USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 952 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 120 HIS : no HD1:sc=-0.000415 X(o=-0.4,f=-0.41) USER MOD Set 1.2: A 152 SER OG : rot 80:sc= -0.402 USER MOD Set 2.1: A 110 ASN : amide:sc= 2.14 K(o=3.3,f=1) USER MOD Set 2.2: A 144 GLN : amide:sc= 1.15 K(o=3.3,f=1) USER MOD Set 3.1: A 113 GLN : amide:sc= -1.86 X(o=-3.4,f=-3.3) USER MOD Set 3.2: A 147 GLN : amide:sc= -1.63! C(o=-3.4!,f=-5.6!) USER MOD Set 3.3: A 149 SER OG : rot 75:sc= 0.0598 USER MOD Set 4.1: A 102 HIS : no HD1:sc= 0 X(o=0,f=0.17) USER MOD Set 4.2: A 104 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 84 GLN : amide:sc= -3.01! C(o=-4.2!,f=-0.12!) USER MOD Set 5.2: A 86 GLN : amide:sc= -1.18! K(o=-4.2!,f=-0.12) USER MOD Single : A 2 MET CE :methyl -164:sc= -0.0599 (180deg=-0.37) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00433 USER MOD Single : A 24 SER OG : rot -9:sc= 1.06 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.249 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 72 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.35) USER MOD Single : A 73 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 75 SER OG : rot -5:sc= 1.21 USER MOD Single : A 76 GLN : amide:sc= -1.01 K(o=-1,f=-5.3!) USER MOD Single : A 77 GLN : amide:sc= -0.773 K(o=-0.77,f=-2.6!) USER MOD Single : A 79 MET CE :methyl -133:sc= -0.429 (180deg=-0.5) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0331 USER MOD Single : A 90 GLN : amide:sc= -0.474 K(o=-0.47,f=-1.5) USER MOD Single : A 94 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 1.13 K(o=1.1,f=-0.7) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 116 MET CE :methyl 173:sc= -1.38 (180deg=-1.47) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= -0.118 USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 133 MET CE :methyl -115:sc= -1.34 (180deg=-3.51) USER MOD Single : A 136 THR OG1 : rot 68:sc= 1.27 USER MOD Single : A 137 GLN : amide:sc= -0.017 K(o=-0.017,f=-0.71) USER MOD Single : A 141 SER OG : rot -24:sc= 0.0451 USER MOD Single : A 148 SER OG : rot 180:sc=-0.00421 USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 158 GLN : amide:sc= -0.0193 K(o=-0.019,f=-1.1) USER MOD Single : A 159 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 GLN : amide:sc= -1.85! C(o=-1.8!,f=-7.6!) USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot -15:sc= 0.84 USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= 0.0915 K(o=0.092,f=-2.6!) USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 166 GLN : amide:sc= -0.964 X(o=-0.96,f=-0.69) USER MOD Single : A 167 SER OG : rot 180:sc= -0.244 USER MOD ----------------------------------------------------------------- ATOM 21 N MET A 2 134.270 -30.938 25.108 1.00 10.00 N ATOM 22 CA MET A 2 133.095 -30.190 24.708 1.00 45.21 C ATOM 23 C MET A 2 132.030 -31.132 24.187 1.00 0.34 C ATOM 24 O MET A 2 131.998 -31.464 22.997 1.00 54.03 O ATOM 25 CB MET A 2 133.431 -29.127 23.656 1.00 24.12 C ATOM 26 CG MET A 2 134.294 -27.991 24.178 1.00 32.10 C ATOM 27 SD MET A 2 134.524 -26.674 22.963 1.00 21.50 S ATOM 28 CE MET A 2 135.420 -27.549 21.681 1.00 55.23 C ATOM 0 HA MET A 2 132.714 -29.671 25.588 1.00 45.21 H new ATOM 0 HB2 MET A 2 133.944 -29.606 22.822 1.00 24.12 H new ATOM 0 HB3 MET A 2 132.502 -28.713 23.263 1.00 24.12 H new ATOM 0 HG2 MET A 2 133.836 -27.575 25.076 1.00 32.10 H new ATOM 0 HG3 MET A 2 135.268 -28.385 24.470 1.00 32.10 H new ATOM 0 HE1 MET A 2 135.880 -26.830 21.003 1.00 55.23 H new ATOM 0 HE2 MET A 2 136.195 -28.167 22.135 1.00 55.23 H new ATOM 0 HE3 MET A 2 134.731 -28.183 21.124 1.00 55.23 H new ATOM 38 N ALA A 3 131.175 -31.584 25.089 1.00 32.45 N ATOM 39 CA ALA A 3 130.111 -32.510 24.743 1.00 52.10 C ATOM 40 C ALA A 3 129.126 -31.871 23.780 1.00 60.33 C ATOM 41 O ALA A 3 128.586 -32.543 22.901 1.00 31.54 O ATOM 42 CB ALA A 3 129.398 -32.986 25.999 1.00 14.42 C ATOM 0 H ALA A 3 131.198 -31.322 26.074 1.00 32.45 H new ATOM 0 HA ALA A 3 130.556 -33.372 24.246 1.00 52.10 H new ATOM 0 HB1 ALA A 3 128.603 -33.679 25.725 1.00 14.42 H new ATOM 0 HB2 ALA A 3 130.110 -33.490 26.653 1.00 14.42 H new ATOM 0 HB3 ALA A 3 128.969 -32.130 26.521 1.00 14.42 H new ATOM 48 N SER A 4 128.919 -30.563 23.940 1.00 22.33 N ATOM 49 CA SER A 4 127.996 -29.799 23.108 1.00 12.33 C ATOM 50 C SER A 4 126.560 -30.301 23.270 1.00 3.11 C ATOM 51 O SER A 4 126.151 -31.273 22.633 1.00 62.42 O ATOM 52 CB SER A 4 128.425 -29.840 21.636 1.00 10.34 C ATOM 53 OG SER A 4 129.749 -29.337 21.476 1.00 33.01 O ATOM 0 H SER A 4 129.389 -30.005 24.653 1.00 22.33 H new ATOM 0 HA SER A 4 128.027 -28.762 23.443 1.00 12.33 H new ATOM 0 HB2 SER A 4 128.374 -30.864 21.267 1.00 10.34 H new ATOM 0 HB3 SER A 4 127.733 -29.250 21.035 1.00 10.34 H new ATOM 0 HG SER A 4 130.001 -29.375 20.530 1.00 33.01 H new ATOM 59 N ASP A 5 125.809 -29.638 24.126 1.00 71.21 N ATOM 60 CA ASP A 5 124.431 -30.023 24.389 1.00 55.14 C ATOM 61 C ASP A 5 123.527 -29.517 23.285 1.00 34.10 C ATOM 62 O ASP A 5 122.627 -30.228 22.833 1.00 64.42 O ATOM 63 CB ASP A 5 123.963 -29.475 25.744 1.00 35.11 C ATOM 64 CG ASP A 5 124.749 -30.043 26.907 1.00 13.20 C ATOM 65 OD1 ASP A 5 125.820 -29.485 27.240 1.00 32.34 O ATOM 66 OD2 ASP A 5 124.306 -31.054 27.495 1.00 40.51 O ATOM 0 H ASP A 5 126.128 -28.826 24.655 1.00 71.21 H new ATOM 0 HA ASP A 5 124.380 -31.111 24.420 1.00 55.14 H new ATOM 0 HB2 ASP A 5 124.056 -28.389 25.744 1.00 35.11 H new ATOM 0 HB3 ASP A 5 122.906 -29.704 25.879 1.00 35.11 H new ATOM 71 N ASP A 6 123.798 -28.283 22.845 1.00 13.11 N ATOM 72 CA ASP A 6 123.045 -27.613 21.768 1.00 41.32 C ATOM 73 C ASP A 6 121.644 -27.219 22.220 1.00 33.43 C ATOM 74 O ASP A 6 120.870 -28.049 22.702 1.00 12.30 O ATOM 75 CB ASP A 6 122.971 -28.479 20.496 1.00 54.12 C ATOM 76 CG ASP A 6 122.372 -27.732 19.315 1.00 62.10 C ATOM 77 OD1 ASP A 6 123.087 -26.905 18.707 1.00 3.21 O ATOM 78 OD2 ASP A 6 121.191 -27.967 18.986 1.00 32.11 O ATOM 0 H ASP A 6 124.552 -27.713 23.227 1.00 13.11 H new ATOM 0 HA ASP A 6 123.594 -26.703 21.526 1.00 41.32 H new ATOM 0 HB2 ASP A 6 123.972 -28.821 20.235 1.00 54.12 H new ATOM 0 HB3 ASP A 6 122.374 -29.368 20.700 1.00 54.12 H new ATOM 83 N ARG A 7 121.329 -25.951 22.078 1.00 65.32 N ATOM 84 CA ARG A 7 120.026 -25.447 22.452 1.00 15.33 C ATOM 85 C ARG A 7 119.167 -25.322 21.192 1.00 13.24 C ATOM 86 O ARG A 7 119.675 -24.975 20.127 1.00 74.34 O ATOM 87 CB ARG A 7 120.180 -24.086 23.171 1.00 33.54 C ATOM 88 CG ARG A 7 119.008 -23.696 24.078 1.00 65.21 C ATOM 89 CD ARG A 7 117.801 -23.245 23.282 1.00 65.22 C ATOM 90 NE ARG A 7 116.631 -23.014 24.122 1.00 54.04 N ATOM 91 CZ ARG A 7 115.425 -22.693 23.654 1.00 64.31 C ATOM 92 NH1 ARG A 7 115.236 -22.534 22.347 1.00 21.03 N ATOM 93 NH2 ARG A 7 114.416 -22.519 24.495 1.00 74.53 N ATOM 0 H ARG A 7 121.963 -25.245 21.703 1.00 65.32 H new ATOM 0 HA ARG A 7 119.535 -26.133 23.142 1.00 15.33 H new ATOM 0 HB2 ARG A 7 121.091 -24.109 23.769 1.00 33.54 H new ATOM 0 HB3 ARG A 7 120.312 -23.308 22.419 1.00 33.54 H new ATOM 0 HG2 ARG A 7 118.734 -24.547 24.702 1.00 65.21 H new ATOM 0 HG3 ARG A 7 119.320 -22.896 24.749 1.00 65.21 H new ATOM 0 HD2 ARG A 7 118.046 -22.328 22.746 1.00 65.22 H new ATOM 0 HD3 ARG A 7 117.562 -23.999 22.532 1.00 65.22 H new ATOM 0 HE ARG A 7 116.743 -23.104 25.132 1.00 54.04 H new ATOM 0 HH11 ARG A 7 116.015 -22.658 21.700 1.00 21.03 H new ATOM 0 HH12 ARG A 7 114.312 -22.288 21.991 1.00 21.03 H new ATOM 0 HH21 ARG A 7 114.563 -22.631 25.498 1.00 74.53 H new ATOM 0 HH22 ARG A 7 113.492 -22.273 24.139 1.00 74.53 H new ATOM 107 N ALA A 8 117.874 -25.609 21.317 1.00 12.22 N ATOM 108 CA ALA A 8 116.955 -25.565 20.181 1.00 53.43 C ATOM 109 C ALA A 8 116.794 -24.145 19.640 1.00 3.24 C ATOM 110 O ALA A 8 117.114 -23.164 20.318 1.00 74.22 O ATOM 111 CB ALA A 8 115.603 -26.135 20.577 1.00 34.34 C ATOM 0 H ALA A 8 117.436 -25.876 22.199 1.00 12.22 H new ATOM 0 HA ALA A 8 117.382 -26.175 19.385 1.00 53.43 H new ATOM 0 HB1 ALA A 8 114.928 -26.097 19.722 1.00 34.34 H new ATOM 0 HB2 ALA A 8 115.724 -27.170 20.898 1.00 34.34 H new ATOM 0 HB3 ALA A 8 115.186 -25.548 21.395 1.00 34.34 H new ATOM 117 N THR A 9 116.278 -24.039 18.432 1.00 11.31 N ATOM 118 CA THR A 9 116.128 -22.760 17.778 1.00 34.31 C ATOM 119 C THR A 9 114.850 -22.055 18.222 1.00 74.21 C ATOM 120 O THR A 9 113.750 -22.612 18.132 1.00 11.12 O ATOM 121 CB THR A 9 116.103 -22.932 16.245 1.00 14.40 C ATOM 122 OG1 THR A 9 117.206 -23.747 15.834 1.00 11.54 O ATOM 123 CG2 THR A 9 116.187 -21.582 15.546 1.00 22.53 C ATOM 0 H THR A 9 115.953 -24.834 17.881 1.00 11.31 H new ATOM 0 HA THR A 9 116.985 -22.149 18.063 1.00 34.31 H new ATOM 0 HB THR A 9 115.163 -23.411 15.969 1.00 14.40 H new ATOM 0 HG1 THR A 9 117.187 -23.856 14.860 1.00 11.54 H new ATOM 0 HG21 THR A 9 116.168 -21.730 14.466 1.00 22.53 H new ATOM 0 HG22 THR A 9 115.339 -20.965 15.843 1.00 22.53 H new ATOM 0 HG23 THR A 9 117.115 -21.084 15.828 1.00 22.53 H new ATOM 131 N GLY A 10 115.008 -20.845 18.726 1.00 34.51 N ATOM 132 CA GLY A 10 113.879 -20.042 19.124 1.00 34.15 C ATOM 133 C GLY A 10 113.824 -18.762 18.318 1.00 63.41 C ATOM 134 O GLY A 10 114.435 -17.763 18.701 1.00 5.32 O ATOM 0 H GLY A 10 115.915 -20.400 18.868 1.00 34.51 H new ATOM 0 HA2 GLY A 10 112.957 -20.606 18.983 1.00 34.15 H new ATOM 0 HA3 GLY A 10 113.950 -19.807 20.186 1.00 34.15 H new ATOM 138 N PRO A 11 113.115 -18.766 17.178 1.00 31.24 N ATOM 139 CA PRO A 11 113.044 -17.607 16.289 1.00 21.32 C ATOM 140 C PRO A 11 112.241 -16.447 16.878 1.00 12.33 C ATOM 141 O PRO A 11 111.017 -16.384 16.742 1.00 40.45 O ATOM 142 CB PRO A 11 112.363 -18.154 15.032 1.00 33.11 C ATOM 143 CG PRO A 11 111.566 -19.320 15.506 1.00 14.44 C ATOM 144 CD PRO A 11 112.319 -19.903 16.671 1.00 22.31 C ATOM 0 HA PRO A 11 114.033 -17.187 16.104 1.00 21.32 H new ATOM 0 HB2 PRO A 11 111.725 -17.401 14.569 1.00 33.11 H new ATOM 0 HB3 PRO A 11 113.097 -18.454 14.284 1.00 33.11 H new ATOM 0 HG2 PRO A 11 110.565 -19.010 15.806 1.00 14.44 H new ATOM 0 HG3 PRO A 11 111.447 -20.057 14.712 1.00 14.44 H new ATOM 0 HD2 PRO A 11 111.642 -20.289 17.433 1.00 22.31 H new ATOM 0 HD3 PRO A 11 112.956 -20.732 16.362 1.00 22.31 H new ATOM 209 N LEU A 16 105.300 -4.759 15.343 1.00 41.22 N ATOM 210 CA LEU A 16 105.280 -3.342 15.019 1.00 52.01 C ATOM 211 C LEU A 16 103.879 -2.783 15.166 1.00 41.22 C ATOM 212 O LEU A 16 102.939 -3.520 15.450 1.00 53.24 O ATOM 213 CB LEU A 16 105.803 -3.081 13.589 1.00 42.01 C ATOM 214 CG LEU A 16 104.933 -3.589 12.424 1.00 12.53 C ATOM 215 CD1 LEU A 16 105.357 -2.925 11.124 1.00 11.51 C ATOM 216 CD2 LEU A 16 105.034 -5.101 12.285 1.00 41.11 C ATOM 0 HA LEU A 16 105.943 -2.836 15.721 1.00 52.01 H new ATOM 0 HB2 LEU A 16 105.937 -2.006 13.468 1.00 42.01 H new ATOM 0 HB3 LEU A 16 106.789 -3.537 13.500 