1.00 32.32 C ATOM 0 H ALA A 57 15.793 64.425 -23.665 1.00 43.12 H new ATOM 0 HA ALA A 57 17.553 65.341 -25.677 1.00 74.22 H new ATOM 0 HB1 ALA A 57 18.008 62.928 -25.972 1.00 32.32 H new ATOM 0 HB2 ALA A 57 17.998 63.393 -24.255 1.00 32.32 H new ATOM 0 HB3 ALA A 57 16.599 62.545 -24.955 1.00 32.32 H new ATOM 829 N ILE A 58 14.678 64.162 -26.686 1.00 52.41 N ATOM 830 CA ILE A 58 13.801 64.064 -27.846 1.00 43.42 C ATOM 831 C ILE A 58 13.604 65.438 -28.486 1.00 42.32 C ATOM 832 O ILE A 58 13.564 65.567 -29.707 1.00 2.22 O ATOM 833 CB ILE A 58 12.425 63.462 -27.472 1.00 4.31 C ATOM 834 CG1 ILE A 58 12.597 62.044 -26.915 1.00 33.32 C ATOM 835 CG2 ILE A 58 11.493 63.449 -28.675 1.00 22.11 C ATOM 836 CD1 ILE A 58 13.301 61.091 -27.861 1.00 75.03 C ATOM 0 H ILE A 58 14.226 63.956 -25.795 1.00 52.41 H new ATOM 0 HA ILE A 58 14.282 63.397 -28.561 1.00 43.42 H new ATOM 0 HB ILE A 58 11.977 64.089 -26.701 1.00 4.31 H new ATOM 0 HG12 ILE A 58 13.160 62.097 -25.983 1.00 33.32 H new ATOM 0 HG13 ILE A 58 11.615 61.639 -26.672 1.00 33.32 H new ATOM 0 HG21 ILE A 58 10.533 63.021 -28.387 1.00 22.11 H new ATOM 0 HG22 ILE A 58 11.344 64.468 -29.031 1.00 22.11 H new ATOM 0 HG23 ILE A 58 11.934 62.848 -29.470 1.00 22.11 H new ATOM 0 HD11 ILE A 58 13.384 60.110 -27.394 1.00 75.03 H new ATOM 0 HD12 ILE A 58 12.729 61.006 -28.785 1.00 75.03 H new ATOM 0 HD13 ILE A 58 14.298 61.471 -28.085 1.00 75.03 H new ATOM 848 N GLN A 59 13.509 66.465 -27.654 1.00 20.32 N ATOM 849 CA GLN A 59 13.345 67.828 -28.140 1.00 43.14 C ATOM 850 C GLN A 59 14.619 68.317 -28.824 1.00 30.01 C ATOM 851 O GLN A 59 14.563 69.001 -29.846 1.00 22.32 O ATOM 852 CB GLN A 59 12.971 68.756 -26.986 1.00 0.24 C ATOM 853 CG GLN A 59 11.642 68.405 -26.346 1.00 33.03 C ATOM 854 CD GLN A 59 11.393 69.163 -25.061 1.00 32.54 C ATOM 855 OE1 GLN A 59 11.848 70.292 -24.886 1.00 24.13 O ATOM 856 NE2 GLN A 59 10.672 68.538 -24.147 1.00 51.23 N ATOM 0 H GLN A 59 13.543 66.381 -26.638 1.00 20.32 H new ATOM 0 HA GLN A 59 12.540 67.837 -28.875 1.00 43.14 H new ATOM 0 HB2 GLN A 59 13.754 68.717 -26.228 1.00 0.24 H new ATOM 0 HB3 GLN A 59 12.932 69.782 -27.351 1.00 0.24 H new ATOM 0 HG2 GLN A 59 10.837 68.618 -27.050 1.00 33.03 H new ATOM 0 HG3 GLN A 59 11.613 67.335 -26.143 1.00 33.03 H new ATOM 0 HE21 GLN A 59 10.313 67.601 -24.333 1.00 51.23 H new ATOM 0 HE22 GLN A 59 10.474 68.992 -23.255 1.00 51.23 H new ATOM 865 N SER A 60 15.764 67.955 -28.263 1.00 51.04 N ATOM 866 CA SER A 60 17.048 68.352 -28.827 1.00 11.41 C ATOM 867 C SER A 60 17.302 67.669 -30.173 1.00 54.31 C ATOM 868 O SER A 60 17.925 68.249 -31.064 1.00 71.15 O ATOM 869 CB SER A 60 18.176 68.024 -27.847 1.00 73.34 C ATOM 870 OG SER A 60 17.968 68.663 -26.598 1.00 3.51 O ATOM 0 H SER A 60 15.831 67.387 -27.418 1.00 51.04 H new ATOM 0 HA SER A 60 17.022 69.428 -28.998 1.00 11.41 H new ATOM 0 HB2 SER A 60 18.234 66.945 -27.702 1.00 73.34 H new ATOM 0 HB3 SER A 60 19.131 68.341 -28.267 1.00 73.34 H new ATOM 0 HG SER A 60 17.205 68.251 -26.143 1.00 3.51 H new ATOM 876 N GLN A 61 16.796 66.449 -30.334 1.00 30.10 N ATOM 877 CA GLN A 61 17.045 65.682 -31.553 1.00 24.42 C ATOM 878 C GLN A 61 16.151 66.159 -32.700 1.00 14.32 C ATOM 879 O GLN A 61 16.349 65.773 -33.852 1.00 1.12 O ATOM 880 CB GLN A 61 16.836 64.183 -31.311 1.00 64.21 C ATOM 881 CG GLN A 61 15.375 63.760 -31.273 1.00 32.32 C ATOM 882 CD GLN A 61 15.188 62.282 -30.990 1.00 64.01 C ATOM 883 OE1 GLN A 61 16.064 61.716 -30.178 1.00 52.54 O flip ATOM 884 NE2 GLN A 61 14.246 61.661 -31.480 1.00 61.52 N flip ATOM 0 H GLN A 61 16.216 65.973 -29.643 1.00 30.10 H new ATOM 0 HA GLN A 61 18.085 65.847 -31.836 1.00 24.42 H new ATOM 0 HB2 GLN A 61 17.345 63.624 -32.096 1.00 64.21 H new ATOM 0 HB3 GLN A 61 17.308 63.909 -30.367 1.00 64.21 H new ATOM 0 HG2 GLN A 61 14.856 64.338 -30.509 1.00 32.32 H new ATOM 0 HG3 GLN A 61 14.908 64.002 -32.228 1.00 32.32 H new ATOM 0 HE21 GLN A 61 13.592 62.135 -32.103 1.00 61.52 H new ATOM 0 HE22 GLN A 61 14.119 60.672 -31.264 1.00 61.52 H new ATOM 893 N ILE A 62 15.186 67.019 -32.382 1.00 25.21 N ATOM 894 CA ILE A 62 14.249 67.528 -33.381 1.00 60.23 C ATOM 895 C ILE A 62 14.997 68.324 -34.442 1.00 4.22 C ATOM 896 O ILE A 62 14.640 68.300 -35.620 1.00 73.53 O ATOM 897 CB ILE A 62 13.159 68.423 -32.741 1.00 31.41 C ATOM 898 CG1 ILE A 62 12.338 67.616 -31.736 1.00 75.12 C ATOM 899 CG2 ILE A 62 12.249 69.029 -33.806 1.00 11.33 C ATOM 900 CD1 ILE A 62 11.278 68.428 -31.019 1.00 54.33 C ATOM 0 H ILE A 62 15.032 67.378 -31.440 1.00 25.21 H new ATOM 0 HA ILE A 62 13.759 66.668 -33.838 1.00 60.23 H new ATOM 0 HB ILE A 62 13.655 69.241 -32.218 1.00 31.41 H new ATOM 0 HG12 ILE A 62 11.857 66.787 -32.256 1.00 75.12 H new ATOM 0 HG13 ILE A 62 13.011 67.181 -30.997 1.00 75.12 H new ATOM 0 HG21 ILE A 62 11.494 69.652 -33.327 1.00 11.33 H new ATOM 0 HG22 ILE A 62 12.843 69.638 -34.488 1.00 11.33 H new ATOM 0 HG23 ILE A 62 11.760 68.230 -34.364 1.00 11.33 H new ATOM 0 HD11 ILE A 62 10.737 67.787 -30.323 1.00 54.33 H new ATOM 0 HD12 ILE A 62 11.752 69.241 -30.470 1.00 54.33 H new ATOM 0 HD13 ILE A 62 10.581 68.841 -31.748 1.00 54.33 H new ATOM 912 N LEU A 63 16.066 68.988 -34.010 1.00 64.35 N ATOM 913 CA LEU A 63 16.883 69.822 -34.887 1.00 53.53 C ATOM 914 C LEU A 63 17.353 69.051 -36.121 1.00 34.31 C ATOM 915 O LEU A 63 17.441 69.609 -37.218 1.00 74.53 O ATOM 916 CB LEU A 63 18.091 70.351 -34.114 1.00 24.15 C ATOM 917 CG LEU A 63 17.759 71.212 -32.891 1.00 14.34 C ATOM 918 CD1 LEU A 63 19.032 71.618 -32.166 1.00 52.54 C ATOM 919 CD2 LEU A 63 16.963 72.442 -33.300 1.00 61.01 C ATOM 0 H LEU A 63 16.390 68.963 -33.043 1.00 64.35 H new ATOM 0 HA LEU A 63 16.268 70.655 -35.229 1.00 53.53 H new ATOM 0 HB2 LEU A 63 18.693 69.503 -33.788 1.00 24.15 H new ATOM 0 HB3 LEU A 63 18.708 70.938 -34.794 1.00 24.15 H new ATOM 0 HG LEU A 63 17.147 70.620 -32.211 1.00 14.34 H new ATOM 0 HD11 LEU A 63 18.778 72.229 -31.300 1.00 52.54 H new ATOM 0 HD12 LEU A 63 19.564 70.725 -31.837 1.00 52.54 H new ATOM 0 HD13 LEU A 63 19.668 72.191 -32.841 1.00 52.54 H new ATOM 0 HD21 LEU A 63 16.738 73.040 -32.417 1.00 61.01 H new ATOM 0 HD22 LEU A 63 17.548 73.037 -34.001 1.00 61.01 H new ATOM 0 HD23 LEU A 63 16.032 72.132 -33.775 1.00 61.01 H new ATOM 931 N GLY A 64 17.653 67.773 -35.934 1.00 54.14 N ATOM 932 CA GLY A 64 18.072 66.942 -37.043 1.00 43.53 C ATOM 933 C GLY A 64 16.951 66.053 -37.540 1.00 42.50 C ATOM 934 O GLY A 64 16.883 65.731 -38.727 1.00 45.41 O ATOM 0 H GLY A 64 17.613 67.297 -35.033 1.00 54.14 H new ATOM 0 HA2 GLY A 64 18.422 67.575 -37.859 1.00 43.53 H new ATOM 0 HA3 GLY A 64 18.915 66.324 -36.735 1.00 43.53 H new ATOM 938 N GLY A 65 16.062 65.674 -36.627 1.00 25.24 N ATOM 939 CA GLY A 65 14.950 64.804 -36.965 1.00 5.50 C ATOM 940 C GLY A 65 14.061 65.376 -38.051 1.00 33.53 C ATOM 941 O GLY A 65 13.538 64.635 -38.885 1.00 11.34 O ATOM 0 H GLY A 65 16.094 65.958 -35.648 1.00 25.24 H new ATOM 0 HA2 GLY A 65 15.337 63.838 -37.291 1.00 5.50 H new ATOM 0 HA3 GLY A 65 14.353 64.623 -36.071 1.00 5.50 H new ATOM 945 N LEU A 66 13.898 66.697 -38.051 1.00 53.33 N ATOM 946 CA LEU A 66 13.093 67.371 -39.064 1.00 72.23 C ATOM 947 C LEU A 66 13.599 67.051 -40.470 1.00 34.12 C ATOM 948 O LEU A 66 12.813 66.862 -41.395 1.00 33.03 O ATOM 949 CB LEU A 66 13.114 68.885 -38.844 1.00 31.31 C ATOM 950 CG LEU A 66 12.488 69.369 -37.532 1.00 64.21 C ATOM 951 CD1 LEU A 66 12.577 70.884 -37.430 1.00 22.03 C ATOM 952 CD2 LEU A 66 11.040 68.910 -37.429 1.00 65.03 C ATOM 0 H LEU A 66 14.314 67.321 -37.360 1.00 53.33 H new ATOM 0 HA LEU A 66 12.070 67.008 -38.970 1.00 72.23 H new ATOM 0 HB2 LEU A 66 14.149 69.226 -38.880 1.00 31.31 H new ATOM 0 HB3 LEU A 66 12.592 69.363 -39.673 1.00 31.31 H new ATOM 0 HG LEU A 66 13.045 68.934 -36.702 1.00 64.21 H new ATOM 0 HD11 LEU A 66 12.128 71.213 -36.493 1.00 22.03 H new ATOM 0 HD12 LEU A 66 13.623 71.190 -37.458 1.00 22.03 H new ATOM 0 HD13 LEU A 66 12.044 71.337 -38.266 1.00 22.03 H new ATOM 0 HD21 LEU A 66 10.612 69.263 -36.491 1.00 65.03 H new ATOM 0 HD22 LEU A 66 10.469 69.317 -38.264 