1.00 42.01 H new ATOM 0 HG LEU A 16 103.896 -3.331 12.641 1.00 12.53 H new ATOM 0 HD11 LEU A 16 104.735 -3.292 10.308 1.00 11.51 H new ATOM 0 HD12 LEU A 16 105.240 -1.845 11.212 1.00 11.51 H new ATOM 0 HD13 LEU A 16 106.401 -3.161 10.919 1.00 11.51 H new ATOM 0 HD21 LEU A 16 104.410 -5.433 11.455 1.00 41.11 H new ATOM 0 HD22 LEU A 16 106.070 -5.380 12.094 1.00 41.11 H new ATOM 0 HD23 LEU A 16 104.694 -5.575 13.206 1.00 41.11 H new ATOM 228 N VAL A 17 103.748 -1.487 14.981 1.00 63.30 N ATOM 229 CA VAL A 17 102.463 -0.827 15.104 1.00 34.43 C ATOM 230 C VAL A 17 101.707 -0.848 13.780 1.00 61.44 C ATOM 231 O VAL A 17 102.310 -0.760 12.702 1.00 1.04 O ATOM 232 CB VAL A 17 102.615 0.635 15.595 1.00 31.43 C ATOM 233 CG1 VAL A 17 103.180 0.665 17.007 1.00 33.34 C ATOM 234 CG2 VAL A 17 103.502 1.438 14.651 1.00 72.51 C ATOM 0 H VAL A 17 104.520 -0.865 14.743 1.00 63.30 H new ATOM 0 HA VAL A 17 101.892 -1.382 15.848 1.00 34.43 H new ATOM 0 HB VAL A 17 101.626 1.094 15.604 1.00 31.43 H new ATOM 0 HG11 VAL A 17 103.281 1.699 17.337 1.00 33.34 H new ATOM 0 HG12 VAL A 17 102.507 0.133 17.680 1.00 33.34 H new ATOM 0 HG13 VAL A 17 104.158 0.184 17.018 1.00 33.34 H new ATOM 0 HG21 VAL A 17 103.592 2.460 15.018 1.00 72.51 H new ATOM 0 HG22 VAL A 17 104.490 0.981 14.603 1.00 72.51 H new ATOM 0 HG23 VAL A 17 103.058 1.448 13.655 1.00 72.51 H new ATOM 244 N VAL A 18 100.396 -0.980 13.862 1.00 25.23 N ATOM 245 CA VAL A 18 99.557 -1.004 12.680 1.00 34.25 C ATOM 246 C VAL A 18 99.186 0.420 12.266 1.00 73.30 C ATOM 247 O VAL A 18 99.023 1.307 13.120 1.00 41.01 O ATOM 248 CB VAL A 18 98.267 -1.851 12.906 1.00 24.23 C ATOM 249 CG1 VAL A 18 97.414 -1.273 14.026 1.00 63.12 C ATOM 250 CG2 VAL A 18 97.456 -1.976 11.620 1.00 50.31 C ATOM 0 H VAL A 18 99.887 -1.073 14.741 1.00 25.23 H new ATOM 0 HA VAL A 18 100.127 -1.474 11.879 1.00 34.25 H new ATOM 0 HB VAL A 18 98.582 -2.851 13.206 1.00 24.23 H new ATOM 0 HG11 VAL A 18 96.523 -1.886 14.158 1.00 63.12 H new ATOM 0 HG12 VAL A 18 97.988 -1.263 14.952 1.00 63.12 H new ATOM 0 HG13 VAL A 18 97.119 -0.255 13.771 1.00 63.12 H new ATOM 0 HG21 VAL A 18 96.563 -2.572 11.809 1.00 50.31 H new ATOM 0 HG22 VAL A 18 97.164 -0.984 11.276 1.00 50.31 H new ATOM 0 HG23 VAL A 18 98.061 -2.462 10.854 1.00 50.31 H new ATOM 260 N ALA A 19 99.061 0.636 10.970 1.00 22.02 N ATOM 261 CA ALA A 19 98.721 1.934 10.434 1.00 22.42 C ATOM 262 C ALA A 19 98.297 1.806 8.983 1.00 45.44 C ATOM 263 O ALA A 19 98.650 0.831 8.307 1.00 74.20 O ATOM 264 CB ALA A 19 99.901 2.882 10.560 1.00 44.34 C ATOM 0 H ALA A 19 99.193 -0.086 10.262 1.00 22.02 H new ATOM 0 HA ALA A 19 97.887 2.342 11.006 1.00 22.42 H new ATOM 0 HB1 ALA A 19 99.630 3.856 10.152 1.00 44.34 H new ATOM 0 HB2 ALA A 19 100.170 2.991 11.611 1.00 44.34 H new ATOM 0 HB3 ALA A 19 100.751 2.481 10.008 1.00 44.34 H new ATOM 270 N ALA A 20 97.544 2.783 8.510 1.00 10.41 N ATOM 271 CA ALA A 20 97.043 2.787 7.149 1.00 23.40 C ATOM 272 C ALA A 20 96.499 4.158 6.798 1.00 42.31 C ATOM 273 O ALA A 20 96.507 5.067 7.635 1.00 52.04 O ATOM 274 CB ALA A 20 95.955 1.731 6.986 1.00 44.31 C ATOM 0 H ALA A 20 97.263 3.595 9.059 1.00 10.41 H new ATOM 0 HA ALA A 20 97.864 2.551 6.472 1.00 23.40 H new ATOM 0 HB1 ALA A 20 95.587 1.743 5.960 1.00 44.31 H new ATOM 0 HB2 ALA A 20 96.366 0.747 7.212 1.00 44.31 H new ATOM 0 HB3 ALA A 20 95.133 1.947 7.669 1.00 44.31 H new ATOM 280 N ALA A 21 96.006 4.300 5.581 1.00 74.02 N ATOM 281 CA ALA A 21 95.473 5.563 5.111 1.00 32.12 C ATOM 282 C ALA A 21 94.632 5.350 3.868 1.00 64.30 C ATOM 283 O ALA A 21 95.152 5.036 2.792 1.00 51.25 O ATOM 284 CB ALA A 21 96.599 6.549 4.826 1.00 4.24 C ATOM 0 H ALA A 21 95.964 3.547 4.895 1.00 74.02 H new ATOM 0 HA ALA A 21 94.840 5.981 5.894 1.00 32.12 H new ATOM 0 HB1 ALA A 21 96.178 7.491 4.474 1.00 4.24 H new ATOM 0 HB2 ALA A 21 97.168 6.725 5.739 1.00 4.24 H new ATOM 0 HB3 ALA A 21 97.258 6.138 4.061 1.00 4.24 H new ATOM 290 N ALA A 22 93.338 5.530 4.022 1.00 73.33 N ATOM 291 CA ALA A 22 92.390 5.349 2.944 1.00 21.15 C ATOM 292 C ALA A 22 91.095 6.056 3.278 1.00 52.01 C ATOM 293 O ALA A 22 90.398 5.687 4.221 1.00 1.50 O ATOM 294 CB ALA A 22 92.131 3.868 2.707 1.00 72.14 C ATOM 0 H ALA A 22 92.911 5.808 4.906 1.00 73.33 H new ATOM 0 HA ALA A 22 92.807 5.777 2.033 1.00 21.15 H new ATOM 0 HB1 ALA A 22 91.416 3.749 1.893 1.00 72.14 H new ATOM 0 HB2 ALA A 22 93.066 3.373 2.444 1.00 72.14 H new ATOM 0 HB3 ALA A 22 91.726 3.420 3.614 1.00 72.14 H new ATOM 300 N THR A 23 90.794 7.088 2.524 1.00 75.22 N ATOM 301 CA THR A 23 89.598 7.864 2.742 1.00 70.41 C ATOM 302 C THR A 23 88.393 7.219 2.048 1.00 42.05 C ATOM 303 O THR A 23 88.552 6.422 1.113 1.00 71.43 O ATOM 304 CB THR A 23 89.782 9.327 2.255 1.00 43.22 C ATOM 305 OG1 THR A 23 88.633 10.114 2.593 1.00 4.23 O ATOM 306 CG2 THR A 23 90.010 9.380 0.748 1.00 74.23 C ATOM 0 H THR A 23 91.369 7.411 1.746 1.00 75.22 H new ATOM 0 HA THR A 23 89.409 7.884 3.815 1.00 70.41 H new ATOM 0 HB THR A 23 90.660 9.735 2.755 1.00 43.22 H new ATOM 0 HG1 THR A 23 88.764 11.034 2.282 1.00 4.23 H new ATOM 0 HG21 THR A 23 90.136 10.417 0.435 1.00 74.23 H new ATOM 0 HG22 THR A 23 90.906 8.814 0.496 1.00 74.23 H new ATOM 0 HG23 THR A 23 89.151 8.948 0.235 1.00 74.23 H new ATOM 314 N SER A 24 87.200 7.562 2.515 1.00 53.42 N ATOM 315 CA SER A 24 85.949 7.045 1.968 1.00 50.10 C ATOM 316 C SER A 24 84.787 7.924 2.411 1.00 43.34 C ATOM 317 O SER A 24 84.464 7.981 3.603 1.00 1.32 O ATOM 318 CB SER A 24 85.701 5.601 2.437 1.00 2.21 C ATOM 319 OG SER A 24 86.696 4.715 1.948 1.00 31.13 O ATOM 0 H SER A 24 87.070 8.212 3.290 1.00 53.42 H new ATOM 0 HA SER A 24 86.024 7.053 0.881 1.00 50.10 H new ATOM 0 HB2 SER A 24 85.688 5.569 3.526 1.00 2.21 H new ATOM 0 HB3 SER A 24 84.720 5.271 2.097 1.00 2.21 H new ATOM 0 HG SER A 24 87.257 5.182 1.294 1.00 31.13 H new ATOM 325 N ALA A 25 84.170 8.606 1.455 1.00 62.23 N ATOM 326 CA ALA A 25 83.049 9.494 1.733 1.00 3.15 C ATOM 327 C ALA A 25 82.359 9.904 0.437 1.00 61.21 C ATOM 328 O ALA A 25 82.876 10.728 -0.324 1.00 44.43 O ATOM 329 CB ALA A 25 83.518 10.730 2.491 1.00 2.43 C ATOM 0 H ALA A 25 84.431 8.560 0.470 1.00 62.23 H new ATOM 0 HA ALA A 25 82.334 8.955 2.355 1.00 3.15 H new ATOM 0 HB1 ALA A 25 82.666 11.380 2.689 1.00 2.43 H new ATOM 0 HB2 ALA A 25 83.971 10.428 3.435 1.00 2.43 H new ATOM 0 HB3 ALA A 25 84.253 11.267 1.892 1.00 2.43 H new ATOM 335 N LYS A 26 81.207 9.311 0.179 1.00 13.33 N ATOM 336 CA LYS A 26 80.445 9.619 -1.018 1.00 22.14 C ATOM 337 C LYS A 26 79.650 10.913 -0.836 1.00 21.04 C ATOM 338 O LYS A 26 78.817 11.029 0.069 1.00 20.40 O ATOM 339 CB LYS A 26 79.502 8.459 -1.385 1.00 32.11 C ATOM 340 CG LYS A 26 78.511 8.099 -0.293 1.00 4.32 C ATOM 341 CD LYS A 26 77.419 7.181 -0.802 1.00 30.42 C ATOM 342 CE LYS A 26 76.360 6.960 0.261 1.00 51.04 C ATOM 343 NZ LYS A 26 75.174 6.256 -0.274 1.00 40.14 N ATOM 0 H LYS A 26 80.778 8.611 0.784 1.00 13.33 H new ATOM 0 HA LYS A 26 81.151 9.758 -1.837 1.00 22.14 H new ATOM 0 HB2 LYS A 26 78.952 8.724 -2.288 1.00 32.11 H new ATOM 0 HB3 LYS A 26 80.100 7.579 -1.623 1.00 32.11 H new ATOM 0 HG2 LYS A 26 79.037 7.616 0.530 1.00 4.32 H new ATOM 0 HG3 LYS A 26 78.063 9.009 0.106 1.00 4.32 H new ATOM 0 HD2 LYS A 26 76.962 7.612 -1.693 1.00 30.42 H new ATOM 0 HD3 LYS A 26 77.850 6.224 -1.096 1.00 30.42 H new ATOM 0 HE2 LYS A 26 76.785 6.382 1.081 1.00 51.04 H new ATOM 0 HE3 LYS A 26 76.055 7.922 0.674 1.00 51.04 H new ATOM 0 HZ1 LYS A 26 74.476 6.126 0.486 1.00 40.14 H new ATOM 0 HZ2 LYS A 26 74.752 6.819 -1.040 1.00 40.14 H new ATOM 0 HZ3 LYS A 26 75.460 5.327 -0.645 1.00 40.14 H new ATOM 357 N VAL A 27 79.923 11.889 -1.675 1.00 10.44 N ATOM 358 CA VAL A 27 79.211 13.151 -1.617 1.00 53.53 C ATOM 359 C VAL A 27 77.978 13.118 -2.518 1.00 43.30 C ATOM 360 O VAL A 27 78.076 12.828 -3.714 1.00 33.41 O ATOM 361 CB VAL A 27 80.120 14.355 -1.990 1.00 21.14 C ATOM 362 CG1 VAL A 27 81.170 14.579 -0.913 1.00 20.20 C ATOM 363 CG2 VAL A 27 80.790 14.143 -3.345 1.00 23.51 C ATOM 0 H VAL A 27 80.632 11.835 -2.406 1.00 10.44 H new ATOM 0 HA VAL A 27 78.892 13.290 -0.584 1.00 53.53 H new ATOM 0 HB VAL A 27 79.490 15.242 -2.060 1.00 21.14 H new ATOM 0 HG11 VAL A 27 81.799 15.426 -1.189 1.00 20.20 H new ATOM 0 HG12 VAL A 27 80.678 14.787 0.037 1.00 20.20 H new ATOM 0 HG13 VAL A 27 81.787 13.686 -0.815 1.00 20.20 H new ATOM 0 HG21 VAL A 27 81.419 15.002 -3.578 1.00 23.51 H new ATOM 0 HG22 VAL A 27 81.403 13.243 -3.311 1.00 23.51 H new ATOM 0 HG23 VAL A 27 80.027 14.033 -4.115 1.00 23.51 H new ATOM 799 N VAL A 60 12.095 10.023 -1.904 1.00 22.32 N ATOM 800 CA VAL A 60 10.665 9.901 -1.669 1.00 31.21 C ATOM 801 C VAL A 60 9.896 10.402 -2.888 1.00 73.15 C ATOM 802 O VAL A 60 10.498 10.784 -3.903 1.00 13.35 O ATOM 803 CB VAL A 60 10.210 10.694 -0.411 1.00 31.22 C ATOM 804 CG1 VAL A 60 10.834 10.115 0.845 1.00 51.14 C ATOM 805 CG2 VAL A 60 10.555 12.171 -0.547 1.00 13.32 C ATOM 0 HA VAL A 60 10.451 8.846 -1.496 1.00 31.21 H new ATOM 0 HB VAL A 60 9.127 10.603 -0.329 1.00 31.22 H new ATOM 0 HG11 VAL A 60 10.502 10.685 1.712 1.00 51.14 H new ATOM 0 HG12 VAL A 60 10.529 9.074 0.956 1.00 51.14 H new ATOM 0 HG13 VAL A 60 11.920 10.169 0.770 1.00 51.14 H new ATOM 0 HG21 VAL A 60 10.227 12.705 0.345 1.00 13.32 H new ATOM 0 HG22 VAL A 60 11.633 12.284 -0.662 1.00 13.32 H new ATOM 0 HG23 VAL A 60 10.052 12.583 -1.422 1.00 13.32 H new ATOM 815 N LEU A 61 8.586 10.417 -2.796 1.00 42.15 N ATOM 816 CA LEU A 61 7.772 10.830 -3.914 1.00 15.13 C ATOM 817 C LEU A 61 7.562 12.338 -3.899 1.00 3.51 C ATOM 818 O LEU A 61 6.650 12.859 -3.254 1.00 54.20 O ATOM 819 CB LEU A 61 6.435 10.076 -3.917 1.00 55.24 C ATOM 820 CG LEU A 61 5.487 10.374 -5.086 1.00 3.22 C ATOM 821 CD1 LEU A 61 6.202 10.208 -6.416 1.00 13.20 C ATOM 822 CD2 LEU A 61 4.278 9.458 -5.027 1.00 75.43 C ATOM 0 H LEU A 61 8.064 10.149 -1.962 1.00 42.15 H new ATOM 0 HA LEU A 61 8.296 10.579 -4.836 1.00 15.13 H new ATOM 0 HB2 LEU A 61 6.646 9.007 -3.912 1.00 55.24 H new ATOM 0 HB3 LEU A 61 5.913 10.302 -2.987 1.00 55.24 H new ATOM 0 HG LEU A 61 5.154 11.408 -5.001 1.00 3.22 H new ATOM 0 HD11 LEU A 61 5.510 10.424 -7.230 1.00 13.20 H new ATOM 0 HD12 LEU A 61 7.046 10.896 -6.464 1.00 13.20 H new ATOM 0 HD13 LEU A 61 6.564 9.184 -6.509 1.00 13.20 H new ATOM 0 HD21 LEU A 61 3.613 9.679 -5.862 1.00 75.43 H new ATOM 0 HD22 LEU A 61 4.605 8.420 -5.089 1.00 75.43 H new ATOM 0 HD23 LEU A 61 3.747 9.616 -4.088 1.00 75.43 H new ATOM 834 N SER A 62 8.439 13.030 -4.586 1.00 62.44 N ATOM 835 CA SER A 62 8.381 14.463 -4.689 1.00 0.35 C ATOM 836 C SER A 62 8.539 14.869 -6.139 1.00 14.24 C ATOM 837 O SER A 62 9.603 15.303 -6.569 1.00 35.11 O ATOM 838 CB SER A 62 9.470 15.102 -3.832 1.00 33.15 C ATOM 839 OG SER A 62 9.397 14.629 -2.497 1.00 13.02 O ATOM 0 H SER A 62 9.218 12.608 -5.092 1.00 62.44 H new ATOM 0 HA SER A 62 7.415 14.812 -4.324 1.00 0.35 H new ATOM 0 HB2 SER A 62 10.450 14.874 -4.251 1.00 33.15 H new ATOM 0 HB3 SER A 62 9.361 16.186 -3.846 1.00 33.15 H new ATOM 0 HG SER A 62 10.103 15.048 -1.962 1.00 13.02 H new ATOM 845 N ALA A 63 7.484 14.675 -6.892 1.00 53.15 N ATOM 846 CA ALA A 63 7.476 14.991 -8.295 1.00 61.03 C ATOM 847 C ALA A 63 6.192 15.717 -8.643 1.00 74.20 C ATOM 848 O ALA A 63 5.200 15.598 -7.914 1.00 75.31 O ATOM 849 CB ALA A 63 7.607 13.708 -9.109 1.00 13.34 C ATOM 0 H ALA A 63 6.605 14.292 -6.545 1.00 53.15 H new ATOM 0 HA ALA A 63 8.319 15.640 -8.532 1.00 61.03 H new ATOM 0 HB1 ALA A 63 7.601 13.949 -10.172 1.00 13.34 H new ATOM 0 HB2 ALA A 63 8.543 13.210 -8.855 1.00 13.34 H new ATOM 0 HB3 ALA A 63 6.771 13.046 -8.882 1.00 13.34 H new ATOM 855 N PRO A 64 6.194 16.502 -9.738 1.00 35.44 N ATOM 856 CA PRO A 64 5.011 17.233 -10.196 1.00 50.44 C ATOM 857 C PRO A 64 3.788 16.324 -10.313 1.00 23.04 C ATOM 858 O PRO A 64 3.772 15.387 -11.117 1.00 62.55 O ATOM 859 CB PRO A 64 5.422 17.761 -11.588 1.00 63.11 C ATOM 860 CG PRO A 64 6.705 17.069 -11.916 1.00 63.30 C ATOM 861 CD PRO A 64 7.348 16.752 -10.606 1.00 53.21 C ATOM 0 HA PRO A 64 4.724 18.021 -9.499 1.00 50.44 H new ATOM 0 HB2 PRO A 64 4.657 17.542 -12.332 1.00 63.11 H new ATOM 0 HB3 PRO A 64 5.552 18.843 -11.574 1.00 63.11 H new ATOM 0 HG2 PRO A 64 6.523 16.161 -12.491 1.00 63.30 H new ATOM 0 HG3 PRO A 64 7.348 17.707 -12.522 1.00 63.30 H new ATOM 0 HD2 PRO A 64 8.000 15.881 -10.674 1.00 53.21 H new ATOM 0 HD3 PRO A 64 7.957 17.579 -10.242 1.00 53.21 H new ATOM 869 N LEU A 65 2.769 16.602 -9.507 1.00 52.04 N ATOM 870 CA LEU A 65 1.560 15.791 -9.504 1.00 40.32 C ATOM 871 C LEU A 65 0.781 16.002 -10.791 1.00 14.14 C ATOM 872 O LEU A 65 0.610 17.131 -11.254 1.00 40.05 O ATOM 873 CB LEU A 65 0.671 16.086 -8.270 1.00 45.04 C ATOM 874 CG LEU A 65 -0.062 17.442 -8.237 1.00 31.31 C ATOM 875 CD1 LEU A 65 -1.093 17.455 -7.120 1.00 43.31 C ATOM 876 CD2 LEU A 65 0.915 18.593 -8.050 1.00 10.05 C ATOM 0 H LEU A 65 2.757 17.381 -8.849 1.00 52.04 H new ATOM 0 HA LEU A 65 1.862 14.746 -9.442 1.00 40.32 H new ATOM 0 HB2 LEU A 65 -0.076 15.296 -8.196 1.00 45.04 H new ATOM 0 HB3 LEU A 65 1.296 16.018 -7.380 1.00 45.04 H new ATOM 0 HG LEU A 65 -0.565 17.573 -9.195 1.00 31.31 H new ATOM 0 HD11 LEU A 65 -1.604 18.418 -7.107 1.00 43.31 H new ATOM 0 HD12 LEU A 65 -1.820 16.661 -7.287 1.00 43.31 H new ATOM 0 HD13 LEU A 65 -0.595 17.296 -6.163 1.00 43.31 H new ATOM 0 HD21 LEU A 65 0.368 19.535 -8.031 1.00 10.05 H new ATOM 0 HD22 LEU A 65 1.451 18.466 -7.110 1.00 10.05 H new ATOM 0 HD23 LEU A 65 1.627 18.604 -8.875 1.00 10.05 H new ATOM 888 N GLY A 66 0.339 14.913 -11.376 1.00 15.44 N ATOM 889 CA GLY A 66 -0.354 14.980 -12.637 1.00 2.31 C ATOM 890 C GLY A 66 0.556 14.562 -13.762 1.00 14.33 C ATOM 891 O GLY A 66 0.131 13.884 -14.697 1.00 63.32 O ATOM 0 H GLY A 66 0.448 13.972 -10.998 1.00 15.44 H new ATOM 0 HA2 GLY A 66 -1.231 14.333 -12.611 1.00 2.31 H new ATOM 0 HA3 GLY A 66 -0.712 15.995 -12.809 1.00 2.31 H new ATOM 895 N SER A 67 1.810 14.992 -13.673 1.00 11.01 N ATOM 896 CA SER A 67 2.844 14.627 -14.625 1.00 23.33 C ATOM 897 C SER A 67 3.119 13.122 -14.574 1.00 52.44 C ATOM 898 O SER A 67 2.833 12.456 -13.569 1.00 3.04 O ATOM 899 CB SER A 67 4.130 15.416 -14.331 1.00 72.31 C ATOM 900 OG SER A 67 5.201 15.006 -15.168 1.00 51.30 O ATOM 0 H SER A 67 2.137 15.609 -12.930 1.00 11.01 H new ATOM 0 HA SER A 67 2.497 14.876 -15.628 1.00 23.33 H new ATOM 0 HB2 SER A 67 3.944 16.481 -14.473 1.00 72.31 H new ATOM 0 HB3 SER A 67 4.411 15.278 -13.287 1.00 72.31 H new ATOM 0 HG SER A 67 6.002 15.529 -14.955 1.00 51.30 H new ATOM 906 N HIS A 68 3.692 12.594 -15.647 1.00 32.04 N ATOM 907 CA HIS A 68 4.021 11.176 -15.721 1.00 65.45 C ATOM 908 C HIS A 68 5.146 10.831 -14.758 1.00 51.33 C ATOM 909 O HIS A 68 5.242 9.703 -14.295 1.00 50.11 O ATOM 910 CB HIS A 68 4.413 10.770 -17.149 1.00 51.43 C ATOM 911 CG HIS A 68 3.267 10.744 -18.115 1.00 30.14 C ATOM 912 ND1 HIS A 68 3.044 11.729 -19.051 1.00 12.14 N ATOM 913 CD2 HIS A 68 2.279 9.836 -18.291 1.00 12.22 C ATOM 914 CE1 HIS A 68 1.971 11.429 -19.755 1.00 34.52 C ATOM 915 NE2 HIS A 68 1.487 10.286 -19.316 1.00 42.31 N ATOM 0 H HIS A 68 3.939 13.127 -16.480 1.00 32.04 H new ATOM 0 HA HIS A 68 3.129 10.618 -15.436 1.00 65.45 H new ATOM 0 HB2 HIS A 68 5.169 11.463 -17.518 1.00 51.43 H new ATOM 0 HB3 HIS A 68 4.873 9.782 -17.121 1.00 51.43 H new ATOM 0 HD2 HIS A 68 2.140 8.925 -17.728 1.00 12.22 H new ATOM 0 HE1 HIS A 68 1.558 12.022 -20.558 1.00 34.52 H new ATOM 0 HE2 HIS A 68 0.659 9.813 -19.679 1.00 42.31 H new ATOM 924 N GLU A 69 5.981 11.819 -14.444 1.00 1.22 N ATOM 925 CA GLU A 69 7.118 11.613 -13.544 1.00 5.25 C ATOM 926 C GLU A 69 6.656 11.160 -12.164 1.00 31.03 C ATOM 927 O GLU A 69 7.235 10.245 -11.566 1.00 51.00 O ATOM 928 CB GLU A 69 7.940 12.890 -13.425 1.00 52.14 C ATOM 929 CG GLU A 69 8.449 13.410 -14.753 1.00 22.03 C ATOM 930 CD GLU A 69 9.193 12.358 -15.541 1.00 74.12 C ATOM 931 OE1 GLU A 69 10.278 11.935 -15.099 1.00 14.45 O ATOM 932 OE2 GLU A 69 8.701 11.953 -16.612 1.00 74.14 O ATOM 0 H GLU A 69 5.893 12.771 -14.799 1.00 1.22 H new ATOM 0 HA GLU A 69 7.741 10.826 -13.970 1.00 5.25 H new ATOM 0 HB2 GLU A 69 7.332 13.661 -12.952 1.00 52.14 H new ATOM 0 HB3 GLU A 69 8.789 12.705 -12.767 1.00 52.14 H new ATOM 0 HG2 GLU A 69 7.608 13.774 -15.343 1.00 22.03 H new ATOM 0 HG3 GLU A 69 9.107 14.261 -14.578 1.00 22.03 H new ATOM 939 N TRP A 70 5.611 11.800 -11.666 1.00 42.21 N ATOM 940 CA TRP A 70 5.045 11.452 -10.375 1.00 62.21 C ATOM 941 C TRP A 70 4.403 10.077 -10.437 1.00 60.31 C ATOM 942 O TRP A 70 4.535 9.285 -9.508 1.00 42.24 O ATOM 943 CB TRP A 70 4.005 12.511 -9.984 1.00 61.04 C ATOM 944 CG TRP A 70 3.360 12.306 -8.647 1.00 63.32 C ATOM 945 CD1 TRP A 70 3.790 12.790 -7.446 1.00 23.24 C ATOM 946 CD2 TRP A 70 2.157 11.575 -8.377 1.00 73.11 C ATOM 947 NE1 TRP A 70 2.929 12.404 -6.448 1.00 45.44 N ATOM 948 CE2 TRP A 70 1.922 11.654 -6.994 1.00 51.43 C ATOM 949 CE3 TRP A 70 1.260 10.857 -9.174 1.00 73.21 C ATOM 950 CZ2 TRP A 70 0.825 11.047 -6.390 1.00 30.20 C ATOM 951 CZ3 TRP A 70 0.174 10.255 -8.573 1.00 2.13 C ATOM 952 CH2 TRP A 70 -0.034 10.352 -7.194 1.00 44.12 C ATOM 0 H TRP A 70 5.136 12.568 -12.140 1.00 42.21 H new ATOM 0 HA TRP A 70 5.835 11.425 -9.624 1.00 62.21 H new ATOM 0 HB2 TRP A 70 4.485 13.490 -9.992 1.00 61.04 H new ATOM 0 HB3 TRP A 70 3.226 12.532 -10.746 1.00 61.04 H new ATOM 0 HD1 TRP A 70 4.677 13.389 -7.301 1.00 23.24 H new ATOM 0 HE1 TRP A 70 3.024 12.638 -5.460 1.00 45.44 H new ATOM 0 HE3 TRP A 70 1.414 10.775 -10.240 1.00 73.21 H new ATOM 0 HZ2 TRP A 70 0.659 11.122 -5.326 1.00 30.20 H new ATOM 0 HZ3 TRP A 70 -0.527 9.699 -9.178 1.00 2.13 H new ATOM 0 HH2 TRP A 70 -0.893 9.867 -6.754 1.00 44.12 H new ATOM 963 N GLN A 71 3.744 9.788 -11.544 1.00 70.45 N ATOM 964 CA GLN A 71 3.105 8.496 -11.729 1.00 13.13 C ATOM 965 C GLN A 71 4.149 7.377 -11.762 1.00 20.03 C ATOM 966 O GLN A 71 4.015 6.368 -11.066 1.00 61.05 O ATOM 967 CB GLN A 71 2.278 8.491 -13.008 1.00 5.33 C ATOM 968 CG GLN A 71 1.186 9.543 -13.029 1.00 63.14 C ATOM 969 CD GLN A 71 0.301 9.429 -14.243 1.00 64.21 C ATOM 970 OE1 GLN A 71 0.579 10.017 -15.288 1.00 12.54 O ATOM 971 NE2 GLN A 71 -0.775 8.679 -14.115 1.00 22.34 N ATOM 0 H GLN A 71 3.637 10.430 -12.329 1.00 70.45 H new ATOM 0 HA GLN A 71 2.439 8.318 -10.885 1.00 13.13 H new ATOM 0 HB2 GLN A 71 2.940 8.649 -13.859 1.00 5.33 H new ATOM 0 HB3 GLN A 71 1.826 7.507 -13.135 1.00 5.33 H new ATOM 0 HG2 GLN A 71 0.578 9.449 -12.129 1.00 63.14 H new ATOM 0 HG3 GLN A 71 1.640 10.534 -13.005 1.00 63.14 H new ATOM 0 HE21 GLN A 71 -0.967 8.209 -13.230 1.00 22.34 H new ATOM 0 HE22 GLN A 71 -1.416 8.568 -14.901 1.00 22.34 H new ATOM 980 N GLN A 72 5.183 7.565 -12.576 1.00 55.54 N ATOM 981 CA GLN A 72 6.275 6.599 -12.681 1.00 50.32 C ATOM 982 C GLN A 72 6.887 6.304 -11.321 1.00 61.42 C ATOM 983 O GLN A 72 7.013 5.145 -10.931 1.00 52.52 O ATOM 984 CB GLN A 72 7.351 7.097 -13.642 1.00 2.55 C ATOM 985 CG GLN A 72 6.896 7.176 -15.087 1.00 73.41 C ATOM 986 CD GLN A 72 6.463 5.833 -15.633 1.00 14.13 C ATOM 987 OE1 GLN A 72 5.296 5.460 -15.541 1.00 31.13 O ATOM 988 NE2 GLN A 72 7.400 5.099 -16.200 1.00 53.41 N ATOM 0 H GLN A 72 5.289 8.382 -13.177 1.00 55.54 H new ATOM 0 HA GLN A 72 5.854 5.673 -13.074 1.00 50.32 H new ATOM 0 HB2 GLN A 72 7.682 8.085 -13.321 1.00 2.55 H new ATOM 0 HB3 GLN A 72 8.215 6.435 -13.579 1.00 2.55 H new ATOM 0 HG2 GLN A 72 6.068 7.881 -15.166 1.00 73.41 H new ATOM 0 HG3 GLN A 72 7.708 7.569 -15.699 1.00 73.41 H new ATOM 0 HE21 GLN A 72 8.357 5.447 -16.255 1.00 53.41 H new ATOM 0 HE22 GLN A 72 7.168 4.183 -16.583 1.00 53.41 H new ATOM 997 N THR A 73 7.232 7.350 -10.586 1.00 51.01 N ATOM 998 CA THR A 73 7.837 7.178 -9.277 1.00 70.24 C ATOM 999 C THR A 73 6.847 6.494 -8.323 1.00 63.30 C ATOM 1000 O THR A 73 7.229 5.645 -7.512 1.00 0.44 O ATOM 1001 CB THR A 73 8.284 8.533 -8.691 1.00 23.32 C ATOM 1002 OG1 THR A 73 9.008 9.276 -9.691 1.00 51.04 O ATOM 1003 CG2 THR A 73 9.177 8.328 -7.474 1.00 21.14 C ATOM 0 H THR A 73 7.104 8.321 -10.872 1.00 51.01 H new ATOM 0 HA THR A 73 8.719 6.548 -9.391 1.00 70.24 H new ATOM 0 HB THR A 73 7.396 9.086 -8.385 1.00 23.32 H new ATOM 0 HG1 THR A 73 8.374 9.713 -10.297 1.00 51.04 H new ATOM 0 HG21 THR A 73 9.480 9.297 -7.078 1.00 21.14 H new ATOM 0 HG22 THR A 73 8.629 7.778 -6.709 1.00 21.14 H new ATOM 0 HG23 THR A 73 10.062 7.762 -7.763 1.00 21.14 H new ATOM 1011 N PHE A 74 5.577 6.876 -8.435 1.00 52.14 N ATOM 1012 CA PHE A 74 4.507 6.262 -7.657 1.00 73.01 C ATOM 1013 C PHE A 74 4.495 4.740 -7.843 1.00 50.15 C ATOM 1014 O PHE A 74 4.395 3.997 -6.874 1.00 40.33 O ATOM 1015 CB PHE A 74 3.151 6.858 -8.057 1.00 10.11 C ATOM 1016 CG PHE A 74 2.011 6.426 -7.185 1.00 3.33 C ATOM 1017 CD1 PHE A 74 1.779 7.054 -5.975 1.00 52.21 C ATOM 1018 CD2 PHE A 74 1.167 5.398 -7.574 1.00 44.33 C ATOM 1019 CE1 PHE A 74 0.732 6.669 -5.168 1.00 34.22 C ATOM 1020 CE2 PHE A 74 0.117 5.006 -6.769 1.00 54.20 C ATOM 1021 CZ PHE A 74 -0.100 5.645 -5.565 1.00 0.31 C ATOM 0 H PHE A 74 5.263 7.615 -9.064 1.00 52.14 H new ATOM 0 HA PHE A 74 4.689 6.473 -6.603 1.00 73.01 H new ATOM 0 HB2 PHE A 74 3.222 7.945 -8.031 1.00 10.11 H new ATOM 0 HB3 PHE A 74 2.933 6.577 -9.087 1.00 10.11 H new ATOM 0 HD1 PHE A 74 2.428 7.857 -5.659 1.00 52.21 H new ATOM 0 HD2 PHE A 74 1.333 4.898 -8.517 1.00 44.33 H new ATOM 0 HE1 PHE A 74 0.563 7.169 -4.226 1.00 34.22 H new ATOM 0 HE2 PHE A 74 -0.533 4.202 -7.080 1.00 54.20 H new ATOM 0 HZ PHE A 74 -0.922 5.342 -4.934 1.00 0.31 H new ATOM 1031 N SER A 75 4.594 4.281 -9.088 1.00 14.45 N ATOM 1032 CA SER A 75 4.619 2.846 -9.357 1.00 10.22 C ATOM 1033 C SER A 75 5.916 2.205 -8.844 1.00 72.11 C ATOM 1034 O SER A 75 5.909 1.068 -8.366 1.00 74.12 O ATOM 1035 CB SER A 