1.00 65.03 H new ATOM 0 HD23 LEU A 66 11.000 67.821 -37.459 1.00 65.03 H new ATOM 964 N LEU A 67 14.916 66.976 -40.618 1.00 53.21 N ATOM 965 CA LEU A 67 15.524 66.688 -41.910 1.00 64.45 C ATOM 966 C LEU A 67 15.399 65.206 -42.239 1.00 60.43 C ATOM 967 O LEU A 67 15.139 64.829 -43.382 1.00 44.24 O ATOM 968 CB LEU A 67 16.999 67.102 -41.910 1.00 51.43 C ATOM 969 CG LEU A 67 17.261 68.588 -41.664 1.00 3.00 C ATOM 970 CD1 LEU A 67 18.756 68.862 -41.623 1.00 70.32 C ATOM 971 CD2 LEU A 67 16.595 69.433 -42.741 1.00 22.21 C ATOM 0 H LEU A 67 15.583 67.111 -39.858 1.00 53.21 H new ATOM 0 HA LEU A 67 14.997 67.262 -42.673 1.00 64.45 H new ATOM 0 HB2 LEU A 67 17.521 66.527 -41.145 1.00 51.43 H new ATOM 0 HB3 LEU A 67 17.436 66.827 -42.870 1.00 51.43 H new ATOM 0 HG LEU A 67 16.832 68.859 -40.699 1.00 3.00 H new ATOM 0 HD11 LEU A 67 18.927 69.924 -41.447 1.00 70.32 H new ATOM 0 HD12 LEU A 67 19.210 68.283 -40.818 1.00 70.32 H new ATOM 0 HD13 LEU A 67 19.205 68.575 -42.574 1.00 70.32 H new ATOM 0 HD21 LEU A 67 16.792 70.488 -42.550 1.00 22.21 H new ATOM 0 HD22 LEU A 67 16.996 69.160 -43.717 1.00 22.21 H new ATOM 0 HD23 LEU A 67 15.519 69.257 -42.728 1.00 22.21 H new ATOM 983 N SER A 68 15.571 64.373 -41.224 1.00 40.32 N ATOM 984 CA SER A 68 15.532 62.929 -41.393 1.00 11.31 C ATOM 985 C SER A 68 14.137 62.449 -41.796 1.00 75.02 C ATOM 986 O SER A 68 13.998 61.553 -42.632 1.00 75.11 O ATOM 987 CB SER A 68 15.975 62.245 -40.099 1.00 0.14 C ATOM 988 OG SER A 68 17.225 62.755 -39.662 1.00 4.11 O ATOM 0 H SER A 68 15.741 64.677 -40.265 1.00 40.32 H new ATOM 0 HA SER A 68 16.218 62.662 -42.197 1.00 11.31 H new ATOM 0 HB2 SER A 68 15.223 62.400 -39.325 1.00 0.14 H new ATOM 0 HB3 SER A 68 16.052 61.169 -40.259 1.00 0.14 H new ATOM 0 HG SER A 68 17.096 63.644 -39.269 1.00 4.11 H new ATOM 994 N ASN A 69 13.107 63.069 -41.228 1.00 22.22 N ATOM 995 CA ASN A 69 11.733 62.633 -41.459 1.00 3.21 C ATOM 996 C ASN A 69 11.219 63.067 -42.829 1.00 33.23 C ATOM 997 O ASN A 69 10.142 62.650 -43.254 1.00 41.32 O ATOM 998 CB ASN A 69 10.806 63.147 -40.352 1.00 53.44 C ATOM 999 CG ASN A 69 11.080 62.480 -39.013 1.00 25.14 C ATOM 1000 OD1 ASN A 69 11.572 61.352 -38.958 1.00 41.35 O ATOM 1001 ND2 ASN A 69 10.752 63.158 -37.923 1.00 2.13 N ATOM 0 H ASN A 69 13.197 63.873 -40.606 1.00 22.22 H new ATOM 0 HA ASN A 69 11.734 61.543 -41.439 1.00 3.21 H new ATOM 0 HB2 ASN A 69 10.929 64.225 -40.250 1.00 53.44 H new ATOM 0 HB3 ASN A 69 9.769 62.970 -40.638 1.00 53.44 H new ATOM 0 HD21 ASN A 69 10.905 62.748 -37.002 1.00 2.13 H new ATOM 0 HD22 ASN A 69 10.346 64.090 -38.005 1.00 2.13 H new ATOM 1008 N ILE A 70 11.986 63.901 -43.526 1.00 71.41 N ATOM 1009 CA ILE A 70 11.624 64.317 -44.879 1.00 54.25 C ATOM 1010 C ILE A 70 11.842 63.170 -45.858 1.00 15.54 C ATOM 1011 O ILE A 70 11.071 62.974 -46.801 1.00 23.53 O ATOM 1012 CB ILE A 70 12.445 65.547 -45.335 1.00 3.10 C ATOM 1013 CG1 ILE A 70 12.142 66.751 -44.442 1.00 23.53 C ATOM 1014 CG2 ILE A 70 12.163 65.883 -46.793 1.00 12.32 C ATOM 1015 CD1 ILE A 70 10.676 67.135 -44.410 1.00 42.43 C ATOM 0 H ILE A 70 12.858 64.301 -43.179 1.00 71.41 H new ATOM 0 HA ILE A 70 10.570 64.595 -44.866 1.00 54.25 H new ATOM 0 HB ILE A 70 13.503 65.300 -45.244 1.00 3.10 H new ATOM 0 HG12 ILE A 70 12.473 66.531 -43.427 1.00 23.53 H new ATOM 0 HG13 ILE A 70 12.724 67.605 -44.789 1.00 23.53 H new ATOM 0 HG21 ILE A 70 12.753 66.751 -47.087 1.00 12.32 H new ATOM 0 HG22 ILE A 70 12.431 65.033 -47.421 1.00 12.32 H new ATOM 0 HG23 ILE A 70 11.103 66.106 -46.917 1.00 12.32 H new ATOM 0 HD11 ILE A 70 10.540 67.996 -43.756 1.00 42.43 H new ATOM 0 HD12 ILE A 70 10.344 67.388 -45.417 1.00 42.43 H new ATOM 0 HD13 ILE A 70 10.089 66.297 -44.034 1.00 42.43 H new ATOM 1027 N ASN A 71 12.886 62.393 -45.606 1.00 10.14 N ATOM 1028 CA ASN A 71 13.261 61.291 -46.486 1.00 44.34 C ATOM 1029 C ASN A 71 12.223 60.179 -46.432 1.00 55.34 C ATOM 1030 O ASN A 71 12.010 59.475 -47.416 1.00 20.43 O ATOM 1031 CB ASN A 71 14.629 60.726 -46.097 1.00 33.10 C ATOM 1032 CG ASN A 71 15.672 61.805 -45.890 1.00 24.15 C ATOM 1033 OD1 ASN A 71 16.303 62.268 -46.834 1.00 2.11 O ATOM 1034 ND2 ASN A 71 15.876 62.196 -44.644 1.00 61.43 N ATOM 0 H ASN A 71 13.493 62.505 -44.794 1.00 10.14 H new ATOM 0 HA ASN A 71 13.312 61.683 -47.502 1.00 44.34 H new ATOM 0 HB2 ASN A 71 14.529 60.143 -45.181 1.00 33.10 H new ATOM 0 HB3 ASN A 71 14.969 60.042 -46.875 1.00 33.10 H new ATOM 0 HD21 ASN A 71 16.579 62.907 -44.441 1.00 61.43 H new ATOM 0 HD22 ASN A 71 15.331 61.787 -43.885 1.00 61.43 H new ATOM 1041 N THR A 72 11.593 60.037 -45.264 1.00 12.11 N ATOM 1042 CA THR A 72 10.604 58.984 -44.979 1.00 23.30 C ATOM 1043 C THR A 72 11.184 57.580 -45.171 1.00 44.31 C ATOM 1044 O THR A 72 10.459 56.587 -45.130 1.00 44.23 O ATOM 1045 CB THR A 72 9.293 59.130 -45.806 1.00 2.13 C ATOM 1046 OG1 THR A 72 9.528 58.950 -47.210 1.00 14.23 O ATOM 1047 CG2 THR A 72 8.653 60.491 -45.571 1.00 53.31 C ATOM 0 H THR A 72 11.756 60.660 -44.473 1.00 12.11 H new ATOM 0 HA THR A 72 10.346 59.118 -43.928 1.00 23.30 H new ATOM 0 HB THR A 72 8.614 58.348 -45.466 1.00 2.13 H new ATOM 0 HG1 THR A 72 10.478 58.765 -47.362 1.00 14.23 H new ATOM 0 HG21 THR A 72 7.739 60.570 -46.159 1.00 53.31 H new ATOM 0 HG22 THR A 72 8.415 60.603 -44.513 1.00 53.31 H new ATOM 0 HG23 THR A 72 9.347 61.276 -45.872 1.00 53.31 H new ATOM 1055 N GLY A 73 12.497 57.505 -45.352 1.00 3.13 N ATOM 1056 CA GLY A 73 13.150 56.229 -45.537 1.00 42.41 C ATOM 1057 C GLY A 73 13.463 55.570 -44.215 1.00 24.53 C ATOM 1058 O GLY A 73 14.501 55.842 -43.613 1.00 71.02 O ATOM 0 H GLY A 73 13.121 58.311 -45.374 1.00 3.13 H new ATOM 0 HA2 GLY A 73 12.510 55.574 -46.129 1.00 42.41 H new ATOM 0 HA3 GLY A 73 14.072 56.369 -46.102 1.00 42.41 H new ATOM 1062 N LYS A 74 12.545 54.736 -43.749 1.00 31.51 N ATOM 1063 CA LYS A 74 12.730 54.017 -42.497 1.00 51.44 C ATOM 1064 C LYS A 74 14.022 53.202 -42.503 1.00 44.43 C ATOM 1065 O LYS A 74 14.422 52.648 -43.533 1.00 24.01 O ATOM 1066 CB LYS A 74 11.508 53.128 -42.184 1.00 23.21 C ATOM 1067 CG LYS A 74 10.824 52.502 -43.400 1.00 4.23 C ATOM 1068 CD LYS A 74 11.672 51.435 -44.078 1.00 20.20 C ATOM 1069 CE LYS A 74 11.009 50.929 -45.351 1.00 35.24 C ATOM 1070 NZ LYS A 74 11.815 49.877 -46.024 1.00 22.45 N1+ ATOM 0 H LYS A 74 11.662 54.540 -44.221 1.00 31.51 H new ATOM 0 HA LYS A 74 12.818 54.757 -41.702 1.00 51.44 H new ATOM 0 HB2 LYS A 74 11.824 52.328 -41.514 1.00 23.21 H new ATOM 0 HB3 LYS A 74 10.774 53.726 -41.643 1.00 23.21 H new ATOM 0 HG2 LYS A 74 9.876 52.062 -43.090 1.00 4.23 H new ATOM 0 HG3 LYS A 74 10.591 53.285 -44.121 1.00 4.23 H new ATOM 0 HD2 LYS A 74 12.654 51.844 -44.315 1.00 20.20 H new ATOM 0 HD3 LYS A 74 11.830 50.603 -43.392 1.00 20.20 H new ATOM 0 HE2 LYS A 74 10.023 50.531 -45.112 1.00 35.24 H new ATOM 0 HE3 LYS A 74 10.858 51.763 -46.036 1.00 35.24 H new ATOM 0 HZ1 LYS A 74 11.325 49.562 -46.886 1.00 22.45 H new ATOM 0 HZ2 LYS A 74 12.747 50.263 -46.277 1.00 22.45 H new ATOM 0 HZ3 LYS A 74 11.937 49.069 -45.381 1.00 22.45 H new ATOM 1084 N PRO A 75 14.697 53.135 -41.348 1.00 62.34 N ATOM 1085 CA PRO A 75 15.953 52.415 -41.212 1.00 2.31 C ATOM 1086 C PRO A 75 15.743 50.926 -40.974 1.00 25.45 C ATOM 1087 O PRO A 75 14.621 50.469 -40.746 1.00 34.43 O ATOM 1088 CB PRO A 75 16.590 53.076 -39.989 1.00 60.25 C ATOM 1089 CG PRO A 75 15.437 53.490 -39.140 1.00 23.21 C ATOM 1090 CD PRO A 75 14.291 53.773 -40.078 1.00 65.03 C ATOM 0 HA PRO A 75 16.564 52.468 -42.113 1.00 2.31 H new ATOM 0 HB2 PRO A 75 17.243 52.383 -39.459 1.00 60.25 H new ATOM 0 HB3 PRO A 75 17.200 53.933 -40.275 1.00 60.25 H new ATOM 0 HG2 PRO A 75 15.174 52.703 -38.433 1.00 23.21 H new ATOM 0 HG3 PRO A 75 15.685 54.375 -38.554 1.00 23.21 H new ATOM 0 HD2 PRO A 75 13.357 53.355 -39.703 1.00 65.03 H new ATOM 0 HD3 PRO A 75 14.134 54.844 -40.203 1.00 65.03 H new ATOM 1098 N GLY A 76 16.826 50.174 -41.034 1.00 12.10 N ATOM 1099 CA GLY A 76 16.744 48.751 -40.819 1.00 14.01 C ATOM 1100 C GLY A 76 17.985 48.197 -40.162 1.00 13.34 C ATOM 1101 O GLY A 76 18.813 47.569 -40.819 