75 4.421 2.562 -10.858 1.00 10.33 C ATOM 1036 OG SER A 75 5.415 3.195 -11.651 1.00 74.54 O ATOM 0 H SER A 75 4.657 4.873 -9.916 1.00 14.45 H new ATOM 0 HA SER A 75 3.788 2.394 -8.815 1.00 10.22 H new ATOM 0 HB2 SER A 75 4.449 1.486 -11.031 1.00 10.33 H new ATOM 0 HB3 SER A 75 3.435 2.909 -11.166 1.00 10.33 H new ATOM 0 HG SER A 75 5.984 3.751 -11.079 1.00 74.54 H new ATOM 1042 N GLN A 76 7.021 2.950 -8.938 1.00 23.51 N ATOM 1043 CA GLN A 76 8.327 2.472 -8.474 1.00 25.02 C ATOM 1044 C GLN A 76 8.286 2.053 -7.009 1.00 43.20 C ATOM 1045 O GLN A 76 8.767 0.971 -6.656 1.00 74.01 O ATOM 1046 CB GLN A 76 9.405 3.542 -8.677 1.00 44.15 C ATOM 1047 CG GLN A 76 9.715 3.848 -10.134 1.00 64.11 C ATOM 1048 CD GLN A 76 10.438 2.717 -10.847 1.00 53.04 C ATOM 1049 OE1 GLN A 76 10.279 1.540 -10.516 1.00 15.20 O ATOM 1050 NE2 GLN A 76 11.237 3.068 -11.830 1.00 14.10 N ATOM 0 H GLN A 76 7.037 3.890 -9.333 1.00 23.51 H new ATOM 0 HA GLN A 76 8.577 1.596 -9.073 1.00 25.02 H new ATOM 0 HB2 GLN A 76 9.086 4.461 -8.185 1.00 44.15 H new ATOM 0 HB3 GLN A 76 10.321 3.217 -8.183 1.00 44.15 H new ATOM 0 HG2 GLN A 76 8.784 4.062 -10.659 1.00 64.11 H new ATOM 0 HG3 GLN A 76 10.325 4.750 -10.186 1.00 64.11 H new ATOM 0 HE21 GLN A 76 11.343 4.053 -12.075 1.00 14.10 H new ATOM 0 HE22 GLN A 76 11.751 2.356 -12.348 1.00 14.10 H new ATOM 1059 N GLN A 77 7.719 2.909 -6.153 1.00 62.33 N ATOM 1060 CA GLN A 77 7.627 2.602 -4.725 1.00 70.44 C ATOM 1061 C GLN A 77 6.843 1.309 -4.488 1.00 13.44 C ATOM 1062 O GLN A 77 7.175 0.532 -3.600 1.00 42.30 O ATOM 1063 CB GLN A 77 6.996 3.759 -3.932 1.00 12.23 C ATOM 1064 CG GLN A 77 5.489 3.859 -4.065 1.00 1.55 C ATOM 1065 CD GLN A 77 4.885 4.903 -3.159 1.00 0.44 C ATOM 1066 OE1 GLN A 77 5.407 5.200 -2.095 1.00 62.33 O ATOM 1067 NE2 GLN A 77 3.769 5.448 -3.571 1.00 20.40 N ATOM 0 H GLN A 77 7.322 3.809 -6.421 1.00 62.33 H new ATOM 0 HA GLN A 77 8.646 2.463 -4.363 1.00 70.44 H new ATOM 0 HB2 GLN A 77 7.249 3.642 -2.878 1.00 12.23 H new ATOM 0 HB3 GLN A 77 7.441 4.697 -4.264 1.00 12.23 H new ATOM 0 HG2 GLN A 77 5.236 4.093 -5.099 1.00 1.55 H new ATOM 0 HG3 GLN A 77 5.045 2.889 -3.840 1.00 1.55 H new ATOM 0 HE21 GLN A 77 3.367 5.171 -4.467 1.00 20.40 H new ATOM 0 HE22 GLN A 77 3.302 6.149 -2.997 1.00 20.40 H new ATOM 1076 N VAL A 78 5.845 1.053 -5.334 1.00 43.14 N ATOM 1077 CA VAL A 78 5.001 -0.123 -5.178 1.00 23.50 C ATOM 1078 C VAL A 78 5.758 -1.360 -5.620 1.00 1.35 C ATOM 1079 O VAL A 78 5.618 -2.434 -5.028 1.00 64.41 O ATOM 1080 CB VAL A 78 3.687 0.004 -5.992 1.00 54.32 C ATOM 1081 CG1 VAL A 78 2.799 -1.220 -5.792 1.00 5.11 C ATOM 1082 CG2 VAL A 78 2.940 1.272 -5.604 1.00 12.10 C ATOM 0 H VAL A 78 5.605 1.644 -6.130 1.00 43.14 H new ATOM 0 HA VAL A 78 4.736 -0.207 -4.124 1.00 23.50 H new ATOM 0 HB VAL A 78 3.949 0.063 -7.048 1.00 54.32 H new ATOM 0 HG11 VAL A 78 1.884 -1.105 -6.374 1.00 5.11 H new ATOM 0 HG12 VAL A 78 3.330 -2.113 -6.123 1.00 5.11 H new ATOM 0 HG13 VAL A 78 2.547 -1.318 -4.736 1.00 5.11 H new ATOM 0 HG21 VAL A 78 2.021 1.345 -6.185 1.00 12.10 H new ATOM 0 HG22 VAL A 78 2.697 1.240 -4.542 1.00 12.10 H new ATOM 0 HG23 VAL A 78 3.567 2.140 -5.807 1.00 12.10 H new ATOM 1092 N MET A 79 6.584 -1.198 -6.644 1.00 24.35 N ATOM 1093 CA MET A 79 7.437 -2.279 -7.103 1.00 23.11 C ATOM 1094 C MET A 79 8.409 -2.658 -6.001 1.00 33.44 C ATOM 1095 O MET A 79 8.728 -3.823 -5.812 1.00 61.31 O ATOM 1096 CB MET A 79 8.197 -1.880 -8.368 1.00 52.00 C ATOM 1097 CG MET A 79 7.329 -1.830 -9.611 1.00 45.12 C ATOM 1098 SD MET A 79 6.627 -3.441 -10.024 1.00 32.11 S ATOM 1099 CE MET A 79 5.656 -3.023 -11.467 1.00 74.03 C ATOM 0 H MET A 79 6.680 -0.329 -7.170 1.00 24.35 H new ATOM 0 HA MET A 79 6.812 -3.138 -7.347 1.00 23.11 H new ATOM 0 HB2 MET A 79 8.652 -0.902 -8.214 1.00 52.00 H new ATOM 0 HB3 MET A 79 9.010 -2.588 -8.531 1.00 52.00 H new ATOM 0 HG2 MET A 79 6.522 -1.113 -9.459 1.00 45.12 H new ATOM 0 HG3 MET A 79 7.922 -1.469 -10.451 1.00 45.12 H new ATOM 0 HE1 MET A 79 4.662 -3.461 -11.376 1.00 74.03 H new ATOM 0 HE2 MET A 79 5.569 -1.939 -11.546 1.00 74.03 H new ATOM 0 HE3 MET A 79 6.144 -3.414 -12.360 1.00 74.03 H new ATOM 1109 N LEU A 80 8.856 -1.661 -5.259 1.00 51.43 N ATOM 1110 CA LEU A 80 9.755 -1.885 -4.146 1.00 64.42 C ATOM 1111 C LEU A 80 9.030 -2.645 -3.038 1.00 5.44 C ATOM 1112 O LEU A 80 9.553 -3.619 -2.492 1.00 22.33 O ATOM 1113 CB LEU A 80 10.278 -0.552 -3.609 1.00 13.11 C ATOM 1114 CG LEU A 80 11.308 -0.644 -2.487 1.00 53.34 C ATOM 1115 CD1 LEU A 80 12.620 -1.222 -3.002 1.00 55.42 C ATOM 1116 CD2 LEU A 80 11.526 0.718 -1.849 1.00 20.05 C ATOM 0 H LEU A 80 8.608 -0.683 -5.410 1.00 51.43 H new ATOM 0 HA LEU A 80 10.601 -2.478 -4.492 1.00 64.42 H new ATOM 0 HB2 LEU A 80 10.719 0.003 -4.437 1.00 13.11 H new ATOM 0 HB3 LEU A 80 9.430 0.031 -3.251 1.00 13.11 H new ATOM 0 HG LEU A 80 10.923 -1.319 -1.723 1.00 53.34 H new ATOM 0 HD11 LEU A 80 13.339 -1.278 -2.184 1.00 55.42 H new ATOM 0 HD12 LEU A 80 12.446 -2.221 -3.401 1.00 55.42 H new ATOM 0 HD13 LEU A 80 13.016 -0.581 -3.790 1.00 55.42 H new ATOM 0 HD21 LEU A 80 12.264 0.632 -1.051 1.00 20.05 H new ATOM 0 HD22 LEU A 80 11.886 1.419 -2.602 1.00 20.05 H new ATOM 0 HD23 LEU A 80 10.585 1.081 -1.436 1.00 20.05 H new ATOM 1128 N PHE A 81 7.830 -2.178 -2.698 1.00 63.13 N ATOM 1129 CA PHE A 81 7.005 -2.825 -1.675 1.00 53.30 C ATOM 1130 C PHE A 81 6.760 -4.302 -1.993 1.00 21.32 C ATOM 1131 O PHE A 81 6.967 -5.163 -1.137 1.00 74.54 O ATOM 1132 CB PHE A 81 5.662 -2.096 -1.499 1.00 42.32 C ATOM 1133 CG PHE A 81 5.790 -0.632 -1.153 1.00 31.44 C ATOM 1134 CD1 PHE A 81 6.891 -0.155 -0.452 1.00 40.03 C ATOM 1135 CD2 PHE A 81 4.810 0.267 -1.541 1.00 22.34 C ATOM 1136 CE1 PHE A 81 7.009 1.186 -0.147 1.00 23.11 C ATOM 1137 CE2 PHE A 81 4.923 1.611 -1.238 1.00 20.45 C ATOM 1138 CZ PHE A 81 6.025 2.070 -0.540 1.00 31.52 C ATOM 0 H PHE A 81 7.405 -1.351 -3.117 1.00 63.13 H new ATOM 0 HA PHE A 81 7.561 -2.767 -0.739 1.00 53.30 H new ATOM 0 HB2 PHE A 81 5.087 -2.191 -2.420 1.00 42.32 H new ATOM 0 HB3 PHE A 81 5.092 -2.594 -0.715 1.00 42.32 H new ATOM 0 HD1 PHE A 81 7.664 -0.842 -0.142 1.00 40.03 H new ATOM 0 HD2 PHE A 81 3.948 -0.086 -2.087 1.00 22.34 H new ATOM 0 HE1 PHE A 81 7.870 1.543 0.398 1.00 23.11 H new ATOM 0 HE2 PHE A 81 4.152 2.302 -1.546 1.00 20.45 H new ATOM 0 HZ PHE A 81 6.115 3.120 -0.303 1.00 31.52 H new ATOM 1148 N THR A 82 6.339 -4.597 -3.226 1.00 4.22 N ATOM 1149 CA THR A 82 6.063 -5.977 -3.616 1.00 3.15 C ATOM 1150 C THR A 82 7.350 -6.820 -3.620 1.00 74.53 C ATOM 1151 O THR A 82 7.306 -8.033 -3.419 1.00 11.13 O ATOM 1152 CB THR A 82 5.338 -6.074 -4.999 1.00 1.21 C ATOM 1153 OG1 THR A 82 4.923 -7.424 -5.247 1.00 15.53 O ATOM 1154 CG2 THR A 82 6.238 -5.617 -6.134 1.00 61.35 C ATOM 0 H THR A 82 6.184 -3.907 -3.961 1.00 4.22 H new ATOM 0 HA THR A 82 5.383 -6.382 -2.867 1.00 3.15 H new ATOM 0 HB THR A 82 4.469 -5.418 -4.958 1.00 1.21 H new ATOM 0 HG1 THR A 82 4.469 -7.473 -6.114 1.00 15.53 H new ATOM 0 HG21 THR A 82 5.701 -5.698 -7.079 1.00 61.35 H new ATOM 0 HG22 THR A 82 6.531 -4.580 -5.971 1.00 61.35 H new ATOM 0 HG23 THR A 82 7.129 -6.245 -6.167 1.00 61.35 H new ATOM 1162 N ARG A 83 8.496 -6.166 -3.831 1.00 33.31 N ATOM 1163 CA ARG A 83 9.786 -6.851 -3.803 1.00 64.13 C ATOM 1164 C ARG A 83 10.130 -7.276 -2.384 1.00 75.43 C ATOM 1165 O ARG A 83 10.537 -8.413 -2.148 1.00 74.41 O ATOM 1166 CB ARG A 83 10.899 -5.953 -4.362 1.00 40.43 C ATOM 1167 CG ARG A 83 10.917 -5.852 -5.880 1.00 23.55 C ATOM 1168 CD ARG A 83 11.859 -4.753 -6.360 1.00 31.20 C ATOM 1169 NE ARG A 83 13.237 -4.952 -5.902 1.00 70.44 N ATOM 1170 CZ ARG A 83 14.254 -4.135 -6.198 1.00 24.44 C ATOM 1171 NH1 ARG A 83 14.053 -3.055 -6.952 1.00 34.12 N ATOM 1172 NH2 ARG A 83 15.471 -4.401 -5.741 1.00 63.11 N ATOM 0 H ARG A 83 8.554 -5.166 -4.022 1.00 33.31 H new ATOM 0 HA ARG A 83 9.708 -7.737 -4.433 1.00 64.13 H new ATOM 0 HB2 ARG A 83 10.787 -4.953 -3.944 1.00 40.43 H new ATOM 0 HB3 ARG A 83 11.862 -6.334 -4.023 1.00 40.43 H new ATOM 0 HG2 ARG A 83 11.226 -6.807 -6.305 1.00 23.55 H new ATOM 0 HG3 ARG A 83 9.909 -5.652 -6.244 1.00 23.55 H new ATOM 0 HD2 ARG A 83 11.844 -4.717 -7.449 1.00 31.20 H new ATOM 0 HD3 ARG A 83 11.497 -3.788 -6.004 1.00 31.20 H new ATOM 0 HE ARG A 83 13.433 -5.766 -5.320 1.00 70.44 H new ATOM 0 HH11 ARG A 83 13.120 -2.847 -7.307 1.00 34.12 H new ATOM 0 HH12 ARG A 83 14.833 -2.436 -7.174 1.00 34.12 H new ATOM 0 HH21 ARG A 83 15.630 -5.228 -5.165 1.00 63.11 H new ATOM 0 HH22 ARG A 83 16.247 -3.779 -5.966 1.00 63.11 H new ATOM 1186 N GLN A 84 9.950 -6.363 -1.440 1.00 42.40 N ATOM 1187 CA GLN A 84 10.246 -6.631 -0.038 1.00 62.34 C ATOM 1188 C GLN A 84 9.187 -7.530 0.588 1.00 71.32 C ATOM 1189 O GLN A 84 9.489 -8.336 1.466 1.00 72.12 O ATOM 1190 CB GLN A 84 10.329 -5.317 0.733 1.00 71.22 C ATOM 1191 CG GLN A 84 11.384 -4.364 0.203 1.00 2.43 C ATOM 1192 CD GLN A 84 11.303 -3.000 0.843 1.00 2.24 C ATOM 1193 OE1 GLN A 84 11.939 -2.736 1.866 1.00 22.53 O ATOM 1194 NE2 GLN A 84 10.529 -2.121 0.247 1.00 43.41 N ATOM 0 H GLN A 84 9.598 -5.423 -1.621 1.00 42.40 H new ATOM 0 HA GLN A 84 11.204 -7.148 0.014 1.00 62.34 H new ATOM 0 HB2 GLN A 84 9.357 -4.824 0.699 1.00 71.22 H new ATOM 0 HB3 GLN A 84 10.541 -5.533 1.780 1.00 71.22 H new ATOM 0 HG2 GLN A 84 12.373 -4.787 0.380 1.00 2.43 H new ATOM 0 HG3 GLN A 84 11.269 -4.263 -0.876 1.00 2.43 H new ATOM 0 HE21 GLN A 84 10.020 -2.380 -0.598 1.00 43.41 H new ATOM 0 HE22 GLN A 84 10.438 -1.180 0.629 1.00 43.41 H new ATOM 1203 N GLY A 85 7.955 -7.397 0.129 1.00 52.23 N ATOM 1204 CA GLY A 85 6.878 -8.204 0.661 1.00 14.51 C ATOM 1205 C GLY A 85 6.026 -7.451 1.660 1.00 55.13 C ATOM 1206 O GLY A 85 5.152 -8.032 2.299 1.00 34.43 O ATOM 0 H GLY A 85 7.680 -6.743 -0.604 1.00 52.23 H new ATOM 0 HA2 GLY A 85 6.249 -8.551 -0.159 1.00 14.51 H new ATOM 0 HA3 GLY A 85 7.295 -9.090 1.139 1.00 14.51 H new ATOM 1210 N GLN A 86 6.277 -6.157 1.798 1.00 31.53 N ATOM 1211 CA GLN A 86 5.514 -5.340 2.727 1.00 55.22 C ATOM 1212 C GLN A 86 4.208 -4.868 2.101 1.00 53.55 C ATOM 1213 O GLN A 86 4.209 -4.165 1.089 1.00 32.32 O ATOM 1214 CB GLN A 86 6.333 -4.139 3.227 1.00 50.40 C ATOM 1215 CG GLN A 86 6.928 -3.271 2.124 1.00 4.41 C ATOM 1216 CD GLN A 86 7.516 -1.971 2.650 1.00 3.25 C ATOM 1217 OE1 GLN A 86 8.498 -1.459 2.117 1.00 40.33 O ATOM 1218 NE2 GLN A 86 6.904 -1.413 3.675 1.00 63.24 N ATOM 0 H GLN A 86 6.999 -5.654 1.282 1.00 31.53 H new ATOM 0 HA GLN A 86 5.277 -5.967 3.586 1.00 55.22 H new ATOM 0 HB2 GLN A 86 5.695 -3.518 3.855 1.00 50.40 H new ATOM 0 HB3 GLN A 86 7.142 -4.506 3.858 1.00 50.40 H new ATOM 0 HG2 GLN A 86 7.705 -3.832 1.606 1.00 4.41 H new ATOM 0 HG3 GLN A 86 6.155 -3.044 1.390 1.00 4.41 H new ATOM 0 HE21 GLN A 86 6.091 -1.867 4.092 1.00 63.24 H new ATOM 0 HE22 GLN A 86 7.243 -0.527 4.051 1.00 63.24 H new ATOM 1227 N GLN A 87 3.097 -5.288 2.683 1.00 51.02 