1.00 72.12 O ATOM 0 H GLY A 76 17.763 50.526 -41.229 1.00 12.10 H new ATOM 0 HA2 GLY A 76 15.877 48.529 -40.197 1.00 14.01 H new ATOM 0 HA3 GLY A 76 16.587 48.250 -41.774 1.00 14.01 H new ATOM 1105 N ARG A 77 18.135 48.451 -38.872 1.00 2.44 N ATOM 1106 CA ARG A 77 19.233 47.866 -38.115 1.00 13.33 C ATOM 1107 C ARG A 77 18.874 46.437 -37.712 1.00 22.11 C ATOM 1108 O ARG A 77 18.104 46.209 -36.777 1.00 0.25 O ATOM 1109 CB ARG A 77 19.579 48.712 -36.879 1.00 21.41 C ATOM 1110 CG ARG A 77 18.401 48.988 -35.957 1.00 30.43 C ATOM 1111 CD ARG A 77 18.863 49.557 -34.625 1.00 20.32 C ATOM 1112 NE ARG A 77 17.748 49.798 -33.711 1.00 45.02 N ATOM 1113 CZ ARG A 77 17.589 49.164 -32.546 1.00 1.11 C ATOM 1114 NH1 ARG A 77 18.462 48.235 -32.161 1.00 21.40 N1+ ATOM 1115 NH2 ARG A 77 16.553 49.465 -31.766 1.00 14.15 N ATOM 0 H ARG A 77 17.516 49.053 -38.329 1.00 2.44 H new ATOM 0 HA ARG A 77 20.119 47.847 -38.750 1.00 13.33 H new ATOM 0 HB2 ARG A 77 20.358 48.202 -36.311 1.00 21.41 H new ATOM 0 HB3 ARG A 77 19.996 49.663 -37.210 1.00 21.41 H new ATOM 0 HG2 ARG A 77 17.718 49.689 -36.437 1.00 30.43 H new ATOM 0 HG3 ARG A 77 17.845 48.066 -35.788 1.00 30.43 H new ATOM 0 HD2 ARG A 77 19.568 48.866 -34.162 1.00 20.32 H new ATOM 0 HD3 ARG A 77 19.398 50.491 -34.797 1.00 20.32 H new ATOM 0 HE ARG A 77 17.050 50.492 -33.979 1.00 45.02 H new ATOM 0 HH11 ARG A 77 19.257 48.004 -32.757 1.00 21.40 H new ATOM 0 HH12 ARG A 77 18.336 47.754 -31.270 1.00 21.40 H new ATOM 0 HH21 ARG A 77 15.884 50.177 -32.059 1.00 14.15 H new ATOM 0 HH22 ARG A 77 16.428 48.983 -30.876 1.00 14.15 H new ATOM 1129 N MET A 78 19.410 45.477 -38.446 1.00 12.00 N ATOM 1130 CA MET A 78 19.090 44.079 -38.217 1.00 2.03 C ATOM 1131 C MET A 78 20.258 43.353 -37.561 1.00 70.13 C ATOM 1132 O MET A 78 21.299 43.127 -38.187 1.00 44.34 O ATOM 1133 CB MET A 78 18.712 43.396 -39.535 1.00 63.14 C ATOM 1134 CG MET A 78 18.315 41.936 -39.369 1.00 52.15 C ATOM 1135 SD MET A 78 17.818 41.167 -40.921 1.00 73.31 S ATOM 1136 CE MET A 78 19.328 41.318 -41.871 1.00 35.54 C ATOM 0 H MET A 78 20.070 45.641 -39.207 1.00 12.00 H new ATOM 0 HA MET A 78 18.237 44.033 -37.540 1.00 2.03 H new ATOM 0 HB2 MET A 78 17.885 43.939 -39.993 1.00 63.14 H new ATOM 0 HB3 MET A 78 19.555 43.459 -40.223 1.00 63.14 H new ATOM 0 HG2 MET A 78 19.153 41.382 -38.946 1.00 52.15 H new ATOM 0 HG3 MET A 78 17.494 41.866 -38.655 1.00 52.15 H new ATOM 0 HE1 MET A 78 19.180 42.035 -42.678 1.00 35.54 H new ATOM 0 HE2 MET A 78 20.133 41.663 -41.222 1.00 35.54 H new ATOM 0 HE3 MET A 78 19.592 40.348 -42.292 1.00 35.54 H new ATOM 1146 N VAL A 79 20.086 43.002 -36.295 1.00 63.22 N ATOM 1147 CA VAL A 79 21.087 42.230 -35.578 1.00 53.31 C ATOM 1148 C VAL A 79 21.116 40.808 -36.122 1.00 34.33 C ATOM 1149 O VAL A 79 20.233 40.001 -35.838 1.00 23.05 O ATOM 1150 CB VAL A 79 20.810 42.196 -34.059 1.00 51.15 C ATOM 1151 CG1 VAL A 79 21.909 41.440 -33.322 1.00 62.34 C ATOM 1152 CG2 VAL A 79 20.669 43.606 -33.508 1.00 20.14 C ATOM 0 H VAL A 79 19.262 43.240 -35.744 1.00 63.22 H new ATOM 0 HA VAL A 79 22.052 42.713 -35.729 1.00 53.31 H new ATOM 0 HB VAL A 79 19.870 41.668 -33.899 1.00 51.15 H new ATOM 0 HG11 VAL A 79 21.691 41.430 -32.254 1.00 62.34 H new ATOM 0 HG12 VAL A 79 21.957 40.416 -33.692 1.00 62.34 H new ATOM 0 HG13 VAL A 79 22.866 41.932 -33.492 1.00 62.34 H new ATOM 0 HG21 VAL A 79 20.474 43.560 -32.437 1.00 20.14 H new ATOM 0 HG22 VAL A 79 21.591 44.160 -33.686 1.00 20.14 H new ATOM 0 HG23 VAL A 79 19.841 44.110 -34.006 1.00 20.14 H new ATOM 1162 N THR A 80 22.115 40.519 -36.931 1.00 24.24 N ATOM 1163 CA THR A 80 22.227 39.225 -37.566 1.00 43.31 C ATOM 1164 C THR A 80 23.395 38.454 -36.955 1.00 22.22 C ATOM 1165 O THR A 80 24.271 39.050 -36.329 1.00 20.53 O ATOM 1166 CB THR A 80 22.431 39.401 -39.084 1.00 4.42 C ATOM 1167 OG1 THR A 80 21.638 40.500 -39.554 1.00 23.43 O ATOM 1168 CG2 THR A 80 22.031 38.145 -39.841 1.00 23.11 C ATOM 0 H THR A 80 22.865 41.169 -37.164 1.00 24.24 H new ATOM 0 HA THR A 80 21.309 38.660 -37.403 1.00 43.31 H new ATOM 0 HB THR A 80 23.489 39.595 -39.261 1.00 4.42 H new ATOM 0 HG1 THR A 80 22.102 41.342 -39.366 1.00 23.43 H new ATOM 0 HG21 THR A 80 22.186 38.299 -40.909 1.00 23.11 H new ATOM 0 HG22 THR A 80 22.641 37.307 -39.503 1.00 23.11 H new ATOM 0 HG23 THR A 80 20.979 37.927 -39.655 1.00 23.11 H new ATOM 1176 N ASN A 81 23.390 37.135 -37.109 1.00 12.13 N ATOM 1177 CA ASN A 81 24.447 36.298 -36.551 1.00 13.33 C ATOM 1178 C ASN A 81 25.763 36.565 -37.272 1.00 53.52 C ATOM 1179 O ASN A 81 26.797 36.778 -36.645 1.00 72.31 O ATOM 1180 CB ASN A 81 24.058 34.815 -36.669 1.00 31.34 C ATOM 1181 CG ASN A 81 24.996 33.861 -35.931 1.00 23.22 C ATOM 1182 OD1 ASN A 81 26.194 34.099 -35.806 1.00 55.05 O ATOM 1183 ND2 ASN A 81 24.441 32.766 -35.434 1.00 51.02 N ATOM 0 H ASN A 81 22.668 36.622 -37.615 1.00 12.13 H new ATOM 0 HA ASN A 81 24.576 36.542 -35.496 1.00 13.33 H new ATOM 0 HB2 ASN A 81 23.047 34.684 -36.283 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.034 34.540 -37.723 1.00 31.34 H new ATOM 0 HD21 ASN A 81 25.012 32.089 -34.929 1.00 51.02 H new ATOM 0 HD22 ASN A 81 23.442 32.600 -35.556 1.00 51.02 H new ATOM 1190 N ASP A 82 25.703 36.589 -38.595 1.00 32.11 N ATOM 1191 CA ASP A 82 26.898 36.749 -39.417 1.00 24.13 C ATOM 1192 C ASP A 82 27.464 38.172 -39.373 1.00 61.51 C ATOM 1193 O ASP A 82 28.682 38.347 -39.384 1.00 75.51 O ATOM 1194 CB ASP A 82 26.613 36.333 -40.867 1.00 23.52 C ATOM 1195 CG ASP A 82 25.275 36.833 -41.376 1.00 72.21 C ATOM 1196 OD1 ASP A 82 24.252 36.161 -41.109 1.00 63.25 O ATOM 1197 OD2 ASP A 82 25.234 37.887 -42.043 1.00 30.43 O1- ATOM 0 H ASP A 82 24.837 36.499 -39.126 1.00 32.11 H new ATOM 0 HA ASP A 82 27.659 36.092 -38.995 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.406 36.714 -41.511 1.00 23.52 H new ATOM 0 HB3 ASP A 82 26.639 35.246 -40.939 1.00 23.52 H new ATOM 1202 N TYR A 83 26.594 39.178 -39.298 1.00 2.10 N ATOM 1203 CA TYR A 83 27.020 40.582 -39.341 1.00 61.22 C ATOM 1204 C TYR A 83 25.979 41.482 -38.699 1.00 25.13 C ATOM 1205 O TYR A 83 24.861 41.055 -38.421 1.00 35.42 O ATOM 1206 CB TYR A 83 27.226 41.071 -40.782 1.00 22.35 C ATOM 1207 CG TYR A 83 28.412 40.473 -41.504 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.226 39.691 -42.633 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.711 40.685 -41.057 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.300 39.140 -43.303 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.791 40.138 -41.722 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.580 39.362 -42.842 1.00 0.23 C ATOM 1213 OH TYR A 83 31.654 38.813 -43.509 1.00 35.22 O ATOM 0 H TYR A 83 25.586 39.049 -39.207 1.00 2.10 H new ATOM 0 HA TYR A 83 27.963 40.633 -38.796 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.325 40.852 -41.355 1.00 22.35 H new ATOM 0 HB3 TYR A 83 27.339 42.155 -40.768 1.00 22.35 H new ATOM 0 HD1 TYR A 83 27.225 39.510 -42.995 1.00 54.31 H new ATOM 0 HD2 TYR A 83 29.878 41.287 -40.176 1.00 61.31 H new ATOM 0 HE1 TYR A 83 29.138 38.538 -44.185 1.00 54.50 H new ATOM 0 HE2 TYR A 83 31.795 40.317 -41.367 1.00 43.02 H new ATOM 0 HH TYR A 83 32.437 39.393 -43.401 1.00 35.22 H new ATOM 1223 N ILE A 84 26.348 42.732 -38.478 1.00 71.04 N ATOM 1224 CA ILE A 84 25.391 43.742 -38.074 1.00 33.43 C ATOM 1225 C ILE A 84 24.959 44.542 -39.291 1.00 24.33 C ATOM 1226 O ILE A 84 25.674 45.434 -39.749 1.00 13.30 O ATOM 1227 CB ILE A 84 25.969 44.694 -37.006 1.00 35.11 C ATOM 1228 CG1 ILE A 84 26.381 43.901 -35.765 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.953 45.770 -36.642 1.00 63.41 C ATOM 1230 CD1 ILE A 84 25.264 43.048 -35.208 1.00 21.15 C ATOM 0 H ILE A 84 27.306 43.070 -38.572 1.00 71.04 H new ATOM 0 HA ILE A 84 24.535 43.233 -37.632 1.00 33.43 H new ATOM 0 HB ILE A 84 26.852 45.185 -37.416 1.00 35.11 H new ATOM 0 HG12 ILE A 84 27.228 43.262 -36.014 1.00 70.51 H new ATOM 0 HG13 ILE A 84 26.720 44.594 -34.995 1.00 70.51 H new ATOM 0 HG21 ILE A 84 25.378 46.432 -35.888 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.701 