N ATOM 1228 CA GLN A 87 1.791 -4.868 2.205 1.00 41.42 C ATOM 1229 C GLN A 87 1.486 -3.448 2.688 1.00 63.40 C ATOM 1230 O GLN A 87 0.871 -2.645 1.979 1.00 64.44 O ATOM 1231 CB GLN A 87 0.698 -5.846 2.663 1.00 64.44 C ATOM 1232 CG GLN A 87 0.414 -5.835 4.156 1.00 34.52 C ATOM 1233 CD GLN A 87 -0.769 -6.701 4.518 1.00 34.43 C ATOM 1234 OE1 GLN A 87 -1.910 -6.241 4.536 1.00 31.55 O ATOM 1235 NE2 GLN A 87 -0.511 -7.955 4.811 1.00 1.10 N ATOM 0 H GLN A 87 3.073 -5.918 3.485 1.00 51.02 H new ATOM 0 HA GLN A 87 1.804 -4.870 1.115 1.00 41.42 H new ATOM 0 HB2 GLN A 87 -0.224 -5.613 2.131 1.00 64.44 H new ATOM 0 HB3 GLN A 87 0.988 -6.855 2.371 1.00 64.44 H new ATOM 0 HG2 GLN A 87 1.295 -6.183 4.694 1.00 34.52 H new ATOM 0 HG3 GLN A 87 0.226 -4.812 4.481 1.00 34.52 H new ATOM 0 HE21 GLN A 87 0.449 -8.298 4.784 1.00 1.10 H new ATOM 0 HE22 GLN A 87 -1.271 -8.586 5.065 1.00 1.10 H new ATOM 1244 N SER A 88 1.922 -3.158 3.901 1.00 5.13 N ATOM 1245 CA SER A 88 1.724 -1.863 4.512 1.00 3.45 C ATOM 1246 C SER A 88 2.944 -0.974 4.300 1.00 72.11 C ATOM 1247 O SER A 88 4.084 -1.417 4.489 1.00 54.13 O ATOM 1248 CB SER A 88 1.445 -2.048 6.003 1.00 14.52 C ATOM 1249 OG SER A 88 2.338 -2.999 6.579 1.00 63.53 O ATOM 0 H SER A 88 2.426 -3.821 4.490 1.00 5.13 H new ATOM 0 HA SER A 88 0.871 -1.373 4.044 1.00 3.45 H new ATOM 0 HB2 SER A 88 1.547 -1.092 6.516 1.00 14.52 H new ATOM 0 HB3 SER A 88 0.416 -2.378 6.145 1.00 14.52 H new ATOM 0 HG SER A 88 2.140 -3.098 7.534 1.00 63.53 H new ATOM 1255 N ALA A 89 2.715 0.273 3.904 1.00 23.42 N ATOM 1256 CA ALA A 89 3.807 1.206 3.679 1.00 51.55 C ATOM 1257 C ALA A 89 3.371 2.654 3.878 1.00 31.34 C ATOM 1258 O ALA A 89 2.227 3.022 3.586 1.00 14.33 O ATOM 1259 CB ALA A 89 4.365 1.022 2.281 1.00 25.34 C ATOM 0 H ALA A 89 1.786 0.658 3.733 1.00 23.42 H new ATOM 0 HA ALA A 89 4.581 0.991 4.416 1.00 51.55 H new ATOM 0 HB1 ALA A 89 5.183 1.725 2.120 1.00 25.34 H new ATOM 0 HB2 ALA A 89 4.735 0.003 2.168 1.00 25.34 H new ATOM 0 HB3 ALA A 89 3.579 1.206 1.548 1.00 25.34 H new ATOM 1265 N GLN A 90 4.284 3.463 4.401 1.00 20.42 N ATOM 1266 CA GLN A 90 4.049 4.888 4.602 1.00 61.34 C ATOM 1267 C GLN A 90 5.241 5.681 4.073 1.00 1.52 C ATOM 1268 O GLN A 90 6.382 5.427 4.460 1.00 53.54 O ATOM 1269 CB GLN A 90 3.823 5.222 6.094 1.00 43.41 C ATOM 1270 CG GLN A 90 2.533 4.657 6.695 1.00 62.02 C ATOM 1271 CD GLN A 90 2.609 3.171 7.002 1.00 21.33 C ATOM 1272 OE1 GLN A 90 3.669 2.644 7.323 1.00 64.43 O ATOM 1273 NE2 GLN A 90 1.484 2.489 6.894 1.00 42.34 N ATOM 0 H GLN A 90 5.208 3.150 4.698 1.00 20.42 H new ATOM 0 HA GLN A 90 3.146 5.162 4.056 1.00 61.34 H new ATOM 0 HB2 GLN A 90 4.669 4.844 6.668 1.00 43.41 H new ATOM 0 HB3 GLN A 90 3.817 6.306 6.211 1.00 43.41 H new ATOM 0 HG2 GLN A 90 2.301 5.198 7.612 1.00 62.02 H new ATOM 0 HG3 GLN A 90 1.710 4.836 6.003 1.00 62.02 H new ATOM 0 HE21 GLN A 90 0.623 2.965 6.624 1.00 42.34 H new ATOM 0 HE22 GLN A 90 1.476 1.486 7.080 1.00 42.34 H new ATOM 1282 N LEU A 91 4.980 6.628 3.190 1.00 34.11 N ATOM 1283 CA LEU A 91 6.045 7.433 2.598 1.00 24.41 C ATOM 1284 C LEU A 91 5.752 8.920 2.794 1.00 54.44 C ATOM 1285 O LEU A 91 4.602 9.304 3.032 1.00 40.41 O ATOM 1286 CB LEU A 91 6.171 7.116 1.098 1.00 61.24 C ATOM 1287 CG LEU A 91 7.431 7.645 0.399 1.00 12.34 C ATOM 1288 CD1 LEU A 91 8.657 6.854 0.825 1.00 1.03 C ATOM 1289 CD2 LEU A 91 7.266 7.602 -1.111 1.00 63.44 C ATOM 0 H LEU A 91 4.042 6.862 2.864 1.00 34.11 H new ATOM 0 HA LEU A 91 6.986 7.191 3.093 1.00 24.41 H new ATOM 0 HB2 LEU A 91 6.138 6.034 0.972 1.00 61.24 H new ATOM 0 HB3 LEU A 91 5.299 7.523 0.587 1.00 61.24 H new ATOM 0 HG LEU A 91 7.574 8.683 0.699 1.00 12.34 H new ATOM 0 HD11 LEU A 91 9.538 7.247 0.317 1.00 1.03 H new ATOM 0 HD12 LEU A 91 8.790 6.942 1.903 1.00 1.03 H new ATOM 0 HD13 LEU A 91 8.523 5.805 0.561 1.00 1.03 H new ATOM 0 HD21 LEU A 91 8.170 7.981 -1.587 1.00 63.44 H new ATOM 0 HD22 LEU A 91 7.093 6.574 -1.429 1.00 63.44 H new ATOM 0 HD23 LEU A 91 6.417 8.220 -1.402 1.00 63.44 H new ATOM 1301 N ARG A 92 6.790 9.753 2.697 1.00 14.42 N ATOM 1302 CA ARG A 92 6.626 11.197 2.834 1.00 42.41 C ATOM 1303 C ARG A 92 6.091 11.764 1.524 1.00 2.40 C ATOM 1304 O ARG A 92 6.705 11.604 0.466 1.00 72.42 O ATOM 1305 CB ARG A 92 7.966 11.857 3.216 1.00 4.32 C ATOM 1306 CG ARG A 92 7.836 13.184 3.976 1.00 75.52 C ATOM 1307 CD ARG A 92 7.366 14.327 3.085 1.00 65.30 C ATOM 1308 NE ARG A 92 7.146 15.563 3.851 1.00 25.13 N ATOM 1309 CZ ARG A 92 7.382 16.798 3.387 1.00 52.34 C ATOM 1310 NH1 ARG A 92 7.892 16.979 2.180 1.00 54.33 N ATOM 1311 NH2 ARG A 92 7.118 17.854 4.143 1.00 42.42 N ATOM 0 H ARG A 92 7.749 9.451 2.525 1.00 14.42 H new ATOM 0 HA ARG A 92 5.914 11.411 3.631 1.00 42.41 H new ATOM 0 HB2 ARG A 92 8.538 11.159 3.827 1.00 4.32 H new ATOM 0 HB3 ARG A 92 8.542 12.030 2.307 1.00 4.32 H new ATOM 0 HG2 ARG A 92 7.134 13.059 4.800 1.00 75.52 H new ATOM 0 HG3 ARG A 92 8.800 13.443 4.415 1.00 75.52 H new ATOM 0 HD2 ARG A 92 8.107 14.509 2.307 1.00 65.30 H new ATOM 0 HD3 ARG A 92 6.441 14.041 2.584 1.00 65.30 H new ATOM 0 HE ARG A 92 6.789 15.474 4.802 1.00 25.13 H new ATOM 0 HH11 ARG A 92 8.110 16.174 1.592 1.00 54.33 H new ATOM 0 HH12 ARG A 92 8.068 17.923 1.837 1.00 54.33 H new ATOM 0 HH21 ARG A 92 6.735 17.728 5.080 1.00 42.42 H new ATOM 0 HH22 ARG A 92 7.298 18.793 3.788 1.00 42.42 H new ATOM 1325 N LEU A 93 4.956 12.433 1.610 1.00 1.32 N ATOM 1326 CA LEU A 93 4.269 12.921 0.424 1.00 62.43 C ATOM 1327 C LEU A 93 3.780 14.352 0.567 1.00 40.55 C ATOM 1328 O LEU A 93 3.740 14.913 1.661 1.00 1.40 O ATOM 1329 CB LEU A 93 3.076 12.019 0.106 1.00 33.24 C ATOM 1330 CG LEU A 93 3.194 11.127 -1.136 1.00 33.34 C ATOM 1331 CD1 LEU A 93 3.475 11.961 -2.374 1.00 42.25 C ATOM 1332 CD2 LEU A 93 4.258 10.058 -0.944 1.00 53.01 C ATOM 0 H LEU A 93 4.488 12.652 2.489 1.00 1.32 H new ATOM 0 HA LEU A 93 4.997 12.902 -0.387 1.00 62.43 H new ATOM 0 HB2 LEU A 93 2.896 11.378 0.969 1.00 33.24 H new ATOM 0 HB3 LEU A 93 2.195 12.650 -0.012 1.00 33.24 H new ATOM 0 HG LEU A 93 2.239 10.622 -1.279 1.00 33.34 H new ATOM 0 HD11 LEU A 93 3.555 11.307 -3.243 1.00 42.25 H new ATOM 0 HD12 LEU A 93 2.662 12.670 -2.527 1.00 42.25 H new ATOM 0 HD13 LEU A 93 4.411 12.505 -2.242 1.00 42.25 H new ATOM 0 HD21 LEU A 93 4.319 9.441 -1.840 1.00 53.01 H new ATOM 0 HD22 LEU A 93 5.222 10.533 -0.764 1.00 53.01 H new ATOM 0 HD23 LEU A 93 3.996 9.433 -0.090 1.00 53.01 H new ATOM 1344 N HIS A 94 3.415 14.922 -0.573 1.00 43.41 N ATOM 1345 CA HIS A 94 2.853 16.258 -0.646 1.00 14.35 C ATOM 1346 C HIS A 94 1.416 16.180 -1.182 1.00 22.43 C ATOM 1347 O HIS A 94 1.087 15.227 -1.893 1.00 31.03 O ATOM 1348 CB HIS A 94 3.726 17.185 -1.527 1.00 71.45 C ATOM 1349 CG HIS A 94 3.858 16.761 -2.966 1.00 11.44 C ATOM 1350 ND1 HIS A 94 4.828 15.890 -3.407 1.00 11.41 N ATOM 1351 CD2 HIS A 94 3.147 17.111 -4.066 1.00 74.04 C ATOM 1352 CE1 HIS A 94 4.711 15.724 -4.709 1.00 20.13 C ATOM 1353 NE2 HIS A 94 3.701 16.453 -5.138 1.00 10.02 N ATOM 0 H HIS A 94 3.503 14.464 -1.480 1.00 43.41 H new ATOM 0 HA HIS A 94 2.835 16.688 0.355 1.00 14.35 H new ATOM 0 HB2 HIS A 94 3.305 18.190 -1.498 1.00 71.45 H new ATOM 0 HB3 HIS A 94 4.722 17.244 -1.089 1.00 71.45 H new ATOM 0 HD2 HIS A 94 2.302 17.783 -4.095 1.00 74.04 H new ATOM 0 HE1 HIS A 94 5.339 15.095 -5.323 1.00 20.13 H new ATOM 0 HE2 HIS A 94 3.383 16.518 -6.105 1.00 10.02 H new ATOM 1362 N PRO A 95 0.524 17.168 -0.872 1.00 52.41 N ATOM 1363 CA PRO A 95 0.829 18.369 -0.054 1.00 73.43 C ATOM 1364 C PRO A 95 1.558 18.057 1.250 1.00 13.51 C ATOM 1365 O PRO A 95 1.140 17.199 2.020 1.00 34.32 O ATOM 1366 CB PRO A 95 -0.551 18.951 0.239 1.00 74.01 C ATOM 1367 CG PRO A 95 -1.379 18.534 -0.921 1.00 22.45 C ATOM 1368 CD PRO A 95 -0.882 17.172 -1.318 1.00 52.11 C ATOM 0 HA PRO A 95 1.503 19.043 -0.583 1.00 73.43 H new ATOM 0 HB2 PRO A 95 -0.955 18.565 1.175 1.00 74.01 H new ATOM 0 HB3 PRO A 95 -0.514 20.036 0.331 1.00 74.01 H new ATOM 0 HG2 PRO A 95 -2.435 18.501 -0.654 1.00 22.45 H new ATOM 0 HG3 PRO A 95 -1.280 19.241 -1.745 1.00 22.45 H new ATOM 0 HD2 PRO A 95 -1.457 16.380 -0.837 1.00 52.11 H new ATOM 0 HD3 PRO A 95 -0.961 17.015 -2.394 1.00 52.11 H new ATOM 1376 N GLU A 96 2.661 18.760 1.450 1.00 30.44 N ATOM 1377 CA GLU A 96 3.527 18.571 2.615 1.00 41.40 C ATOM 1378 C GLU A 96 2.744 18.556 3.934 1.00 11.13 C ATOM 1379 O GLU A 96 3.077 17.791 4.838 1.00 60.44 O ATOM 1380 CB GLU A 96 4.646 19.608 2.634 1.00 60.23 C ATOM 1381 CG GLU A 96 5.548 19.518 1.411 1.00 23.35 C ATOM 1382 CD GLU A 96 6.815 20.333 1.537 1.00 64.42 C ATOM 1383 OE1 GLU A 96 6.776 21.552 1.263 1.00 53.32 O ATOM 1384 OE2 GLU A 96 7.868 19.749 1.881 1.00 4.15 O ATOM 0 H GLU A 96 2.987 19.483 0.809 1.00 30.44 H new ATOM 0 HA GLU A 96 3.982 17.585 2.521 1.00 41.40 H new ATOM 0 HB2 GLU A 96 4.211 20.606 2.687 1.00 60.23 H new ATOM 0 HB3 GLU A 96 5.246 19.473 3.534 1.00 60.23 H new ATOM 0 HG2 GLU A 96 5.812 18.474 1.240 1.00 23.35 H new ATOM 0 HG3 GLU A 96 4.994 19.855 0.535 1.00 23.35 H new ATOM 1391 N GLU A 97 1.723 19.417 4.047 1.00 4.11 N ATOM 1392 CA GLU A 97 0.826 19.425 5.220 1.00 72.12 C ATOM 1393 C GLU A 97 0.324 18.014 5.595 1.00 42.42 C ATOM 1394 O GLU A 97 0.094 17.727 6.772 1.00 53.13 O ATOM 1395 CB GLU A 97 -0.380 20.344 4.976 1.00 44.23 C ATOM 1396 CG GLU A 97 -1.271 19.899 3.823 1.00 23.04 C ATOM 1397 CD GLU A 97 -2.586 20.641 3.777 1.00 41.52 C ATOM 1398 OE1 GLU A 97 -2.651 21.701 3.128 1.00 41.34 O ATOM 1399 OE2 GLU A 97 -3.568 20.159 4.381 1.00 21.34 O ATOM 0 H GLU A 97 1.495 20.118 3.343 1.00 4.11 H new ATOM 0 HA GLU A 97 1.417 19.802 6.055 1.00 72.12 H new ATOM 0 HB2 GLU A 97 -0.978 20.393 5.886 1.00 44.23 H new ATOM 0 HB3 GLU A 97 -0.021 21.354 4.776 1.00 44.23 H new ATOM 0 HG2 GLU A 97 -0.742 20.049 2.882 1.00 23.04 H new ATOM 0 HG3 GLU A 97 -1.465 18.830 3.912 1.00 23.04 H new ATOM 1406 N LEU A 98 0.144 17.147 4.595 1.00 52.21 N ATOM 1407 CA LEU A 98 -0.334 15.784 4.835 1.00 61.32 C ATOM 1408 C LEU A 98 0.706 14.975 5.593 1.00 14.20 C ATOM 1409 O LEU A 98 0.368 14.060 6.346 1.00 11.15 O ATOM 1410 CB LEU A 98 -0.672 15.079 3.515 1.00 3.51 C ATOM 1411 CG LEU A 98 -1.680 15.788 2.606 1.00 73.53 C ATOM 1412 CD1 LEU A 98 -1.992 14.933 1.390 1.00 45.23 C ATOM 1413 CD2 LEU A 98 -2.953 16.120 3.364 1.00 73.55 C ATOM 0 H LEU A 98 0.322 17.364 3.614 1.00 52.21 H new ATOM 0 HA LEU A 98 -1.240 15.854 5.437 1.00 61.32 H new ATOM 0 HB2 LEU A 98 0.253 14.938 2.956 1.00 3.51 H new ATOM 0 HB3 LEU A 98 -1.059 14.087 3.746 1.00 3.51 H new ATOM 0 HG LEU A 98 -1.233 16.723 2.268 1.00 73.53 H new ATOM 0 HD11 LEU A 98 -2.710 15.452 0.755 1.00 45.23 H new ATOM 0 HD12 LEU A 98 -1.076 14.751 0.828 1.00 45.23 H new ATOM 0 HD13 LEU A 98 -2.415 13.982 1.713 1.00 45.23 H new ATOM 0 HD21 LEU A 98 -3.653 16.623 2.697 1.00 73.55 H new ATOM 0 HD22 LEU A 98 -3.404 15.201 3.737 1.00 73.55 H new ATOM 0 HD23 