46.348 -37.531 1.00 63.41 H new ATOM 0 HG23 ILE A 84 24.052 45.301 -36.247 1.00 63.41 H new ATOM 0 HD11 ILE A 84 25.620 42.511 -34.329 1.00 21.15 H new ATOM 0 HD12 ILE A 84 24.425 43.685 -34.929 1.00 21.15 H new ATOM 0 HD13 ILE A 84 24.941 42.333 -35.964 1.00 21.15 H new ATOM 1242 N VAL A 85 23.808 44.193 -39.834 1.00 45.21 N ATOM 1243 CA VAL A 85 23.300 44.850 -41.021 1.00 41.00 C ATOM 1244 C VAL A 85 22.537 46.109 -40.638 1.00 52.13 C ATOM 1245 O VAL A 85 21.359 46.051 -40.289 1.00 43.50 O ATOM 1246 CB VAL A 85 22.382 43.913 -41.840 1.00 62.43 C ATOM 1247 CG1 VAL A 85 21.947 44.577 -43.137 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.078 42.591 -42.125 1.00 64.33 C ATOM 0 H VAL A 85 23.206 43.455 -39.469 1.00 45.21 H new ATOM 0 HA VAL A 85 24.155 45.116 -41.643 1.00 41.00 H new ATOM 0 HB VAL A 85 21.491 43.711 -41.245 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.302 43.898 -43.695 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.401 45.493 -42.911 1.00 1.04 H new ATOM 0 HG13 VAL A 85 22.826 44.817 -43.736 1.00 1.04 H new ATOM 0 HG21 VAL A 85 22.414 41.947 -42.702 1.00 64.33 H new ATOM 0 HG22 VAL A 85 23.990 42.775 -42.693 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.330 42.102 -41.184 1.00 64.33 H new ATOM 1258 N ASP A 86 23.227 47.237 -40.659 1.00 31.13 N ATOM 1259 CA ASP A 86 22.596 48.508 -40.355 1.00 20.21 C ATOM 1260 C ASP A 86 22.227 49.233 -41.633 1.00 24.31 C ATOM 1261 O ASP A 86 23.084 49.782 -42.327 1.00 74.51 O ATOM 1262 CB ASP A 86 23.510 49.386 -39.497 1.00 4.42 C ATOM 1263 CG ASP A 86 22.883 50.731 -39.175 1.00 33.31 C ATOM 1264 OD1 ASP A 86 21.970 50.780 -38.323 1.00 21.44 O ATOM 1265 OD2 ASP A 86 23.309 51.749 -39.752 1.00 45.22 O1- ATOM 0 H ASP A 86 24.220 47.298 -40.883 1.00 31.13 H new ATOM 0 HA ASP A 86 21.688 48.305 -39.788 1.00 20.21 H new ATOM 0 HB2 ASP A 86 23.743 48.865 -38.568 1.00 4.42 H new ATOM 0 HB3 ASP A 86 24.454 49.544 -40.020 1.00 4.42 H new ATOM 1270 N ILE A 87 20.952 49.187 -41.968 1.00 70.13 N ATOM 1271 CA ILE A 87 20.449 49.918 -43.110 1.00 11.31 C ATOM 1272 C ILE A 87 20.040 51.320 -42.677 1.00 5.45 C ATOM 1273 O ILE A 87 19.041 51.497 -41.979 1.00 31.44 O ATOM 1274 CB ILE A 87 19.245 49.201 -43.763 1.00 73.15 C ATOM 1275 CG1 ILE A 87 19.624 47.766 -44.143 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.767 49.971 -44.988 1.00 33.35 C ATOM 1277 CD1 ILE A 87 18.472 46.959 -44.705 1.00 31.30 C ATOM 0 H ILE A 87 20.247 48.650 -41.464 1.00 70.13 H new ATOM 0 HA ILE A 87 21.246 49.974 -43.852 1.00 11.31 H new ATOM 0 HB ILE A 87 18.429 49.164 -43.042 1.00 73.15 H new ATOM 0 HG12 ILE A 87 20.428 47.795 -44.878 1.00 41.53 H new ATOM 0 HG13 ILE A 87 20.016 47.258 -43.262 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.919 49.453 -45.436 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.463 50.975 -44.691 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.577 50.037 -45.715 1.00 33.35 H new ATOM 0 HD11 ILE A 87 18.817 45.955 -44.951 1.00 31.30 H new ATOM 0 HD12 ILE A 87 17.675 46.898 -43.964 1.00 31.30 H new ATOM 0 HD13 ILE A 87 18.094 47.443 -45.605 1.00 31.30 H new ATOM 1289 N ALA A 88 20.840 52.303 -43.048 1.00 34.53 N ATOM 1290 CA ALA A 88 20.548 53.688 -42.716 1.00 21.21 C ATOM 1291 C ALA A 88 20.073 54.437 -43.954 1.00 23.43 C ATOM 1292 O ALA A 88 20.279 53.972 -45.073 1.00 54.14 O ATOM 1293 CB ALA A 88 21.782 54.358 -42.127 1.00 40.44 C ATOM 0 H ALA A 88 21.699 52.169 -43.581 1.00 34.53 H new ATOM 0 HA ALA A 88 19.752 53.712 -41.971 1.00 21.21 H new ATOM 0 HB1 ALA A 88 21.551 55.395 -41.882 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.086 53.831 -41.223 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.594 54.329 -42.854 1.00 40.44 H new ATOM 1299 N ASN A 89 19.435 55.579 -43.760 1.00 52.24 N ATOM 1300 CA ASN A 89 18.974 56.391 -44.877 1.00 21.13 C ATOM 1301 C ASN A 89 19.238 57.863 -44.604 1.00 22.12 C ATOM 1302 O ASN A 89 18.811 58.402 -43.583 1.00 62.21 O ATOM 1303 CB ASN A 89 17.480 56.169 -45.137 1.00 44.43 C ATOM 1304 CG ASN A 89 16.986 56.932 -46.355 1.00 51.24 C ATOM 1305 OD1 ASN A 89 17.025 56.289 -47.511 1.00 34.21 O flip ATOM 1306 ND2 ASN A 89 16.570 58.087 -46.260 1.00 52.10 N flip ATOM 0 H ASN A 89 19.224 55.966 -42.840 1.00 52.24 H new ATOM 0 HA ASN A 89 19.528 56.087 -45.765 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.292 55.104 -45.277 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.911 56.480 -44.261 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.555 58.551 -45.352 1.00 52.10 H new ATOM 0 HD22 ASN A 89 16.240 58.580 -47.090 1.00 52.10 H new ATOM 1313 N ARG A 90 19.965 58.500 -45.506 1.00 34.23 N ATOM 1314 CA ARG A 90 20.234 59.925 -45.408 1.00 61.53 C ATOM 1315 C ARG A 90 20.125 60.565 -46.778 1.00 14.51 C ATOM 1316 O ARG A 90 20.650 60.032 -47.759 1.00 31.12 O ATOM 1317 CB ARG A 90 21.618 60.200 -44.814 1.00 1.00 C ATOM 1318 CG ARG A 90 21.727 59.887 -43.332 1.00 75.44 C ATOM 1319 CD ARG A 90 23.008 60.457 -42.743 1.00 14.21 C ATOM 1320 NE ARG A 90 23.048 61.915 -42.845 1.00 45.22 N ATOM 1321 CZ ARG A 90 24.022 62.674 -42.347 1.00 45.51 C ATOM 1322 NH1 ARG A 90 25.064 62.117 -41.737 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 23.961 63.992 -42.486 1.00 21.12 N ATOM 0 H ARG A 90 20.382 58.049 -46.320 1.00 34.23 H new ATOM 0 HA ARG A 90 19.491 60.360 -44.739 1.00 61.53 H new ATOM 0 HB2 ARG A 90 22.358 59.610 -45.355 1.00 1.00 H new ATOM 0 HB3 ARG A 90 21.868 61.249 -44.973 1.00 1.00 H new ATOM 0 HG2 ARG A 90 20.866 60.300 -42.806 1.00 75.44 H new ATOM 0 HG3 ARG A 90 21.704 58.808 -43.183 1.00 75.44 H new ATOM 0 HD2 ARG A 90 23.090 60.163 -41.697 1.00 14.21 H new ATOM 0 HD3 ARG A 90 23.868 60.032 -43.262 1.00 14.21 H new ATOM 0 HE ARG A 90 22.280 62.381 -43.329 1.00 45.22 H new ATOM 0 HH11 ARG A 90 25.121 61.102 -41.648 1.00 34.45 H new ATOM 0 HH12 ARG A 90 25.807 62.704 -41.358 1.00 34.45 H new ATOM 0 HH21 ARG A 90 23.172 64.418 -42.972 1.00 21.12 H new ATOM 0 HH22 ARG A 90 24.704 64.580 -42.107 1.00 21.12 H new ATOM 1337 N ASP A 91 19.408 61.683 -46.843 1.00 14.33 N ATOM 1338 CA ASP A 91 19.240 62.440 -48.084 1.00 71.02 C ATOM 1339 C ASP A 91 18.475 61.627 -49.122 1.00 43.52 C ATOM 1340 O ASP A 91 18.484 61.946 -50.310 1.00 61.51 O ATOM 1341 CB ASP A 91 20.599 62.886 -48.640 1.00 34.34 C ATOM 1342 CG ASP A 91 21.279 63.903 -47.747 1.00 2.00 C ATOM 1343 OD1 ASP A 91 22.036 63.502 -46.837 1.00 21.24 O ATOM 1344 OD2 ASP A 91 21.054 65.116 -47.946 1.00 32.31 O1- ATOM 0 H ASP A 91 18.928 62.091 -46.041 1.00 14.33 H new ATOM 0 HA ASP A 91 18.655 63.331 -47.855 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.246 62.016 -48.754 1.00 34.34 H new ATOM 0 HB3 ASP A 91 20.460 63.313 -49.633 1.00 34.34 H new ATOM 1349 N GLY A 92 17.796 60.584 -48.659 1.00 75.32 N ATOM 1350 CA GLY A 92 17.009 59.755 -49.541 1.00 62.34 C ATOM 1351 C GLY A 92 17.713 58.465 -49.901 1.00 52.21 C ATOM 1352 O GLY A 92 17.067 57.459 -50.189 1.00 23.30 O ATOM 0 H GLY A 92 17.779 60.299 -47.680 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.056 59.525 -49.065 1.00 62.34 H new ATOM 0 HA3 GLY A 92 16.784 60.310 -50.452 1.00 62.34 H new ATOM 1356 N GLN A 93 19.036 58.484 -49.859 1.00 55.42 N ATOM 1357 CA GLN A 93 19.822 57.333 -50.272 1.00 43.03 C ATOM 1358 C GLN A 93 20.086 56.404 -49.093 1.00 53.23 C ATOM 1359 O GLN A 93 20.331 56.854 -47.970 1.00 62.41 O ATOM 1360 CB GLN A 93 21.150 57.786 -50.890 1.00 32.14 C ATOM 1361 CG GLN A 93 21.023 58.913 -51.915 1.00 62.32 C ATOM 1362 CD GLN A 93 20.610 58.462 -53.313 1.00 5.43 C ATOM 1363 OE1 GLN A 93 19.845 57.387 -53.416 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 20.985 59.086 -54.303 1.00 33.20 N flip ATOM 0 H GLN A 93 19.587 59.282 -49.544 1.00 55.42 H new ATOM 0 HA GLN A 93 19.251 56.786 -51.022 1.00 43.03 H new ATOM 0 HB2 GLN A 93 21.815 58.113 -50.091 1.00 32.14 H new ATOM 0 HB3 GLN A 93 21.624 56.929 -51.369 1.00 32.14 H new ATOM 0 HG2 GLN A 93 20.293 59.636 -51.551 1.00 62.32 H new ATOM 0 HG3 GLN A 93 21.979 59.432 -51.983 1.00 62.32 H new ATOM 0 HE21 GLN A 93 21.574 59.911 -54.193 1.00 33.20 H new ATOM 0 HE22 GLN A 93 20.707 58.779 -55.235 1.00 33.20 H new ATOM 1373 N LEU A 94 20.025 55.108 -49.358 1.00 22.14 N ATOM 1374 CA LEU A 94 20.274 54.103 -48.336 1.00 50.31 C ATOM 1375 C LEU A 94 21.769 53.895 -48.142 1.00 43.43 C ATOM 1376 O LEU A 94 22.547 53.976 -49.092 1.00 52.24 O ATOM 1377 CB LEU A 94 19.614 52.765 -48.705 1.00 41.23 C ATOM 1378 CG LEU A 94 18.099 52.672 -48.479 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.754 52.937 -47.023 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.343 53.628 -49.391 1.00 42.11 C ATOM 0 H LEU A 94 19.804 54.726 -50.278 1.00 22.14 H new ATOM 0 HA LEU A 94 19.838 54.465 -47.405 1.00 50.31 H new ATOM 0 HB2 LEU A 94 19.817 52.561 -49.756 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.096 51.975 -48.129 1.00 41.23 H new ATOM 0 HG LEU A 94 17.789 51.657 -48.728 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.675 52.866 -46.886 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.249 52.199 -46.392 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.090 53.936 -46.746 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.273 53.537 -49.206 1.00 42.11 H new ATOM 0 HD22 LEU A 94 17.661 54.651 -49.189 1.00 42.11 H new ATOM 0 HD23 LEU A 94 17.553 53.381 -50.432 1.00 42.11 H new ATOM 1392 N GLN A 95 22.162 53.640 -46.910 1.00 22.34 N ATOM 1393 CA GLN A 95 23.540 53.328 -46.594 1.00 52.10 C ATOM 1394 C GLN A 95 23.609 51.975 -45.905 1.00 55.53 C ATOM 1395 O GLN A 95 23.186 51.828 -44.758 1.00 20.22 O ATOM 1396 CB GLN A 95 24.149 54.423 -45.713 1.00 54.30 C ATOM 1397 CG GLN A 95 25.606 54.183 -45.350 1.00 4.25 C ATOM 1398 CD GLN A 95 26.263 55.382 -44.684 1.00 5.40 C ATOM 1399 OE1 GLN A 95 27.113 55.228 -43.809 1.00 14.41 O ATOM 1400 NE2 GLN A 95 25.908 56.584 -45.119 1.00 5.31 N ATOM 0 H GLN A 95 21.538 53.643 -46.103 1.00 22.34 H new ATOM 0 HA GLN A 95 24.119 53.282 -47.516 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.066 55.379 -46.230 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.565 54.505 -44.796 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.671 53.324 -44.682 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.161 53.927 -46.253 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.199 56.674 -45.847 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.344 57.418 -44.726 1.00 5.31 H new ATOM 1409 N LEU A 96 24.109 50.985 -46.626 1.00 75.11 N ATOM 1410 CA LEU A 96 24.254 49.645 -46.090 1.00 53.33 C ATOM 1411 C LEU A 96 25.534 49.562 -45.277 1.00 12.32 C ATOM 1412 O LEU A 96 26.628 49.432 -45.828 1.00 51.50 O ATOM 1413 CB LEU A 96 24.278 48.613 -47.222 1.00 11.23 C ATOM 1414 CG LEU A 96 24.434 47.157 -46.777 1.00 54.15 C ATOM 1415 CD1 LEU A 96 23.214 46.699 -45.995 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.667 46.259 -47.982 1.00 11.35 C ATOM 0 H LEU A 96 24.423 51.087 -47.591 1.00 75.11 H new ATOM 0 HA LEU A 96 23.402 49.425 -45.446 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.354 48.704 -47.794 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.097 48.859 -47.898 1.00 11.23 H new ATOM 0 HG LEU A 96 25.302 47.088 -46.121 1.00 54.15 H new ATOM 0 HD11 LEU A 96 23.347 45.661 -45.689 1.00 12.31 H new ATOM 0 HD12 LEU A 96 23.092 47.325 -45.111 1.00 12.31 H new ATOM 0 HD13 LEU A 96 22.327 46.781 -46.623 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.776 45.226 -47.651 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.818 46.334 -48.661 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.574 46.572 -48.499 1.00 11.35 H new ATOM 1428 N ASN A 97 25.403 49.676 -43.970 1.00 24.34 N ATOM 1429 CA ASN A 97 26.560 49.674 -43.096 1.00 24.31 C ATOM 1430 C ASN A 97 26.644 48.370 -42.321 1.00 43.41 C ATOM 1431 O ASN A 97 26.043 48.218 -41.256 1.00 33.42 O ATOM 1432 CB ASN A 97 26.502 50.869 -42.144 1.00 32.34 C ATOM 1433 CG ASN A 97 27.719 50.969 -41.242 1.00 4.11 C ATOM 1434 OD1 ASN A 97 28.822 50.548 -41.601 1.00 11.22 O ATOM 1435 ND2 ASN A 97 27.523 51.553 -40.069 1.00 2.51 N ATOM 0 H ASN A 97 24.508 49.771 -43.490 1.00 24.34 H new ATOM 0 HA ASN A 97 27.459 49.761 -43.706 1.00 24.31 H new ATOM 0 HB2 ASN A 97 26.412 51.786 -42.726 1.00 32.34 H new ATOM 0 HB3 ASN A 97 25.606 50.793 -41.528 1.00 32.34 H new ATOM 0 HD21 ASN A 97 28.302 51.670 -39.421 1.00 2.51 H new ATOM 0 HD22 ASN A 97 26.593 51.886 -39.814 1.00 2.51 H new ATOM 1442 N VAL A 98 27.365 47.415 -42.883 1.00 45.14 N ATOM 1443 CA VAL A 98 27.589 46.142 -42.223 1.00 72.02 C ATOM 1444 C VAL A 98 28.742 46.262 -41.240 1.00 15.31 C ATOM 1445 O VAL A 98 29.906 46.400 -41.627 1.00 42.35 O ATOM 1446 CB VAL A 98 27.873 45.000 -43.233 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.503 43.800 -42.544 1.00 50.42 C ATOM 1448 CG2 VAL A 98 26.593 44.577 -43.936 1.00 24.02 C ATOM 0 H VAL A 98 27.807 47.499 -43.799 1.00 45.14 H new ATOM 0 HA VAL A 98 26.674 45.887 -41.689 1.00 72.02 H new ATOM 0 HB VAL A 98 28.577 45.382 -43.973 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.690 43.016 -43.278 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.445 44.098 -42.083 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.826 43.424 -41.776 1.00 50.42 H new ATOM 0 HG21 VAL A 98 26.813 43.775 -44.641 1.00 24.02 H new ATOM 0 HG22 VAL A 98 25.872 44.225 -43.198 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.175 45.428 -44.474 1.00 24.02 H new ATOM 1458 N THR A 99 28.404 46.246 -39.970 1.00 13.53 N ATOM 1459 CA THR A 99 29.398 46.252 -38.927 1.00 63.52 C ATOM 1460 C THR A 99 29.745 44.817 -38.570 1.00 34.14 C ATOM 1461 O THR A 99 28.905 44.072 -38.060 1.00 52.04 O ATOM 1462 CB THR A 99 28.886 47.010 -37.692 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.399 48.296 -38.092 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.990 47.180 -36.659 1.00 64.32 C ATOM 0 H THR A 99 27.440 46.229 -39.636 1.00 13.53 H new ATOM 0 HA THR A 99 30.292 46.765 -39.281 1.00 63.52 H new ATOM 0 HB THR A 99 28.081 46.431 -37.239 1.00 15.12 H new ATOM 0 HG1 THR A 99 28.070 48.780 -37.306 1.00 32.14 H new ATOM 0 HG21 THR A 99 29.601 47.719 -35.796 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.347 46.200 -36.343 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.814 47.743 -37.097 1.00 64.32 H new ATOM 1472 N ASP A 100 30.964 44.420 -38.897 1.00 61.11 N ATOM 1473 CA ASP A 100 31.409 43.056 -38.668 1.00 23.41 C ATOM 1474 C ASP A 100 31.376 42.709 -37.187 1.00 63.40 C ATOM 1475 O ASP A 100 31.835 43.479 -36.345 1.00 62.23 O ATOM 1476 CB ASP A 100 32.815 42.854 -39.224 1.00 14.41 C ATOM 1477 CG ASP A 100 33.379 41.493 -38.894 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.579 41.415 -38.584 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.617 40.506 -38.910 1.00 11.31 O1- ATOM 0 H ASP A 100 31.665 45.026 -39.323 1.00 61.11 H new ATOM 0 HA ASP A 100 30.723 42.388 -39.189 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.796 42.983 -40.306 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.475 43.624 -38.823 1.00 14.41 H new ATOM 1484 N ARG A 101 30.826 41.544 -36.886 1.00 1.22 N ATOM 1485 CA ARG A 101 30.686 41.085 -35.511 1.00 70.42 C ATOM 1486 C ARG A 101 31.861 40.189 -35.125 1.00 41.44 C ATOM 1487 O ARG A 101 32.012 39.806 -33.966 1.00 3.54 O ATOM 1488 CB ARG A 101 29.340 40.354 -35.341 1.00 70.04 C ATOM 1489 CG ARG A 101 29.112 39.218 -36.330 1.00 12.41 C ATOM 1490 CD ARG A 101 29.836 37.943 -35.922 1.00 13.24 C ATOM 1491 NE ARG A 101 29.803 36.939 -36.983 1.00 14.53 N ATOM 1492 CZ ARG A 101 29.754 35.626 -36.770 1.00 32.32 C ATOM 1493 NH1 ARG A 101 29.735 35.146 -35.532 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 29.734 34.793 -37.802 1.00 52.25 N ATOM 0 H ARG A 101 30.465 40.892 -37.583 1.00 1.22 H new ATOM 0 HA ARG A 101 30.695 41.945 -34.841 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.282 39.955 -34.328 1.00 70.04 H new ATOM 0 HB3 ARG A 101 28.532 41.078 -35.445 1.00 70.04 H new ATOM 0 HG2 ARG A 101 28.044 39.017 -36.409 1.00 12.41 H new ATOM 0 HG3 ARG A 101 29.452 39.526 -37.319 