LEU A 98 -2.717 16.775 4.203 1.00 73.55 H new ATOM 1425 N GLY A 99 1.969 15.322 5.395 1.00 32.54 N ATOM 1426 CA GLY A 99 3.060 14.640 6.059 1.00 31.31 C ATOM 1427 C GLY A 99 3.396 13.281 5.469 1.00 23.14 C ATOM 1428 O GLY A 99 4.576 12.955 5.292 1.00 34.54 O ATOM 0 H GLY A 99 2.261 16.077 4.775 1.00 32.54 H new ATOM 0 HA2 GLY A 99 3.948 15.271 6.017 1.00 31.31 H new ATOM 0 HA3 GLY A 99 2.808 14.514 7.112 1.00 31.31 H new ATOM 1432 N GLN A 100 2.383 12.490 5.150 1.00 73.34 N ATOM 1433 CA GLN A 100 2.602 11.150 4.647 1.00 42.31 C ATOM 1434 C GLN A 100 1.372 10.637 3.916 1.00 71.54 C ATOM 1435 O GLN A 100 0.385 11.357 3.740 1.00 15.45 O ATOM 1436 CB GLN A 100 2.951 10.191 5.793 1.00 42.54 C ATOM 1437 CG GLN A 100 1.838 10.020 6.815 1.00 55.11 C ATOM 1438 CD GLN A 100 2.120 8.911 7.806 1.00 74.41 C ATOM 1439 OE1 GLN A 100 3.273 8.626 8.130 1.00 53.42 O ATOM 1440 NE2 GLN A 100 1.073 8.280 8.289 1.00 23.21 N ATOM 0 H GLN A 100 1.402 12.757 5.232 1.00 73.34 H new ATOM 0 HA GLN A 100 3.437 11.192 3.948 1.00 42.31 H new ATOM 0 HB2 GLN A 100 3.199 9.216 5.374 1.00 42.54 H new ATOM 0 HB3 GLN A 100 3.844 10.557 6.300 1.00 42.54 H new ATOM 0 HG2 GLN A 100 1.699 10.957 7.354 1.00 55.11 H new ATOM 0 HG3 GLN A 100 0.903 9.809 6.296 1.00 55.11 H new ATOM 0 HE21 GLN A 100 0.134 8.549 7.993 1.00 23.21 H new ATOM 0 HE22 GLN A 100 1.199 7.522 8.960 1.00 23.21 H new ATOM 1449 N VAL A 101 1.442 9.383 3.520 1.00 14.11 N ATOM 1450 CA VAL A 101 0.336 8.672 2.910 1.00 72.45 C ATOM 1451 C VAL A 101 0.313 7.269 3.485 1.00 32.33 C ATOM 1452 O VAL A 101 1.353 6.615 3.577 1.00 22.31 O ATOM 1453 CB VAL A 101 0.432 8.609 1.355 1.00 71.34 C ATOM 1454 CG1 VAL A 101 -0.667 7.721 0.781 1.00 14.31 C ATOM 1455 CG2 VAL A 101 0.328 9.999 0.756 1.00 61.23 C ATOM 0 H VAL A 101 2.286 8.818 3.615 1.00 14.11 H new ATOM 0 HA VAL A 101 -0.584 9.212 3.134 1.00 72.45 H new ATOM 0 HB VAL A 101 1.401 8.182 1.097 1.00 71.34 H new ATOM 0 HG11 VAL A 101 -0.581 7.692 -0.305 1.00 14.31 H new ATOM 0 HG12 VAL A 101 -0.565 6.712 1.181 1.00 14.31 H new ATOM 0 HG13 VAL A 101 -1.642 8.124 1.057 1.00 14.31 H new ATOM 0 HG21 VAL A 101 0.397 9.933 -0.330 1.00 61.23 H new ATOM 0 HG22 VAL A 101 -0.628 10.444 1.032 1.00 61.23 H new ATOM 0 HG23 VAL A 101 1.140 10.620 1.134 1.00 61.23 H new ATOM 1465 N HIS A 102 -0.848 6.818 3.896 1.00 24.32 N ATOM 1466 CA HIS A 102 -0.966 5.512 4.512 1.00 22.35 C ATOM 1467 C HIS A 102 -1.433 4.496 3.481 1.00 1.42 C ATOM 1468 O HIS A 102 -2.617 4.446 3.149 1.00 64.03 O ATOM 1469 CB HIS A 102 -1.960 5.593 5.681 1.00 60.11 C ATOM 1470 CG HIS A 102 -2.030 4.368 6.549 1.00 22.04 C ATOM 1471 ND1 HIS A 102 -1.420 4.286 7.781 1.00 12.03 N ATOM 1472 CD2 HIS A 102 -2.666 3.188 6.372 1.00 34.14 C ATOM 1473 CE1 HIS A 102 -1.676 3.111 8.320 1.00 42.41 C ATOM 1474 NE2 HIS A 102 -2.429 2.429 7.487 1.00 71.53 N ATOM 0 H HIS A 102 -1.725 7.333 3.817 1.00 24.32 H new ATOM 0 HA HIS A 102 0.004 5.194 4.893 1.00 22.35 H new ATOM 0 HB2 HIS A 102 -1.693 6.446 6.305 1.00 60.11 H new ATOM 0 HB3 HIS A 102 -2.954 5.791 5.279 1.00 60.11 H new ATOM 0 HD2 HIS A 102 -3.252 2.898 5.512 1.00 34.14 H new ATOM 0 HE1 HIS A 102 -1.326 2.767 9.282 1.00 42.41 H new ATOM 0 HE2 HIS A 102 -2.781 1.485 7.645 1.00 71.53 H new ATOM 1483 N ILE A 103 -0.507 3.698 2.969 1.00 23.50 N ATOM 1484 CA ILE A 103 -0.843 2.691 1.975 1.00 22.44 C ATOM 1485 C ILE A 103 -0.971 1.316 2.610 1.00 4.42 C ATOM 1486 O ILE A 103 -0.010 0.785 3.175 1.00 74.30 O ATOM 1487 CB ILE A 103 0.209 2.615 0.824 1.00 32.53 C ATOM 1488 CG1 ILE A 103 0.368 3.968 0.123 1.00 22.41 C ATOM 1489 CG2 ILE A 103 -0.173 1.542 -0.187 1.00 4.45 C ATOM 1490 CD1 ILE A 103 1.444 4.848 0.727 1.00 20.00 C ATOM 0 H ILE A 103 0.480 3.729 3.225 1.00 23.50 H new ATOM 0 HA ILE A 103 -1.800 2.995 1.551 1.00 22.44 H new ATOM 0 HB ILE A 103 1.167 2.350 1.272 1.00 32.53 H new ATOM 0 HG12 ILE A 103 0.600 3.797 -0.928 1.00 22.41 H new ATOM 0 HG13 ILE A 103 -0.584 4.498 0.157 1.00 22.41 H new ATOM 0 HG21 ILE A 103 0.574 1.507 -0.980 1.00 4.45 H new ATOM 0 HG22 ILE A 103 -0.220 0.573 0.311 1.00 4.45 H new ATOM 0 HG23 ILE A 103 -1.147 1.777 -0.616 1.00 4.45 H new ATOM 0 HD11 ILE A 103 1.497 5.788 0.177 1.00 20.00 H new ATOM 0 HD12 ILE A 103 1.204 5.051 1.771 1.00 20.00 H new ATOM 0 HD13 ILE A 103 2.406 4.339 0.668 1.00 20.00 H new ATOM 1502 N SER A 104 -2.160 0.766 2.554 1.00 51.21 N ATOM 1503 CA SER A 104 -2.401 -0.569 3.047 1.00 44.14 C ATOM 1504 C SER A 104 -2.921 -1.460 1.928 1.00 32.41 C ATOM 1505 O SER A 104 -4.128 -1.568 1.711 1.00 33.00 O ATOM 1506 CB SER A 104 -3.378 -0.540 4.218 1.00 53.43 C ATOM 1507 OG SER A 104 -2.865 0.249 5.280 1.00 14.44 O ATOM 0 H SER A 104 -2.983 1.228 2.168 1.00 51.21 H new ATOM 0 HA SER A 104 -1.458 -0.984 3.404 1.00 44.14 H new ATOM 0 HB2 SER A 104 -4.336 -0.137 3.889 1.00 53.43 H new ATOM 0 HB3 SER A 104 -3.563 -1.555 4.569 1.00 53.43 H new ATOM 0 HG SER A 104 -3.506 0.257 6.021 1.00 14.44 H new ATOM 1513 N LEU A 105 -2.002 -2.037 1.180 1.00 50.31 N ATOM 1514 CA LEU A 105 -2.348 -2.929 0.094 1.00 43.53 C ATOM 1515 C LEU A 105 -2.451 -4.363 0.589 1.00 20.34 C ATOM 1516 O LEU A 105 -1.469 -4.957 0.982 1.00 2.14 O ATOM 1517 CB LEU A 105 -1.273 -2.833 -1.000 1.00 51.32 C ATOM 1518 CG LEU A 105 -1.466 -3.730 -2.225 1.00 52.03 C ATOM 1519 CD1 LEU A 105 -2.672 -3.288 -3.027 1.00 12.14 C ATOM 1520 CD2 LEU A 105 -0.214 -3.725 -3.091 1.00 51.42 C ATOM 0 H LEU A 105 -0.999 -1.901 1.308 1.00 50.31 H new ATOM 0 HA LEU A 105 -3.316 -2.635 -0.311 1.00 43.53 H new ATOM 0 HB2 LEU A 105 -1.222 -1.798 -1.339 1.00 51.32 H new ATOM 0 HB3 LEU A 105 -0.308 -3.070 -0.552 1.00 51.32 H new ATOM 0 HG LEU A 105 -1.642 -4.749 -1.880 1.00 52.03 H new ATOM 0 HD11 LEU A 105 -2.791 -3.939 -3.893 1.00 12.14 H new ATOM 0 HD12 LEU A 105 -3.564 -3.346 -2.404 1.00 12.14 H new ATOM 0 HD13 LEU A 105 -2.530 -2.261 -3.362 1.00 12.14 H new ATOM 0 HD21 LEU A 105 -0.368 -4.368 -3.958 1.00 51.42 H new ATOM 0 HD22 LEU A 105 -0.007 -2.708 -3.426 1.00 51.42 H new ATOM 0 HD23 LEU A 105 0.631 -4.095 -2.511 1.00 51.42 H new ATOM 1532 N LYS A 106 -3.647 -4.904 0.554 1.00 4.34 N ATOM 1533 CA LYS A 106 -3.878 -6.276 0.972 1.00 44.50 C ATOM 1534 C LYS A 106 -3.866 -7.173 -0.246 1.00 14.51 C ATOM 1535 O LYS A 106 -4.145 -6.715 -1.346 1.00 31.34 O ATOM 1536 CB LYS A 106 -5.194 -6.410 1.736 1.00 45.51 C ATOM 1537 CG LYS A 106 -5.206 -5.658 3.056 1.00 73.53 C ATOM 1538 CD LYS A 106 -6.429 -6.004 3.882 1.00 21.40 C ATOM 1539 CE LYS A 106 -6.413 -5.281 5.216 1.00 62.50 C ATOM 1540 NZ LYS A 106 -7.548 -5.681 6.081 1.00 12.34 N ATOM 0 H LYS A 106 -4.484 -4.414 0.238 1.00 4.34 H new ATOM 0 HA LYS A 106 -3.081 -6.578 1.652 1.00 44.50 H new ATOM 0 HB2 LYS A 106 -6.008 -6.043 1.110 1.00 45.51 H new ATOM 0 HB3 LYS A 106 -5.389 -7.465 1.926 1.00 45.51 H new ATOM 0 HG2 LYS A 106 -4.305 -5.898 3.620 1.00 73.53 H new ATOM 0 HG3 LYS A 106 -5.187 -4.585 2.865 1.00 73.53 H new ATOM 0 HD2 LYS A 106 -7.331 -5.736 3.331 1.00 21.40 H new ATOM 0 HD3 LYS A 106 -6.465 -7.080 4.049 1.00 21.40 H new ATOM 0 HE2 LYS A 106 -5.475 -5.490 5.730 1.00 62.50 H new ATOM 0 HE3 LYS A 106 -6.450 -4.205 5.045 1.00 62.50 H new ATOM 0 HZ1 LYS A 106 -7.498 -5.163 6.981 1.00 12.34 H new ATOM 0 HZ2 LYS A 106 -8.444 -5.458 5.603 1.00 12.34 H new ATOM 0 HZ3 LYS A 106 -7.500 -6.703 6.267 1.00 12.34 H new ATOM 1554 N LEU A 107 -3.559 -8.440 -0.067 1.00 21.15 N ATOM 1555 CA LEU A 107 -3.391 -9.320 -1.205 1.00 24.42 C ATOM 1556 C LEU A 107 -4.091 -10.649 -0.981 1.00 54.14 C ATOM 1557 O LEU A 107 -3.577 -11.517 -0.274 1.00 24.45 O ATOM 1558 CB LEU A 107 -1.904 -9.542 -1.510 1.00 44.31 C ATOM 1559 CG LEU A 107 -1.593 -10.428 -2.726 1.00 5.12 C ATOM 1560 CD1 LEU A 107 -2.147 -9.812 -4.003 1.00 21.32 C ATOM 1561 CD2 LEU A 107 -0.095 -10.658 -2.850 1.00 65.32 C ATOM 0 H LEU A 107 -3.422 -8.880 0.843 1.00 21.15 H new ATOM 0 HA LEU A 107 -3.851 -8.836 -2.067 1.00 24.42 H new ATOM 0 HB2 LEU A 107 -1.436 -8.570 -1.664 1.00 44.31 H new ATOM 0 HB3 LEU A 107 -1.435 -9.986 -0.632 1.00 44.31 H new ATOM 0 HG LEU A 107 -2.079 -11.392 -2.576 1.00 5.12 H new ATOM 0 HD11 LEU A 107 -1.914 -10.458 -4.849 1.00 21.32 H new ATOM 0 HD12 LEU A 107 -3.228 -9.704 -3.916 1.00 21.32 H new ATOM 0 HD13 LEU A 107 -1.696 -8.832 -4.160 1.00 21.32 H new ATOM 0 HD21 LEU A 107 0.106 -11.288 -3.717 1.00 65.32 H new ATOM 0 HD22 LEU A 107 0.411 -9.700 -2.972 1.00 65.32 H new ATOM 0 HD23 LEU A 107 0.273 -11.151 -1.950 1.00 65.32 H new ATOM 1573 N ASP A 108 -5.255 -10.810 -1.573 1.00 41.40 N ATOM 1574 CA ASP A 108 -5.987 -12.062 -1.486 1.00 23.23 C ATOM 1575 C ASP A 108 -5.690 -12.853 -2.731 1.00 42.45 C ATOM 1576 O ASP A 108 -5.961 -12.378 -3.810 1.00 3.21 O ATOM 1577 CB ASP A 108 -7.491 -11.803 -1.380 1.00 74.35 C ATOM 1578 CG ASP A 108 -8.304 -13.079 -1.424 1.00 12.15 C ATOM 1579 OD1 ASP A 108 -8.557 -13.663 -0.353 1.00 65.11 O ATOM 1580 OD2 ASP A 108 -8.702 -13.500 -2.528 1.00 33.41 O ATOM 0 H ASP A 108 -5.719 -10.087 -2.123 1.00 41.40 H new ATOM 0 HA ASP A 108 -5.680 -12.612 -0.596 1.00 23.23 H new ATOM 0 HB2 ASP A 108 -7.701 -11.274 -0.450 1.00 74.35 H new ATOM 0 HB3 ASP A 108 -7.802 -11.150 -2.195 1.00 74.35 H new ATOM 1585 N ASP A 109 -5.189 -14.074 -2.571 1.00 74.11 N ATOM 1586 CA ASP A 109 -4.708 -14.907 -3.702 1.00 64.13 C ATOM 1587 C ASP A 109 -3.834 -14.109 -4.702 1.00 32.32 C ATOM 1588 O ASP A 109 -2.603 -14.145 -4.627 1.00 54.12 O ATOM 1589 CB ASP A 109 -5.872 -15.589 -4.429 1.00 24.54 C ATOM 1590 CG ASP A 109 -5.389 -16.631 -5.416 1.00 54.31 C ATOM 1591 OD1 ASP A 109 -4.975 -17.721 -4.973 1.00 0.22 O ATOM 1592 OD2 ASP A 109 -5.417 -16.369 -6.636 1.00 34.24 O ATOM 0 H ASP A 109 -5.099 -14.526 -1.661 1.00 74.11 H new ATOM 0 HA ASP A 109 -4.073 -15.678 -3.265 1.00 64.13 H new ATOM 0 HB2 ASP A 109 -6.531 -16.059 -3.699 1.00 24.54 H new ATOM 0 HB3 ASP A 109 -6.462 -14.838 -4.954 1.00 24.54 H new ATOM 1597 N ASN A 110 -4.483 -13.385 -5.620 1.00 64.10 N ATOM 1598 CA ASN A 110 -3.787 -12.561 -6.607 1.00 72.22 C ATOM 1599 C ASN A 110 -4.575 -11.269 -6.867 1.00 61.54 C ATOM 1600 O ASN A 110 -4.313 -10.549 -7.826 1.00 11.41 O ATOM 1601 CB ASN A 110 -3.591 -13.334 -7.925 1.00 1.04 C ATOM 1602 CG ASN A 110 -4.864 -13.458 -8.751 1.00 22.21 C ATOM 1603 OD1 ASN A 110 -5.135 -12.637 -9.625 1.00 50.23 O ATOM 1604 ND2 ASN A 110 -5.647 -14.478 -8.483 1.00 4.11 N ATOM 0 H ASN A 110 -5.500 -13.355 -5.698 1.00 64.10 H new ATOM 0 HA ASN A 110 -2.805 -12.306 -6.209 1.00 72.22 H new ATOM 0 HB2 ASN A 110 -2.828 -12.833 -8.521 1.00 1.04 H new ATOM 0 HB3 ASN A 110 -3.215 -14.332 -7.699 1.00 1.04 H new ATOM 0 HD21 ASN A 110 -6.512 -14.608 -9.007 1.00 4.11 H new ATOM 0 HD22 ASN A 110 -5.390 -15.140 -7.750 1.00 4.11 H new ATOM 1611 N GLN A 111 -5.496 -10.960 -5.964 1.00 32.11 N ATOM 1612 CA GLN A 111 -6.326 -9.770 -6.075 1.00 24.51 C ATOM 1613 C GLN A 111 -6.011 -8.850 -4.904 1.00 35.23 C ATOM 1614 O GLN A 111 -6.162 -9.229 -3.737 1.00 50.12 O ATOM 1615 CB GLN A 111 -7.833 -10.127 -6.124 1.00 2.44 C ATOM 1616 CG GLN A 111 -8.385 -10.765 -4.854 1.00 30.04 C ATOM 1617 CD GLN A 111 -9.862 -11.092 -4.949 1.00 54.30 C ATOM 1618 OE1 GLN A 111 -10.615 -10.432 -5.671 1.00 0.42 O ATOM 1619 NE2 GLN A 111 -10.291 -12.097 -4.214 1.00 44.41 N ATOM 0 H GLN A 111 -5.688 -11.526 -5.137 1.00 32.11 H new ATOM 0 HA GLN A 111 -6.101 -9.259 -7.011 1.00 24.51 H new ATOM 0 HB2 GLN A 111 -8.399 -9.219 -6.333 1.00 2.44 H new ATOM 0 HB3 GLN A 111 -8.003 -10.808 -6.958 1.00 2.44 H new ATOM 0 HG2 GLN A 111 -7.829 -11.678 -4.642 1.00 30.04 H new ATOM 0 HG3 GLN A 111 -8.221 -10.090 -4.014 1.00 30.04 H new ATOM 0 HE21 GLN A 111 -9.636 -12.618 -3.630 1.00 44.41 H new ATOM 0 HE22 GLN A 111 -11.278 -12.355 -4.228 1.00 44.41 H new ATOM 1628 N ALA A 112 -5.543 -7.667 -5.199 1.00 10.30 N ATOM 1629 CA ALA A 112 -5.097 -6.774 -4.157 1.00 74.21 C ATOM 1630 C ALA A 112 -6.053 -5.616 -3.887 1.00 65.34 C ATOM 1631 O ALA A 112 -6.535 -4.956 -4.807 1.00 32.25 O ATOM 1632 CB ALA A 112 -3.715 -6.259 -4.488 1.00 41.20 C ATOM 0 H ALA A 112 -5.460 -7.298 -6.146 1.00 10.30 H new ATOM 0 HA ALA A 112 -5.071 -7.354 -3.235 1.00 74.21 H new ATOM 0 HB1 ALA A 112 -3.380 -5.585 -3.700 1.00 41.20 H new ATOM 0 HB2 ALA A 112 -3.023 -7.098 -4.567 1.00 41.20 H new ATOM 0 HB3 ALA A 112 -3.744 -5.723 -5.436 1.00 41.20 H new ATOM 1638 N GLN A 113 -6.318 -5.397 -2.606 1.00 5.40 N ATOM 1639 CA GLN A 113 -7.120 -4.275 -2.138 1.00 23.24 C ATOM 1640 C GLN A 113 -6.195 -3.146 -1.734 1.00 42.34 C ATOM 1641 O GLN A 113 -5.492 -3.235 -0.725 1.00 63.14 O ATOM 1642 CB GLN A 113 -7.995 -4.705 -0.944 1.00 14.21 C ATOM 1643 CG GLN A 113 -8.690 -3.557 -0.201 1.00 44.23 C ATOM 1644 CD GLN A 113 -9.706 -2.804 -1.047 1.00 13.42 C ATOM 1645 OE1 GLN A 113 -9.380 -1.813 -1.700 1.00 55.41 O ATOM 1646 NE2 GLN A 113 -10.942 -3.265 -1.034 1.00 42.11 N ATOM 0 H GLN A 113 -5.979 -5.999 -1.856 1.00 5.40 H new ATOM 0 HA GLN A 113 -7.779 -3.938 -2.938 1.00 23.24 H new ATOM 0 HB2 GLN A 113 -8.756 -5.399 -1.302 1.00 14.21 H new ATOM 0 HB3 GLN A 113 -7.373 -5.252 -0.236 1.00 14.21 H new ATOM 0 HG2 GLN A 113 -9.191 -3.958 0.680 1.00 44.23 H new ATOM 0 HG3 GLN A 113 -7.934 -2.855 0.153 1.00 44.23 H new ATOM 0 HE21 GLN A 113 -11.173 -4.090 -0.480 1.00 42.11 H new ATOM 0 HE22 GLN A 113 -11.667 -2.797 -1.578 1.00 42.11 H new ATOM 1655 N LEU A 114 -6.178 -2.102 -2.528 1.00 14.23 N ATOM 1656 CA LEU A 114 -5.310 -0.978 -2.280 1.00 63.03 C ATOM 1657 C LEU A 114 -6.050 0.122 -1.540 1.00 45.13 C ATOM 1658 O LEU A 114 -6.867 0.834 -2.123 1.00 3.42 O ATOM 1659 CB LEU A 114 -4.763 -0.452 -3.614 1.00 11.33 C ATOM 1660 CG LEU A 114 -3.844 0.770 -3.545 1.00 53.00 C ATOM 1661 CD1 LEU A 114 -2.626 0.489 -2.679 1.00 43.15 C ATOM 1662 CD2 LEU A 114 -3.415 1.178 -4.945 1.00 12.14 C ATOM 0 H LEU A 114 -6.762 -2.009 -3.359 1.00 14.23 H new ATOM 0 HA LEU A 114 -4.480 -1.304 -1.653 1.00 63.03 H new ATOM 0 HB2 LEU A 114 -4.218 -1.261 -4.101 1.00 11.33 H new ATOM 0 HB3 LEU A 114 -5.609 -0.206 -4.256 1.00 11.33 H new ATOM 0 HG LEU A 114 -4.398 1.591 -3.090 1.00 53.00 H new ATOM 0 HD11 LEU A 114 -1.990 1.374 -2.647 1.00 43.15 H new ATOM 0 HD12 LEU A 114 -2.948 0.237 -1.669 1.00 43.15 H new ATOM 0 HD13 LEU A 114 -2.065 -0.346 -3.100 1.00 43.15 H new ATOM 0 HD21 LEU A 114 -2.761 2.048 -4.886 1.00 12.14 H new ATOM 0 HD22 LEU A 114 -2.880 0.354 -5.416 1.00 12.14 H new ATOM 0 HD23 LEU A 114 -4.296 1.425 -5.538 1.00 12.14 H new ATOM 1674 N GLN A 115 -5.770 0.254 -0.259 1.00 54.04 N ATOM 1675 CA GLN A 115 -6.380 1.298 0.532 1.00 65.02 C ATOM 1676 C GLN A 115 -5.382 2.395 0.839 1.00 43.11 C ATOM 1677 O GLN A 115 -4.206 2.125 1.103 1.00 51.11 O ATOM 1678 CB GLN A 115 -6.979 0.749 1.827 1.00 52.25 C ATOM 1679 CG GLN A 115 -8.099 -0.248 1.607 1.00 60.35 C ATOM 1680 CD GLN A 115 -9.018 -0.360 2.805 1.00 42.45 C ATOM 1681 OE1 GLN A 115 -10.006 0.371 2.912 1.00 22.03 O ATOM 1682 NE2 GLN A 115 -8.705 -1.259 3.712 1.00 64.24 N ATOM 0 H GLN A 115 -5.125 -0.348 0.253 1.00 54.04 H new ATOM 0 HA GLN A 115 -7.193 1.719 -0.060 1.00 65.02 H new ATOM 0 HB2 GLN A 115 -6.190 0.272 2.408 1.00 52.25 H new ATOM 0 HB3 GLN A 115 -7.356 1.580 2.423 1.00 52.25 H new ATOM 0 HG2 GLN A 115 -8.680 0.050 0.734 1.00 60.35 H new ATOM 0 HG3 GLN A 115 -7.672 -1.227 1.388 1.00 60.35 H new ATOM 0 HE21 GLN A 115 -7.879 -1.844 3.586 1.00 64.24 H new ATOM 0 HE22 GLN A 115 -9.288 -1.371 4.541 1.00 64.24 H new ATOM 1691 N MET A 116 -5.849 3.623 0.796 1.00 45.10 N ATOM 1692 CA MET A 116 -5.022 4.777 1.087 1.00 74.12 C ATOM 1693 C MET A 116 -5.741 5.681 2.065 1.00 61.31 C ATOM 1694 O MET A 116 -6.875 6.100 1.811 1.00 52.35 O ATOM 1695 CB MET A 116 -4.714 5.565 -0.190 1.00 11.25 C ATOM 1696 CG MET A 116 -3.953 4.787 -1.250 1.00 22.24 C ATOM 1697 SD MET A 116 -3.748 5.737 -2.766 1.00 54.11 S ATOM 1698 CE MET A 116 -2.997 4.517 -3.828 1.00 10.22 C ATOM 0 H MET A 116 -6.814 3.852 0.558 1.00 45.10 H new ATOM 0 HA MET A 116 -4.084 4.427 1.518 1.00 74.12 H new ATOM 0 HB2 MET A 116 -5.653 5.915 -0.620 1.00 11.25 H new ATOM 0 HB3 MET A 116 -4.136 6.450 0.076 1.00 11.25 H new ATOM 0 HG2 MET A 116 -2.973 4.508 -0.862 1.00 22.24 H new ATOM 0 HG3 MET A 116 -4.484 3.861 -1.471 1.00 22.24 H new ATOM 0 HE1 MET A 116 -2.921 4.913 -4.841 1.00 10.22 H new ATOM 0 HE2 MET A 116 -2.001 4.276 -3.457 1.00 10.22 H new ATOM 0 HE3 MET A 116 -3.609 3.615 -3.836 1.00 10.22 H new ATOM 1708 N VAL A 117 -5.108 5.963 3.184 1.00 40.42 N ATOM 1709 CA VAL A 117 -5.690 6.859 4.161 1.00 2.01 C ATOM 1710 C VAL A 117 -5.013 8.217 4.081 1.00 52.42 C ATOM 1711 O VAL A 117 -3.845 8.373 4.461 1.00 61.41 O ATOM 1712 CB VAL A 117 -5.602 6.306 5.605 1.00 44.40 C ATOM 1713 CG1 VAL A 117 -6.344 7.217 6.574 1.00 54.41 C ATOM 1714 CG2 VAL A 117 -6.156 4.888 5.671 1.00 55.15 C ATOM 0 H VAL A 117 -4.195 5.587 3.439 1.00 40.42 H new ATOM 0 HA VAL A 117 -6.749 6.955 3.921 1.00 2.01 H new ATOM 0 HB VAL A 117 -4.552 6.277 5.897 1.00 44.40 H new ATOM 0 HG11 VAL A 117 -6.271 6.812 7.583 1.00 54.41 H new ATOM 0 HG12 VAL A 117 -5.900 8.212 6.550 1.00 54.41 H new ATOM 0 HG13 VAL A 117 -7.393 7.280 6.284 1.00 54.41 H new ATOM 0 HG21 VAL A 117 -6.085 4.517 6.693 1.00 55.15 H new ATOM 0 HG22 VAL A 117 -7.200 4.890 5.357 1.00 55.15 H new ATOM 0 HG23 VAL A 117 -5.580 4.241 5.010 1.00 55.15 H new ATOM 1724 N SER A 118 -5.742 9.173 3.557 1.00 43.21 N ATOM 1725 CA SER A 118 -5.255 10.519 3.370 1.00 24.24 C ATOM 1726 C SER A 118 -6.427 11.466 3.128 1.00 61.04 C ATOM 1727 O SER A 118 -7.414 11.075 2.496 1.00 61.33 O ATOM 1728 CB SER A 118 -4.274 10.564 2.188 1.00 1.33 C ATOM 1729 OG SER A 118 -4.825 9.929 1.047 1.00 74.21 O ATOM 0 H SER A 118 -6.703 9.036 3.244 1.00 43.21 H new ATOM 0 HA SER A 118 -4.729 10.838 4.270 1.00 24.24 H new ATOM 0 HB2 SER A 118 -4.032 11.600 1.951 1.00 1.33 H new ATOM 0 HB3 SER A 118 -3.341 10.074 2.466 1.00 1.33 H new ATOM 0 HG SER A 118 -4.184 9.972 0.307 1.00 74.21 H new ATOM 1735 N PRO A 119 -6.354 12.707 3.651 1.00 32.13 N ATOM 1736 CA PRO A 119 -7.395 13.722 3.435 1.00 35.31 C ATOM 1737 C PRO A 119 -7.722 13.884 1.951 1.00 45.25 C ATOM 1738 O PRO A 119 -6.846 13.742 1.095 1.00 73.44 O ATOM 1739 CB PRO A 119 -6.756 14.998 3.982 1.00 45.20 C ATOM 1740 CG PRO A 119 -5.806 14.516 5.019 1.00 54.15 C ATOM 1741 CD PRO A 119 -5.263 13.212 4.504 1.00 63.45 C ATOM 0 HA PRO A 119 -8.338 13.463 3.917 1.00 35.31 H new ATOM 0 HB2 PRO A 119 -6.241 15.553 3.198 1.00 45.20 H new ATOM 0 HB3 PRO A 119 -7.504 15.667 4.408 1.00 45.20 H new ATOM 0 HG2 PRO A 119 -5.004 15.237 5.180 1.00 54.15 H new ATOM 0 HG3 PRO A 119 -6.309 14.379 5.976 1.00 54.15 H new ATOM 0 HD2 PRO A 119 -4.342 13.354 3.938 1.00 63.45 H new ATOM 0 HD3 PRO A 119 -5.034 12.522 5.316 1.00 63.45 H new ATOM 1749 N HIS A 120 -8.967 14.201 1.644 1.00 11.40 N ATOM 1750 CA HIS A 120 -9.377 14.296 0.256 1.00 45.13 C ATOM 1751 C HIS A 120 -9.213 15.712 -0.277 1.00 55.43 C ATOM 1752 O HIS A 120 -9.531 16.693 0.400 1.00 20.10 O ATOM 1753 CB HIS A 120 -10.821 13.784 0.045 1.00 63.13 C ATOM 1754 CG HIS A 120 -11.884 14.563 0.765 1.00 41.23 C ATOM 1755 ND1 HIS A 120 -12.541 15.635 0.205 1.00 14.52 N ATOM 1756 CD2 HIS A 120 -12.412 14.407 2.000 1.00 31.14 C ATOM 1757 CE1 HIS A 120 -13.421 16.106 1.061 1.00 35.15 C ATOM 1758 NE2 HIS A 120 -13.363 15.378 2.160 1.00 5.40 N ATOM 0 H HIS A 120 -9.701 14.394 2.325 1.00 11.40 H new ATOM 0 HA HIS A 120 -8.716 13.646 -0.317 1.00 45.13 H new ATOM 0 HB2 HIS A 120 -11.042 13.797 -1.022 1.00 63.13 H new ATOM 0 HB3 HIS A 120 -10.872 12.744 0.368 1.00 63.13 H new ATOM 0 HD2 HIS A 120 -12.135 13.656 2.725 1.00 31.14 H new ATOM 0 HE1 HIS A 120 -14.079 16.946 0.893 1.00 35.15 H new ATOM 0 HE2 HIS A 120 -13.934 15.517 2.994 1.00 5.40 H new ATOM 1767 N SER A 121 -8.713 15.792 -1.486 1.00 14.31 N ATOM 1768 CA SER A 121 -8.453 17.042 -2.164 1.00 52.03 C ATOM 1769 C SER A 121 -8.400 16.752 -3.658 1.00 43.11 C ATOM 1770 O SER A 121 -8.550 15.594 -4.056 1.00 2.20 O ATOM 1771 CB SER A 121 -7.112 17.624 -1.670 1.00 2.51 C ATOM 1772 OG SER A 121 -6.813 18.867 -2.282 1.00 52.30 O ATOM 0 H SER A 121 -8.469 14.971 -2.040 1.00 14.31 H new ATOM 0 HA SER A 121 -9.234 17.773 -1.957 1.00 52.03 H new ATOM 0 HB2 SER A 121 -7.150 17.753 -0.588 1.00 2.51 H new ATOM 0 HB3 SER A 121 -6.311 16.915 -1.879 1.00 2.51 H new ATOM 0 HG SER A 121 -5.958 19.202 -1.941 1.00 52.30 H new ATOM 1778 N HIS A 122 -8.169 17.772 -4.489 1.00 43.22 N ATOM 1779 CA HIS A 122 -8.089 17.565 -5.943 1.00 52.31 C ATOM 1780 C HIS A 122 -6.910 16.647 -6.282 1.00 5.43 C ATOM 1781 O HIS A 122 -6.826 16.099 -7.375 1.00 14.11 O ATOM 1782 CB HIS A 122 -7.981 18.902 -6.715 1.00 52.43 C ATOM 1783 CG HIS A 122 -6.603 19.508 -6.744 1.00 75.24 C ATOM 1784 ND1 HIS A 122 -5.696 19.248 -7.748 1.00 52.21 N ATOM 1785 CD2 HIS A 122 -5.985 20.365 -5.897 1.00 34.32 C ATOM 1786 CE1 HIS A 122 -4.585 19.911 -7.519 1.00 74.24 C ATOM 1787 NE2 HIS A 122 -4.729 20.601 -6.402 1.00 43.31 N ATOM 0 H HIS A 122 -8.035 18.738 -4.189 1.00 43.22 H new ATOM 0 HA HIS A 122 -9.016 17.086 -6.260 1.00 52.31 H new ATOM 0 HB2 HIS A 122 -8.313 18.740 -7.741 1.00 52.43 H new ATOM 0 HB3 HIS A 122 -8.668 19.620 -6.267 1.00 52.43 H new ATOM 0 HD2 HIS A 122 -6.402 20.785 -4.993 1.00 34.32 H new ATOM 0 HE1 HIS A 122 -3.702 19.895 -8.140 1.00 74.24 H new ATOM 0 HE2 HIS A 122 -4.025 21.208 -5.984 1.00 43.31 H new ATOM 1796 N VAL A 123 -6.000 16.507 -5.319 1.00 10.23 N ATOM 1797 CA VAL A 123 -4.848 15.618 -5.441 1.00 51.52 C ATOM 1798 C VAL A 123 -5.322 14.173 -5.641 1.00 24.13 C ATOM 1799 O VAL A 123 -4.607 13.339 -6.195 1.00 14.34 O ATOM 1800 CB VAL A 123 -3.952 15.697 -4.177 1.00 32.12 C ATOM 1801 CG1 VAL A 123 -2.656 14.919 -4.370 1.00 4.31 C ATOM 1802 CG2 VAL A 123 -3.660 17.147 -3.821 1.00 2.41 C ATOM 0 H VAL A 123 -6.042 