1.00 12.41 H new ATOM 0 HD2 ARG A 101 30.871 38.176 -35.674 1.00 13.24 H new ATOM 0 HD3 ARG A 101 29.376 37.536 -35.021 1.00 13.24 H new ATOM 0 HE ARG A 101 29.819 37.265 -37.949 1.00 14.53 H new ATOM 0 HH11 ARG A 101 29.758 35.785 -34.737 1.00 20.33 H new ATOM 0 HH12 ARG A 101 29.697 34.139 -35.376 1.00 20.33 H new ATOM 0 HH21 ARG A 101 29.756 35.159 -38.754 1.00 52.25 H new ATOM 0 HH22 ARG A 101 29.696 33.786 -37.644 1.00 52.25 H new ATOM 1508 N LYS A 102 32.688 39.854 -36.113 1.00 25.22 N ATOM 1509 CA LYS A 102 33.844 38.994 -35.890 1.00 51.24 C ATOM 1510 C LYS A 102 35.053 39.821 -35.459 1.00 24.03 C ATOM 1511 O LYS A 102 35.454 39.798 -34.297 1.00 61.52 O ATOM 1512 CB LYS A 102 34.173 38.206 -37.163 1.00 63.24 C ATOM 1513 CG LYS A 102 33.042 37.300 -37.626 1.00 64.00 C ATOM 1514 CD LYS A 102 33.327 36.677 -38.985 1.00 42.35 C ATOM 1515 CE LYS A 102 33.378 37.727 -40.084 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.584 37.120 -41.426 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.577 40.167 -37.077 1.00 25.22 H new ATOM 0 HA LYS A 102 33.601 38.292 -35.093 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.417 38.907 -37.962 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.063 37.602 -36.987 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.887 36.510 -36.891 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.117 37.874 -37.678 1.00 64.00 H new ATOM 0 HD2 LYS A 102 34.276 36.142 -38.948 1.00 42.35 H new ATOM 0 HD3 LYS A 102 32.556 35.943 -39.218 1.00 42.35 H new ATOM 0 HE2 LYS A 102 32.450 38.298 -40.083 1.00 32.33 H new ATOM 0 HE3 LYS A 102 34.185 38.430 -39.876 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 33.006 37.625 -42.128 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 34.588 37.191 -41.689 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 33.302 36.119 -41.401 1.00 73.14 H new ATOM 1530 N THR A 103 35.615 40.569 -36.395 1.00 32.11 N ATOM 1531 CA THR A 103 36.782 41.393 -36.125 1.00 65.25 C ATOM 1532 C THR A 103 36.368 42.833 -35.848 1.00 51.12 C ATOM 1533 O THR A 103 37.045 43.555 -35.110 1.00 72.12 O ATOM 1534 CB THR A 103 37.776 41.355 -37.304 1.00 3.51 C ATOM 1535 OG1 THR A 103 37.129 41.762 -38.519 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.352 39.960 -37.482 1.00 15.44 C ATOM 0 H THR A 103 35.278 40.622 -37.356 1.00 32.11 H new ATOM 0 HA THR A 103 37.276 40.987 -35.242 1.00 65.25 H new ATOM 0 HB THR A 103 38.588 42.046 -37.078 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.176 41.912 -38.348 1.00 71.14 H new ATOM 0 HG21 THR A 103 39.050 39.959 -38.319 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.875 39.664 -36.573 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.544 39.256 -37.682 1.00 15.44 H new ATOM 1544 N GLY A 104 35.252 43.242 -36.441 1.00 65.24 N ATOM 1545 CA GLY A 104 34.727 44.575 -36.211 1.00 42.41 C ATOM 1546 C GLY A 104 35.018 45.527 -37.352 1.00 24.42 C ATOM 1547 O GLY A 104 35.022 46.746 -37.170 1.00 13.23 O ATOM 0 H GLY A 104 34.699 42.671 -37.080 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.649 44.515 -36.061 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.155 44.975 -35.292 1.00 42.41 H new ATOM 1551 N GLN A 105 35.255 44.975 -38.530 1.00 51.35 N ATOM 1552 CA GLN A 105 35.505 45.779 -39.715 1.00 72.04 C ATOM 1553 C GLN A 105 34.209 46.416 -40.214 1.00 12.40 C ATOM 1554 O GLN A 105 33.181 45.745 -40.330 1.00 64.30 O ATOM 1555 CB GLN A 105 36.139 44.916 -40.809 1.00 71.44 C ATOM 1556 CG GLN A 105 37.552 44.462 -40.479 1.00 11.23 C ATOM 1557 CD GLN A 105 38.095 43.457 -41.476 1.00 44.43 C ATOM 1558 OE1 GLN A 105 38.680 43.826 -42.495 1.00 42.45 O ATOM 1559 NE2 GLN A 105 37.934 42.181 -41.174 1.00 23.32 N ATOM 0 H GLN A 105 35.280 43.968 -38.692 1.00 51.35 H new ATOM 0 HA GLN A 105 36.198 46.579 -39.456 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.514 44.039 -40.977 1.00 71.44 H new ATOM 0 HB3 GLN A 105 36.155 45.480 -41.742 1.00 71.44 H new ATOM 0 HG2 GLN A 105 38.210 45.330 -40.450 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.563 44.021 -39.482 1.00 11.23 H new ATOM 0 HE21 GLN A 105 37.443 41.917 -40.320 1.00 23.32 H new ATOM 0 HE22 GLN A 105 38.301 41.460 -41.795 1.00 23.32 H new ATOM 1568 N THR A 106 34.254 47.710 -40.489 1.00 25.35 N ATOM 1569 CA THR A 106 33.073 48.439 -40.924 1.00 43.25 C ATOM 1570 C THR A 106 32.949 48.452 -42.444 1.00 44.11 C ATOM 1571 O THR A 106 33.728 49.102 -43.143 1.00 33.22 O ATOM 1572 CB THR A 106 33.083 49.884 -40.385 1.00 61.32 C ATOM 1573 OG1 THR A 106 34.397 50.447 -40.505 1.00 1.35 O ATOM 1574 CG2 THR A 106 32.642 49.922 -38.930 1.00 5.13 C ATOM 0 H THR A 106 35.098 48.278 -40.418 1.00 25.35 H new ATOM 0 HA THR A 106 32.208 47.917 -40.515 1.00 43.25 H new ATOM 0 HB THR A 106 32.382 50.472 -40.977 1.00 61.32 H new ATOM 0 HG1 THR A 106 34.766 50.232 -41.387 1.00 1.35 H new ATOM 0 HG21 THR A 106 32.657 50.951 -38.572 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.631 49.523 -38.846 1.00 5.13 H new ATOM 0 HG23 THR A 106 33.321 49.319 -38.328 1.00 5.13 H new ATOM 1582 N SER A 107 31.976 47.711 -42.950 1.00 30.10 N ATOM 1583 CA SER A 107 31.712 47.685 -44.374 1.00 71.15 C ATOM 1584 C SER A 107 30.581 48.659 -44.695 1.00 42.21 C ATOM 1585 O SER A 107 29.405 48.290 -44.709 1.00 53.14 O ATOM 1586 CB SER A 107 31.357 46.267 -44.838 1.00 62.32 C ATOM 1587 OG SER A 107 31.371 46.169 -46.254 1.00 35.01 O ATOM 0 H SER A 107 31.358 47.121 -42.393 1.00 30.10 H new ATOM 0 HA SER A 107 32.611 47.991 -44.909 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.066 45.555 -44.415 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.371 45.995 -44.462 1.00 62.32 H new ATOM 0 HG SER A 107 31.143 45.254 -46.521 1.00 35.01 H new ATOM 1593 N THR A 108 30.948 49.917 -44.900 1.00 61.34 N ATOM 1594 CA THR A 108 29.985 50.959 -45.208 1.00 45.01 C ATOM 1595 C THR A 108 29.809 51.101 -46.718 1.00 51.14 C ATOM 1596 O THR A 108 30.680 51.631 -47.413 1.00 24.12 O ATOM 1597 CB THR A 108 30.430 52.308 -44.605 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.584 52.186 -43.181 1.00 42.23 O ATOM 1599 CG2 THR A 108 29.424 53.406 -44.918 1.00 12.31 C ATOM 0 H THR A 108 31.915 50.240 -44.857 1.00 61.34 H new ATOM 0 HA THR A 108 29.030 50.674 -44.767 1.00 45.01 H new ATOM 0 HB THR A 108 31.387 52.578 -45.053 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.882 51.602 -42.825 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.763 54.345 -44.481 1.00 12.31 H new ATOM 0 HG22 THR A 108 29.334 53.520 -45.998 1.00 12.31 H new ATOM 0 HG23 THR A 108 28.453 53.140 -44.499 1.00 12.31 H new ATOM 1607 N ILE A 109 28.691 50.601 -47.221 1.00 13.34 N ATOM 1608 CA ILE A 109 28.401 50.649 -48.645 1.00 55.11 C ATOM 1609 C ILE A 109 27.172 51.514 -48.911 1.00 14.15 C ATOM 1610 O ILE A 109 26.045 51.107 -48.632 1.00 1.14 O ATOM 1611 CB ILE A 109 28.158 49.235 -49.214 1.00 61.20 C ATOM 1612 CG1 ILE A 109 29.326 48.309 -48.855 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.975 49.299 -50.726 1.00 4.42 C ATOM 1614 CD1 ILE A 109 29.104 46.867 -49.259 1.00 12.41 C ATOM 0 H ILE A 109 27.966 50.155 -46.660 1.00 13.34 H new ATOM 0 HA ILE A 109 29.269 51.084 -49.141 1.00 55.11 H new ATOM 0 HB ILE A 109 27.248 48.832 -48.771 1.00 61.20 H new ATOM 0 HG12 ILE A 109 30.232 48.677 -49.337 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.497 48.354 -47.779 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.804 48.295 -51.115 1.00 4.42 H new ATOM 0 HG22 ILE A 109 27.118 49.930 -50.962 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.871 49.718 -51.184 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.971 46.272 -48.973 1.00 12.41 H new ATOM 0 HD12 ILE A 109 28.217 46.481 -48.757 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.964 46.809 -50.338 1.00 12.41 H new ATOM 1626 N GLN A 110 27.391 52.716 -49.423 1.00 42.43 N ATOM 1627 CA GLN A 110 26.286 53.585 -49.800 1.00 3.53 C ATOM 1628 C GLN A 110 25.581 53.024 -51.025 1.00 10.22 C ATOM 1629 O GLN A 110 26.230 52.609 -51.984 1.00 61.10 O ATOM 1630 CB GLN A 110 26.777 55.002 -50.088 1.00 51.25 C ATOM 1631 CG GLN A 110 27.365 55.703 -48.877 1.00 2.41 C ATOM 1632 CD GLN A 110 27.712 57.149 -49.168 1.00 4.14 C ATOM 1633 OE1 GLN A 110 27.078 57.790 -50.005 1.00 23.33 O ATOM 1634 NE2 GLN A 110 28.711 57.674 -48.478 1.00 32.10 N ATOM 0 H GLN A 110 28.318 53.110 -49.586 1.00 42.43 H new ATOM 0 HA GLN A 110 25.586 53.628 -48.966 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.530 54.963 -50.875 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.946 55.594 -50.471 1.00 51.25 H new ATOM 0 HG2 GLN A 110 26.653 55.660 -48.053 1.00 2.41 H new ATOM 0 HG3 GLN A 110 28.261 55.174 -48.552 1.00 2.41 H new ATOM 0 HE21 GLN A 110 29.211 57.107 -47.793 1.00 32.10 H new ATOM 0 HE22 GLN A 110 28.981 58.646 -48.631 1.00 32.10 H new ATOM 1643 N VAL A 111 24.260 52.996 -50.984 1.00 22.34 N ATOM 1644 CA VAL A 111 23.475 52.482 -52.093 1.00 74.24 C ATOM 1645 C VAL A 111 23.176 53.602 -53.084 1.00 21.00 C ATOM 1646 O VAL A 111 22.209 54.351 -52.927 1.00 75.11 O ATOM 1647 CB VAL A 111 22.155 51.846 -51.606 1.00 73.33 C ATOM 1648 CG1 VAL A 111 21.370 51.263 -52.770 1.00 13.23 C ATOM 1649 CG2 VAL A 111 22.433 50.777 -50.561 1.00 44.35 C ATOM 0 H VAL A 111 23.707 53.324 -50.192 1.00 22.34 H new ATOM 0 HA VAL A 111 24.061 51.706 -52.585 1.00 74.24 H new ATOM 0 HB VAL A 111 21.550 52.629 -51.149 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.445 50.821 -52.400 1.00 13.23 H new ATOM 0 HG12 VAL A 111 21.135 52.054 -53.483 1.00 13.23 H new ATOM 0 HG13 VAL A 111 21.967 50.496 -53.263 1.00 13.23 H new ATOM 0 HG21 VAL A 111 21.492 50.339 -50.229 1.00 44.35 H new ATOM 0 HG22 VAL A 111 23.062 49.999 -50.994 1.00 44.35 H new ATOM 0 HG23 VAL A 111 22.945 51.225 -49.710 1.00 44.35 H new ATOM 1659 N SER A 112 24.028 53.715 -54.093 1.00 13.43 N ATOM 1660 CA SER A 112 23.922 54.784 -55.074 1.00 25.44 C ATOM 1661 C SER A 112 24.870 54.537 -56.243 1.00 41.43 C ATOM 1662 O SER A 112 24.508 54.735 -57.405 1.00 54.32 O ATOM 1663 CB SER A 112 24.235 56.131 -54.413 1.00 73.52 C ATOM 1664 OG SER A 112 25.440 56.064 -53.664 1.00 50.04 O ATOM 0 H SER A 112 24.805 53.074 -54.254 1.00 13.43 H new ATOM 0 HA SER A 112 22.902 54.804 -55.459 1.00 25.44 H new ATOM 0 HB2 SER A 112 24.320 56.904 -55.177 1.00 73.52 H new ATOM 0 HB3 SER A 112 23.412 56.419 -53.759 1.00 73.52 H new ATOM 0 HG SER A 112 25.619 56.936 -53.254 1.00 50.04 H new ATOM 1670 N GLY A 113 26.078 54.090 -55.929 1.00 3.12 N ATOM 1671 CA GLY A 113 27.075 53.848 -56.950 1.00 51.54 C ATOM 1672 C GLY A 113 28.081 54.973 -57.014 1.00 51.43 C ATOM 1673 O GLY A 113 27.968 55.868 -57.854 1.00 53.21 O ATOM 0 H GLY A 113 26.386 53.890 -54.977 1.00 3.12 H new ATOM 0 HA2 GLY A 113 27.589 52.909 -56.744 1.00 51.54 H new ATOM 0 HA3 GLY A 113 26.587 53.738 -57.919 1.00 51.54 H new ATOM 1677 N LEU A 114 29.060 54.935 -56.125 1.00 24.32 N ATOM 1678 CA LEU A 114 30.033 56.009 -56.020 1.00 41.32 C ATOM 1679 C LEU A 114 31.132 55.842 -57.056 1.00 21.34 C ATOM 1680 O LEU A 114 31.205 56.621 -58.007 1.00 34.33 O ATOM 1681 CB LEU A 114 30.637 56.052 -54.613 1.00 64.43 C ATOM 1682 CG LEU A 114 29.639 56.311 -53.482 1.00 3.52 C ATOM 1683 CD1 LEU A 114 30.341 56.270 -52.135 1.00 71.24 C ATOM 1684 CD2 LEU A 114 28.937 57.649 -53.678 1.00 25.04 C ATOM 0 H LEU A 114 29.202 54.171 -55.465 1.00 24.32 H new ATOM 0 HA LEU A 114 29.519 56.951 -56.209 1.00 41.32 H new ATOM 0 HB2 LEU A 114 31.140 55.104 -54.422 1.00 64.43 H new ATOM 0 HB3 LEU A 114 31.401 56.829 -54.587 1.00 64.43 H new ATOM 0 HG LEU A 114 28.885 55.524 -53.504 1.00 3.52 H new ATOM 0 HD11 LEU A 114 29.617 56.456 -51.342 1.00 71.24 H new ATOM 0 HD12 LEU A 114 30.794 55.289 -51.990 1.00 71.24 H new ATOM 0 HD13 LEU A 114 31.116 57.035 -52.105 1.00 71.24 H new ATOM 0 HD21 LEU A 114 28.232 57.813 -52.863 1.00 25.04 H new ATOM 0 HD22 LEU A 114 29.676 58.450 -53.685 1.00 25.04 H new ATOM 0 HD23 LEU A 114 28.400 57.643 -54.626 1.00 25.04 H new ATOM 1696 N GLN A 115 31.971 54.816 -56.857 1.00 45.34 N ATOM 1697 CA GLN A 115 33.132 54.525 -57.717 1.00 40.42 C ATOM 1698 C GLN A 115 33.922 55.795 -58.049 1.00 4.04 C ATOM 1699 O GLN A 115 34.506 55.919 -59.128 1.00 53.53 O ATOM 1700 CB GLN A 115 32.712 53.779 -58.998 1.00 34.14 C ATOM 1701 CG GLN A 115 31.894 54.595 -59.990 1.00 25.34 C ATOM 1702 CD GLN A 115 31.506 53.801 -61.218 1.00 62.34 C ATOM 1703 OE1 GLN A 115 31.311 52.585 -61.152 1.00 30.31 O ATOM 1704 NE2 GLN A 115 31.404 54.476 -62.351 1.00 61.02 N ATOM 0 H GLN A 115 31.864 54.156 -56.087 1.00 45.34 H new ATOM 0 HA GLN A 115 33.793 53.867 -57.153 1.00 40.42 H new ATOM 0 HB2 GLN A 115 33.610 53.421 -59.501 1.00 34.14 H new ATOM 0 HB3 GLN A 115 32.135 52.899 -58.713 1.00 34.14 H new ATOM 0 HG2 GLN A 115 30.992 54.960 -59.498 1.00 25.34 H new ATOM 0 HG3 GLN A 115 32.467 55.471 -60.294 1.00 25.34 H new ATOM 0 HE21 GLN A 115 31.574 55.482 -62.362 1.00 61.02 H new ATOM 0 HE22 GLN A 115 31.156 53.991 -63.213 1.00 61.02 H new ATOM 1713 N ASN A 116 33.958 56.718 -57.093 1.00 43.54 N ATOM 1714 CA ASN A 116 34.618 58.004 -57.281 1.00 10.42 C ATOM 1715 C ASN A 116 36.125 57.832 -57.389 1.00 30.14 C ATOM 1716 O ASN A 116 36.728 58.236 -58.385 1.00 42.14 O ATOM 1717 CB ASN A 116 34.284 58.954 -56.126 1.00 13.45 C ATOM 1718 CG ASN A 116 32.822 59.366 -56.093 1.00 41.32 C ATOM 1719 OD1 ASN A 116 32.214 59.536 -57.258 1.00 22.52 O flip ATOM 1720 ND2 ASN A 116 32.249 59.553 -55.020 1.00 63.44 N flip ATOM 0 H ASN A 116 33.534 56.597 -56.173 1.00 43.54 H new ATOM 0 HA ASN A 116 34.250 58.435 -58.212 1.00 10.42 H new ATOM 0 HB2 ASN A 116 34.540 58.472 -55.182 1.00 13.45 H new ATOM 0 HB3 ASN A 116 34.904 59.846 -56.207 1.00 13.45 H new ATOM 0 HD21 ASN A 116 32.750 59.412 -54.143 1.00 63.44 H new ATOM 0 HD22 ASN A 116 31.273 59.849 -55.008 1.00 63.44 H new ATOM 1727 N ASN A 117 36.718 57.234 -56.357 1.00 33.24 N ATOM 1728 CA ASN A 117 38.163 56.978 -56.302 1.00 2.33 C ATOM 1729 C ASN A 117 38.959 58.277 -56.286 1.00 51.41 C ATOM 1730 O ASN A 117 38.403 59.365 -56.467 1.00 1.42 O ATOM 1731 CB ASN A 117 38.618 56.111 -57.483 1.00 61.13 C ATOM 1732 CG ASN A 117 37.906 54.774 -57.549 1.00 30.42 C ATOM 1733 OD1 ASN A 117 37.509 54.214 -56.528 1.00 34.24 O ATOM 1734 ND2 ASN A 117 37.741 54.254 -58.755 1.00 5.04 N ATOM 0 H ASN A 117 36.212 56.911 -55.532 1.00 33.24 H new ATOM 0 HA ASN A 117 38.355 56.440 -55.374 1.00 2.33 H new ATOM 0 HB2 ASN A 117 38.445 56.654 -58.412 1.00 61.13 H new ATOM 0 HB3 ASN A 117 39.692 55.941 -57.408 1.00 61.13 H new ATOM 0 HD21 ASN A 117 37.269 53.356 -58.863 1.00 5.04 H new ATOM 0 HD22 ASN A 117 38.085 54.751 -59.576 1.00 5.04 H new ATOM 1741 N SER A 118 40.264 58.154 -56.055 1.00 14.15 N ATOM 1742 CA SER A 118 41.170 59.295 -56.069 1.00 75.22 C ATOM 1743 C SER A 118 40.761 60.324 -55.013 1.00 42.11 C ATOM 1744 O SER A 118 40.122 59.970 -54.019 1.00 3.43 O ATOM 1745 CB SER A 118 41.183 59.922 -57.467 1.00 22.31 C ATOM 1746 OG SER A 118 41.480 58.944 -58.459 1.00 43.44 O ATOM 0 H SER A 118 40.720 57.264 -55.854 1.00 14.15 H new ATOM 0 HA SER A 118 42.176 58.954 -55.826 1.00 75.22 H new ATOM 0 HB2 SER A 118 40.214 60.375 -57.676 1.00 22.31 H new ATOM 0 HB3 SER A 118 41.923 60.721 -57.505 1.00 22.31 H new ATOM 0 HG SER A 118 41.481 59.365 -59.344 1.00 43.44 H new ATOM 1752 N THR A 119 41.156 61.579 -55.232 1.00 1.13 N ATOM 1753 CA THR A 119 40.811 62.712 -54.369 1.00 11.34 C ATOM 1754 C THR A 119 41.278 62.520 -52.926 1.00 73.20 C ATOM 1755 O THR A 119 40.707 61.737 -52.163 1.00 53.00 O ATOM 1756 CB THR A 119 39.298 63.065 -54.405 1.00 14.15 C ATOM 1757 OG1 THR A 119 38.479 61.935 -54.070 1.00 61.21 O ATOM 1758 CG2 THR A 119 38.901 63.581 -55.781 1.00 31.13 C ATOM 0 H THR A 119 41.736 61.842 -56.029 1.00 1.13 H new ATOM 0 HA THR A 119 41.356 63.558 -54.787 1.00 11.34 H new ATOM 0 HB THR A 119 39.134 63.843 -53.659 1.00 14.15 H new ATOM 0 HG1 THR A 119 39.037 61.232 -53.676 1.00 61.21 H new ATOM 0 HG21 THR A 119 37.838 63.823 -55.786 1.00 31.13 H new ATOM 0 HG22 THR A 119 39.478 64.476 -56.014 1.00 31.13 H new ATOM 0 HG23 THR A 119 39.102 62.814 -56.529 1.00 31.13 H new ATOM 1766 N ASP A 120 42.339 63.249 -52.584 1.00 14.24 N ATOM 1767 CA ASP A 120 42.906 63.269 -51.238 1.00 62.41 C ATOM 1768 C ASP A 120 43.685 61.994 -50.924 1.00 11.22 C ATOM 1769 O ASP A 120 43.148 60.887 -50.949 1.00 34.13 O ATOM 1770 CB ASP A 120 41.828 63.503 -50.180 1.00 21.11 C ATOM 1771 CG ASP A 120 42.408 63.564 -48.788 1.00 5.01 C ATOM 1772 OD1 ASP A 120 42.770 64.673 -48.340 1.00 42.22 O ATOM 1773 OD2 ASP A 120 42.511 62.508 -48.130 1.00 22.14 O1- ATOM 0 H ASP A 120 42.835 63.850 -53.243 1.00 14.24 H new ATOM 0 HA ASP A 120 43.606 64.104 -51.210 1.00 62.41 H new ATOM 0 HB2 ASP A 120 41.304 64.434 -50.396 1.00 21.11 H new ATOM 0 HB3 ASP A 120 41.090 62.703 -50.231 1.00 21.11 H new ATOM 1778 N PHE A 121 44.960 62.168 -50.623 1.00 13.21 N ATOM 1779 CA PHE A 121 45.842 61.060 -50.298 1.00 25.12 C ATOM 1780 C PHE A 121 46.917 61.538 -49.332 1.00 43.12 C ATOM 1781 O PHE A 121 48.063 61.089 -49.373 1.00 24.43 O ATOM 1782 CB PHE A 121 46.466 60.476 -51.580 1.00 11.52 C ATOM 1783 CG PHE A 121 46.992 61.510 -52.543 1.00 23.13 C ATOM 1784 CD1 PHE A 121 48.301 61.959 -52.460 1.00 75.24 C ATOM 1785 CD2 PHE A 121 46.175 62.024 -53.540 1.00 41.35 C ATOM 1786 CE1 PHE A 121 48.782 62.902 -53.348 1.00 60.15 C ATOM 1787 CE2 PHE A 121 46.653 62.967 -54.430 1.00 43.42 C ATOM 1788 CZ PHE A 121 47.958 63.407 -54.333 1.00 30.42 C ATOM 0 H PHE A 121 45.413 63.081 -50.597 1.00 13.21 H new ATOM 0 HA PHE A 121 45.268 60.266 -49.819 1.00 25.12 H new ATOM 0 HB2 PHE A 121 47.281 59.809 -51.301 1.00 11.52 H new ATOM 0 HB3 PHE A 121 45.718 59.869 -52.090 1.00 11.52 H new ATOM 0 HD1 PHE A 121 48.952 61.567 -51.693 1.00 75.24 H new ATOM 0 HD2 PHE A 121 45.153 61.683 -53.621 1.00 41.35 H new ATOM 0 HE1 PHE A 121 49.804 63.244 -53.271 1.00 60.15 H new ATOM 0 HE2 PHE A 121 46.006 63.359 -55.201 1.00 43.42 H new ATOM 0 HZ PHE A 121 48.333 64.145 -55.027 1.00 30.42 H new ATOM 1798 N HIS A 122 46.515 62.427 -48.430 1.00 74.33 N ATOM 1799 CA HIS A 122 47.455 63.129 -47.566 1.00 33.51 C ATOM 1800 C HIS A 122 47.953 62.253 -46.414 1.00 61.51 C ATOM 1801 O HIS A 122 49.069 62.443 -45.941 1.00 44.21 O ATOM 1802 CB HIS A 122 46.832 64.433 -47.021 1.00 14.54 C ATOM 1803 CG HIS A 122 45.723 64.251 -46.011 1.00 14.41 C ATOM 1804 ND1 HIS A 122 44.383 64.317 -46.332 1.00 72.31 N ATOM 1805 CD2 HIS A 122 45.769 64.028 -44.673 1.00 55.51 C ATOM 1806 CE1 HIS A 122 43.660 64.145 -45.241 1.00 74.34 C ATOM 1807 NE2 HIS A 122 44.477 63.967 -44.225 1.00 72.12 N ATOM 0 H HIS A 122 45.538 62.679 -48.278 1.00 74.33 H new ATOM 0 HA HIS A 122 48.320 63.380 -48.179 1.00 33.51 H new ATOM 0 HB2 HIS A 122 47.622 65.029 -46.564 1.00 14.54 H new ATOM 0 HB3 HIS A 122 46.444 65.009 -47.861 1.00 14.54 H new ATOM 0 HD1 HIS A 122 44.009 64.474 -47.268 1.00 72.31 H new ATOM 0 HD2 HIS A 122 46.660 63.919 -44.073 1.00 55.51 H new ATOM 0 HE1 HIS A 122 42.581 64.150 -45.191 1.00 74.34 H new ATOM 1816 N HIS A 123 47.128 61.303 -45.970 1.00 41.22 N ATOM 1817 CA HIS A 123 47.428 60.486 -44.781 1.00 40.20 C ATOM 1818 C HIS A 123 47.501 61.360 -43.525 1.00 14.21 C ATOM 1819 O HIS A 123 46.504 61.529 -42.825 1.00 55.44 O ATOM 1820 CB HIS A 123 48.731 59.687 -44.943 1.00 64.15 C ATOM 1821 CG HIS A 123 48.596 58.462 -45.792 1.00 33.35 C ATOM 1822 ND1 HIS A 123 48.371 57.209 -45.267 1.00 51.31 N ATOM 1823 CD2 HIS A 123 48.671 58.296 -47.134 1.00 23.32 C ATOM 1824 CE1 HIS A 123 48.316 56.328 -46.244 1.00 62.03 C ATOM 1825 NE2 HIS A 123 48.493 56.958 -47.388 1.00 11.12 N ATOM 0 H HIS A 123 46.239 61.075 -46.416 1.00 41.22 H new ATOM 0 HA HIS A 123 46.612 59.772 -44.672 1.00 40.20 H new ATOM 0 HB2 HIS A 123 49.491 60.336 -45.379 1.00 64.15 H new ATOM 0 HB3 HIS A 123 49.090 59.394 -43.956 1.00 64.15 H new ATOM 0 HD2 HIS A 123 48.839 59.071 -47.867 1.00 23.32 H new ATOM 0 HE1 HIS A 123 48.153 55.267 -46.127 1.00 62.03 H new ATOM 0 HE2 HIS A 123 48.497 56.523 -48.311 1.00 11.12 H new ATOM 1834 N HIS A 124 48.670 61.935 -43.262 1.00 75.21 N ATOM 1835 CA HIS A 124 48.836 62.866 -42.148 1.00 61.31 C ATOM 1836 C HIS A 124 49.354 64.197 -42.682 1.00 45.43 C ATOM 1837 O HIS A 124 49.836 65.036 -41.929 1.00 72.22 O ATOM 1838 CB HIS A 124 49.794 62.301 -41.078 1.00 55.11 C ATOM 1839 CG HIS A 124 51.258 62.349 -41.440 1.00 30.43 C ATOM 1840 ND1 HIS A 124 52.063 63.428 -41.147 1.00 72.32 N ATOM 1841 CD2 HIS A 124 52.058 61.446 -42.058 1.00 11.23 C ATOM 1842 CE1 HIS A 124 53.289 63.190 -41.568 1.00 60.11 C ATOM 1843 NE2 HIS A 124 53.318 61.994 -42.126 1.00 42.31 N ATOM 0 H HIS A 124 49.518 61.773 -43.805 1.00 75.21 H new ATOM 0 HA HIS A 124 47.868 63.015 -41.669 1.00 61.31 H new ATOM 0 HB2 HIS A 124 49.646 62.856 -40.151 1.00 55.11 H new ATOM 0 HB3 HIS A 124 49.519 61.266 -40.877 1.00 55.11 H new ATOM 0 HD2 HIS A 124 51.761 60.476 -42.428 1.00 11.23 H new ATOM 0 HE1 HIS A 124 54.130 63.861 -41.472 1.00 60.11 H new ATOM 0 HE2 HIS A 124 54.138 61.550 -42.539 1.00 42.31 H new ATOM 1852 N HIS A 125 49.227 64.349 -44.003 1.00 33.11 N ATOM 1853 CA HIS A 125 49.735 65.489 -44.781 1.00 42.42 C ATOM 1854 C HIS A 125 51.247 65.676 -44.626 1.00 12.25 C ATOM 1855 O HIS A 125 51.760 66.005 -43.560 1.00 65.23 O ATOM 1856 CB HIS A 125 48.949 66.809 -44.541 1.00 11.44 C ATOM 1857 CG HIS A 125 49.064 67.448 -43.182 1.00 60.43 C ATOM 1858 ND1 HIS A 125 48.055 67.401 -42.241 1.00 71.41 N ATOM 1859 CD2 HIS A 125 50.058 68.177 -42.619 1.00 3.32 C ATOM 1860 CE1 HIS A 125 48.425 68.071 -41.168 1.00 54.41 C ATOM 1861 NE2 HIS A 125 49.633 68.548 -41.371 1.00 54.24 N ATOM 0 H HIS A 125 48.751 63.659 -44.584 1.00 33.11 H new ATOM 0 HA HIS A 125 49.554 65.229 -45.824 1.00 42.42 H new ATOM 0 HB2 HIS A 125 49.277 67.536 -45.284 1.00 11.44 H new ATOM 0 HB3 HIS A 125 47.894 66.612 -44.732 1.00 11.44 H new ATOM 0 HD2 HIS A 125 51.008 68.420 -43.070 1.00 3.32 H new ATOM 0 HE1 HIS A 125 47.835 68.205 -40.273 1.00 54.41 H new ATOM 0 HE2 HIS A 125 50.168 69.105 -40.705 1.00 54.24 H new ATOM 1870 N HIS A 126 51.953 65.419 -45.722 1.00 22.41 N ATOM 1871 CA HIS A 126 53.401 65.624 -45.792 1.00 73.13 C ATOM 1872 C HIS A 126 53.769 67.095 -45.606 1.00 14.44 C ATOM 1873 O HIS A 126 54.897 67.420 -45.239 1.00 61.23 O ATOM 1874 CB HIS A 126 53.960 65.112 -47.134 1.00 23.41 C ATOM 1875 CG HIS A 126 53.146 65.499 -48.340 1.00 43.53 C ATOM 1876 ND1 HIS A 126 52.671 64.579 -49.249 1.00 63.22 N ATOM 1877 CD2 HIS A 126 52.711 66.707 -48.777 1.00 54.42 C ATOM 1878 CE1 HIS A 126 51.981 65.201 -50.184 1.00 42.22 C ATOM 1879 NE2 HIS A 126 51.987 66.491 -49.923 1.00 15.42 N ATOM 0 H HIS A 126 51.542 65.064 -46.586 1.00 22.41 H new ATOM 0 HA HIS A 126 53.849 65.054 -44.978 1.00 73.13 H new ATOM 0 HB2 HIS A 126 54.974 65.492 -47.259 1.00 23.41 H new ATOM 0 HB3 HIS A 126 54.030 64.025 -47.093 1.00 23.41 H new ATOM 0 HD2 HIS A 126 52.899 67.662 -48.310 1.00 54.42 H new ATOM 0 HE1 HIS A 126 51.492 64.731 -51.024 1.00 42.22 H new ATOM 0 HE2 HIS A 126 51.529 67.212 -50.481 1.00 15.42 H new ATOM 1888 N HIS A 127 52.810 67.972 -45.879 1.00 12.35 N ATOM 1889 CA HIS A 127 53.006 69.409 -45.746 1.00 31.34 C ATOM 1890 C HIS A 127 51.656 70.109 -45.767 1.00 12.31 C ATOM 1891 O HIS A 127 51.166 70.501 -44.690 1.00 54.42 O ATOM 1892 CB HIS A 127 53.898 69.945 -46.873 1.00 12.42 C ATOM 1893 CG HIS A 127 54.087 71.429 -46.833 1.00 22.42 C ATOM 1894 ND1 HIS A 127 54.965 72.051 -45.980 1.00 5.05 N ATOM 1895 CD2 HIS A 127 53.480 72.420 -47.528 1.00 4.12 C ATOM 1896 CE1 HIS A 127 54.891 73.357 -46.146 1.00 42.13 C ATOM 1897 NE2 HIS A 127 53.995 73.611 -47.080 1.00 54.43 N ATOM 1898 OXT HIS A 127 51.077 70.236 -46.861 1.00 0.00 O1- ATOM 0 H HIS A 127 51.878 67.707 -46.198 1.00 12.35 H new ATOM 0 HA HIS A 127 53.504 69.609 -44.797 1.00 31.34 H new ATOM 0 HB2 HIS A 127 54.873 69.461 -46.815 1.00 12.42 H new ATOM 0 HB3 HIS A 127 53.462 69.668 -47.833 1.00 12.42 H new ATOM 0 HD2 HIS A 127 52.729 72.296 -48.294 1.00 4.12 H new ATOM 0 HE1 HIS A 127 55.467 74.095 -45.608 1.00 42.13 H new ATOM 0 HE2 HIS A 127 53.729 74.538 -47.414 1.00 54.43 H new TER 1907 HIS A 127