17.008 -4.431 1.00 10.23 H new ATOM 0 HA VAL A 123 -4.263 15.935 -6.304 1.00 51.52 H new ATOM 0 HB VAL A 123 -4.495 15.239 -3.350 1.00 32.12 H new ATOM 0 HG11 VAL A 123 -2.049 14.993 -3.467 1.00 4.31 H new ATOM 0 HG12 VAL A 123 -2.886 13.872 -4.568 1.00 4.31 H new ATOM 0 HG13 VAL A 123 -2.104 15.335 -5.213 1.00 4.31 H new ATOM 0 HG21 VAL A 123 -3.030 17.184 -2.932 1.00 2.41 H new ATOM 0 HG22 VAL A 123 -3.144 17.629 -4.651 1.00 2.41 H new ATOM 0 HG23 VAL A 123 -4.596 17.669 -3.624 1.00 2.41 H new ATOM 1812 N ARG A 124 -6.554 13.902 -5.201 1.00 41.03 N ATOM 1813 CA ARG A 124 -7.162 12.583 -5.356 1.00 50.33 C ATOM 1814 C ARG A 124 -7.204 12.193 -6.830 1.00 71.22 C ATOM 1815 O ARG A 124 -7.055 11.028 -7.174 1.00 55.22 O ATOM 1816 CB ARG A 124 -8.581 12.565 -4.767 1.00 41.21 C ATOM 1817 CG ARG A 124 -9.260 11.203 -4.834 1.00 3.55 C ATOM 1818 CD ARG A 124 -10.682 11.256 -4.297 1.00 22.43 C ATOM 1819 NE ARG A 124 -11.555 12.095 -5.124 1.00 34.42 N ATOM 1820 CZ ARG A 124 -12.646 12.724 -4.671 1.00 60.24 C ATOM 1821 NH1 ARG A 124 -13.000 12.614 -3.395 1.00 72.24 N ATOM 1822 NH2 ARG A 124 -13.381 13.461 -5.494 1.00 5.03 N ATOM 0 H ARG A 124 -7.150 14.584 -4.733 1.00 41.03 H new ATOM 0 HA ARG A 124 -6.553 11.860 -4.813 1.00 50.33 H new ATOM 0 HB2 ARG A 124 -8.536 12.887 -3.727 1.00 41.21 H new ATOM 0 HB3 ARG A 124 -9.194 13.292 -5.299 1.00 41.21 H new ATOM 0 HG2 ARG A 124 -9.274 10.854 -5.866 1.00 3.55 H new ATOM 0 HG3 ARG A 124 -8.681 10.479 -4.260 1.00 3.55 H new ATOM 0 HD2 ARG A 124 -11.089 10.246 -4.251 1.00 22.43 H new ATOM 0 HD3 ARG A 124 -10.670 11.642 -3.278 1.00 22.43 H new ATOM 0 HE ARG A 124 -11.315 12.207 -6.109 1.00 34.42 H new ATOM 0 HH11 ARG A 124 -12.440 12.049 -2.757 1.00 72.24 H new ATOM 0 HH12 ARG A 124 -13.832 13.095 -3.053 1.00 72.24 H new ATOM 0 HH21 ARG A 124 -13.115 13.549 -6.475 1.00 5.03 H new ATOM 0 HH22 ARG A 124 -14.212 13.939 -5.146 1.00 5.03 H new ATOM 1836 N ALA A 125 -7.383 13.192 -7.694 1.00 23.14 N ATOM 1837 CA ALA A 125 -7.428 12.975 -9.135 1.00 74.15 C ATOM 1838 C ALA A 125 -6.130 12.355 -9.633 1.00 54.40 C ATOM 1839 O ALA A 125 -6.140 11.487 -10.504 1.00 11.10 O ATOM 1840 CB ALA A 125 -7.695 14.291 -9.854 1.00 60.44 C ATOM 0 H ALA A 125 -7.500 14.166 -7.415 1.00 23.14 H new ATOM 0 HA ALA A 125 -8.240 12.281 -9.352 1.00 74.15 H new ATOM 0 HB1 ALA A 125 -7.727 14.118 -10.930 1.00 60.44 H new ATOM 0 HB2 ALA A 125 -8.650 14.699 -9.524 1.00 60.44 H new ATOM 0 HB3 ALA A 125 -6.899 14.999 -9.624 1.00 60.44 H new ATOM 1846 N ALA A 126 -5.016 12.806 -9.074 1.00 43.10 N ATOM 1847 CA ALA A 126 -3.712 12.278 -9.436 1.00 30.21 C ATOM 1848 C ALA A 126 -3.548 10.852 -8.924 1.00 24.41 C ATOM 1849 O ALA A 126 -2.982 9.998 -9.610 1.00 13.53 O ATOM 1850 CB ALA A 126 -2.607 13.174 -8.891 1.00 52.11 C ATOM 0 H ALA A 126 -4.991 13.539 -8.365 1.00 43.10 H new ATOM 0 HA ALA A 126 -3.637 12.260 -10.523 1.00 30.21 H new ATOM 0 HB1 ALA A 126 -1.636 12.765 -9.170 1.00 52.11 H new ATOM 0 HB2 ALA A 126 -2.712 14.176 -9.307 1.00 52.11 H new ATOM 0 HB3 ALA A 126 -2.681 13.223 -7.805 1.00 52.11 H new ATOM 1856 N LEU A 127 -4.059 10.595 -7.728 1.00 33.53 N ATOM 1857 CA LEU A 127 -4.004 9.258 -7.142 1.00 11.43 C ATOM 1858 C LEU A 127 -4.855 8.288 -7.946 1.00 34.13 C ATOM 1859 O LEU A 127 -4.407 7.195 -8.296 1.00 64.13 O ATOM 1860 CB LEU A 127 -4.469 9.271 -5.670 1.00 53.42 C ATOM 1861 CG LEU A 127 -3.409 9.618 -4.607 1.00 32.54 C ATOM 1862 CD1 LEU A 127 -2.299 8.581 -4.590 1.00 43.12 C ATOM 1863 CD2 LEU A 127 -2.838 11.008 -4.826 1.00 23.43 C ATOM 0 H LEU A 127 -4.517 11.293 -7.142 1.00 33.53 H new ATOM 0 HA LEU A 127 -2.966 8.928 -7.169 1.00 11.43 H new ATOM 0 HB2 LEU A 127 -5.287 9.985 -5.579 1.00 53.42 H new ATOM 0 HB3 LEU A 127 -4.877 8.288 -5.434 1.00 53.42 H new ATOM 0 HG LEU A 127 -3.903 9.609 -3.636 1.00 32.54 H new ATOM 0 HD11 LEU A 127 -1.563 8.848 -3.832 1.00 43.12 H new ATOM 0 HD12 LEU A 127 -2.719 7.602 -4.359 1.00 43.12 H new ATOM 0 HD13 LEU A 127 -1.817 8.548 -5.567 1.00 43.12 H new ATOM 0 HD21 LEU A 127 -2.093 11.221 -4.059 1.00 23.43 H new ATOM 0 HD22 LEU A 127 -2.370 11.058 -5.809 1.00 23.43 H new ATOM 0 HD23 LEU A 127 -3.640 11.744 -4.767 1.00 23.43 H new ATOM 1875 N GLU A 128 -6.081 8.702 -8.251 1.00 64.12 N ATOM 1876 CA GLU A 128 -6.992 7.877 -9.025 1.00 45.33 C ATOM 1877 C GLU A 128 -6.433 7.623 -10.415 1.00 31.34 C ATOM 1878 O GLU A 128 -6.565 6.527 -10.952 1.00 53.13 O ATOM 1879 CB GLU A 128 -8.373 8.527 -9.118 1.00 32.11 C ATOM 1880 CG GLU A 128 -9.046 8.733 -7.772 1.00 35.32 C ATOM 1881 CD GLU A 128 -10.456 9.268 -7.895 1.00 71.33 C ATOM 1882 OE1 GLU A 128 -10.624 10.472 -8.195 1.00 12.12 O ATOM 1883 OE2 GLU A 128 -11.405 8.489 -7.696 1.00 22.12 O ATOM 0 H GLU A 128 -6.463 9.605 -7.972 1.00 64.12 H new ATOM 0 HA GLU A 128 -7.098 6.921 -8.513 1.00 45.33 H new ATOM 0 HB2 GLU A 128 -8.277 9.491 -9.617 1.00 32.11 H new ATOM 0 HB3 GLU A 128 -9.015 7.907 -9.743 1.00 32.11 H new ATOM 0 HG2 GLU A 128 -9.068 7.786 -7.234 1.00 35.32 H new ATOM 0 HG3 GLU A 128 -8.451 9.425 -7.176 1.00 35.32 H new ATOM 1890 N ALA A 129 -5.819 8.645 -10.998 1.00 13.53 N ATOM 1891 CA ALA A 129 -5.190 8.531 -12.308 1.00 41.44 C ATOM 1892 C ALA A 129 -4.096 7.470 -12.331 1.00 73.01 C ATOM 1893 O ALA A 129 -3.866 6.829 -13.359 1.00 30.22 O ATOM 1894 CB ALA A 129 -4.615 9.871 -12.724 1.00 65.34 C ATOM 0 H ALA A 129 -5.743 9.572 -10.579 1.00 13.53 H new ATOM 0 HA ALA A 129 -5.961 8.223 -13.014 1.00 41.44 H new ATOM 0 HB1 ALA A 129 -4.147 9.778 -13.704 1.00 65.34 H new ATOM 0 HB2 ALA A 129 -5.414 10.611 -12.773 1.00 65.34 H new ATOM 0 HB3 ALA A 129 -3.870 10.189 -11.995 1.00 65.34 H new ATOM 1900 N ALA A 130 -3.418 7.283 -11.212 1.00 54.31 N ATOM 1901 CA ALA A 130 -2.339 6.317 -11.135 1.00 23.34 C ATOM 1902 C ALA A 130 -2.856 4.887 -10.988 1.00 72.11 C ATOM 1903 O ALA A 130 -2.120 3.931 -11.231 1.00 55.22 O ATOM 1904 CB ALA A 130 -1.404 6.663 -9.991 1.00 13.14 C ATOM 0 H ALA A 130 -3.597 7.788 -10.344 1.00 54.31 H new ATOM 0 HA ALA A 130 -1.789 6.366 -12.075 1.00 23.34 H new ATOM 0 HB1 ALA A 130 -0.599 5.930 -9.945 1.00 13.14 H new ATOM 0 HB2 ALA A 130 -0.983 7.655 -10.153 1.00 13.14 H new ATOM 0 HB3 ALA A 130 -1.958 6.653 -9.052 1.00 13.14 H new ATOM 1910 N LEU A 131 -4.124 4.743 -10.613 1.00 22.44 N ATOM 1911 CA LEU A 131 -4.707 3.419 -10.383 1.00 74.53 C ATOM 1912 C LEU A 131 -4.692 2.539 -11.654 1.00 12.22 C ATOM 1913 O LEU A 131 -4.144 1.432 -11.627 1.00 2.44 O ATOM 1914 CB LEU A 131 -6.128 3.523 -9.803 1.00 45.44 C ATOM 1915 CG LEU A 131 -6.245 4.200 -8.434 1.00 31.21 C ATOM 1916 CD1 LEU A 131 -7.701 4.294 -8.010 1.00 44.14 C ATOM 1917 CD2 LEU A 131 -5.433 3.446 -7.389 1.00 13.12 C ATOM 0 H LEU A 131 -4.767 5.520 -10.462 1.00 22.44 H new ATOM 0 HA LEU A 131 -4.074 2.926 -9.645 1.00 74.53 H new ATOM 0 HB2 LEU A 131 -6.749 4.071 -10.512 1.00 45.44 H new ATOM 0 HB3 LEU A 131 -6.542 2.518 -9.726 1.00 45.44 H new ATOM 0 HG LEU A 131 -5.843 5.210 -8.516 1.00 31.21 H new ATOM 0 HD11 LEU A 131 -7.766 4.778 -7.035 1.00 44.14 H new ATOM 0 HD12 LEU A 131 -8.256 4.879 -8.743 1.00 44.14 H new ATOM 0 HD13 LEU A 131 -8.127 3.293 -7.947 1.00 44.14 H new ATOM 0 HD21 LEU A 131 -5.530 3.944 -6.424 1.00 13.12 H new ATOM 0 HD22 LEU A 131 -5.803 2.424 -7.309 1.00 13.12 H new ATOM 0 HD23 LEU A 131 -4.384 3.430 -7.685 1.00 13.12 H new ATOM 1929 N PRO A 132 -5.275 3.016 -12.801 1.00 0.31 N ATOM 1930 CA PRO A 132 -5.287 2.247 -14.055 1.00 3.11 C ATOM 1931 C PRO A 132 -3.879 1.950 -14.554 1.00 41.40 C ATOM 1932 O PRO A 132 -3.652 0.982 -15.275 1.00 12.31 O ATOM 1933 CB PRO A 132 -6.017 3.165 -15.047 1.00 72.41 C ATOM 1934 CG PRO A 132 -5.944 4.521 -14.440 1.00 40.10 C ATOM 1935 CD PRO A 132 -5.969 4.306 -12.961 1.00 45.32 C ATOM 0 HA PRO A 132 -5.767 1.276 -13.928 1.00 3.11 H new ATOM 0 HB2 PRO A 132 -5.541 3.145 -16.027 1.00 72.41 H new ATOM 0 HB3 PRO A 132 -7.051 2.851 -15.188 1.00 72.41 H new ATOM 0 HG2 PRO A 132 -5.034 5.038 -14.745 1.00 40.10 H new ATOM 0 HG3 PRO A 132 -6.783 5.138 -14.760 1.00 40.10 H new ATOM 0 HD2 PRO A 132 -5.458 5.108 -12.428 1.00 45.32 H new ATOM 0 HD3 PRO A 132 -6.988 4.266 -12.576 1.00 45.32 H new ATOM 1943 N MET A 133 -2.935 2.773 -14.146 1.00 24.23 N ATOM 1944 CA MET A 133 -1.557 2.606 -14.547 1.00 22.35 C ATOM 1945 C MET A 133 -0.921 1.494 -13.726 1.00 41.53 C ATOM 1946 O MET A 133 -0.215 0.628 -14.248 1.00 21.43 O ATOM 1947 CB MET A 133 -0.791 3.904 -14.337 1.00 1.10 C ATOM 1948 CG MET A 133 0.656 3.847 -14.788 1.00 43.02 C ATOM 1949 SD MET A 133 1.615 5.241 -14.179 1.00 1.32 S ATOM 1950 CE MET A 133 1.537 4.942 -12.412 1.00 42.53 C ATOM 0 H MET A 133 -3.101 3.570 -13.532 1.00 24.23 H new ATOM 0 HA MET A 133 -1.521 2.343 -15.604 1.00 22.35 H new ATOM 0 HB2 MET A 133 -1.298 4.704 -14.877 1.00 1.10 H new ATOM 0 HB3 MET A 133 -0.821 4.164 -13.279 1.00 1.10 H new ATOM 0 HG2 MET A 133 1.107 2.918 -14.439 1.00 43.02 H new ATOM 0 HG3 MET A 133 0.695 3.830 -15.877 1.00 43.02 H new ATOM 0 HE1 MET A 133 0.984 5.748 -11.931 1.00 42.53 H new ATOM 0 HE2 MET A 133 1.033 3.994 -12.225 1.00 42.53 H new ATOM 0 HE3 MET A 133 2.547 4.902 -12.005 1.00 42.53 H new ATOM 1960 N LEU A 134 -1.221 1.513 -12.436 1.00 50.34 N ATOM 1961 CA LEU A 134 -0.656 0.573 -11.490 1.00 32.22 C ATOM 1962 C LEU A 134 -1.168 -0.837 -11.763 1.00 21.34 C ATOM 1963 O LEU A 134 -0.395 -1.792 -11.783 1.00 42.24 O ATOM 1964 CB LEU A 134 -0.992 1.001 -10.059 1.00 64.14 C ATOM 1965 CG LEU A 134 -0.195 0.315 -8.949 1.00 30.42 C ATOM 1966 CD1 LEU A 134 1.284 0.656 -9.067 1.00 71.24 C ATOM 1967 CD2 LEU A 134 -0.726 0.722 -7.584 1.00 5.40 C ATOM 0 H LEU A 134 -1.865 2.184 -12.018 1.00 50.34 H new ATOM 0 HA LEU A 134 0.428 0.569 -11.607 1.00 32.22 H new ATOM 0 HB2 LEU A 134 -0.838 2.077 -9.977 1.00 64.14 H new ATOM 0 HB3 LEU A 134 -2.052 0.816 -9.885 1.00 64.14 H new ATOM 0 HG LEU A 134 -0.311 -0.763 -9.057 1.00 30.42 H new ATOM 0 HD11 LEU A 134 1.837 0.160 -8.269 1.00 71.24 H new ATOM 0 HD12 LEU A 134 1.659 0.318 -10.033 1.00 71.24 H new ATOM 0 HD13 LEU A 134 1.416 1.735 -8.983 1.00 71.24 H new ATOM 0 HD21 LEU A 134 -0.147 0.225 -6.805 1.00 5.40 H new ATOM 0 HD22 LEU A 134 -0.639 1.802 -7.467 1.00 5.40 H new ATOM 0 HD23 LEU A 134 -1.773 0.431 -7.499 1.00 5.40 H new ATOM 1979 N ARG A 135 -2.477 -0.962 -11.997 1.00 30.13 N ATOM 1980 CA ARG A 135 -3.076 -2.270 -12.284 1.00 3.22 C ATOM 1981 C ARG A 135 -2.603 -2.838 -13.622 1.00 70.54 C ATOM 1982 O ARG A 135 -2.853 -3.993 -13.934 1.00 61.22 O ATOM 1983 CB ARG A 135 -4.619 -2.233 -12.187 1.00 24.10 C ATOM 1984 CG ARG A 135 -5.324 -1.211 -13.077 1.00 35.41 C ATOM 1985 CD ARG A 135 -5.477 -1.692 -14.514 1.00 14.52 C ATOM 1986 NE ARG A 135 -6.369 -0.820 -15.285 1.00 42.53 N ATOM 1987 CZ ARG A 135 -6.379 -0.732 -16.620 1.00 43.15 C ATOM 1988 NH1 ARG A 135 -5.536 -1.453 -17.351 1.00 23.34 N ATOM 1989 NH2 ARG A 135 -7.238 0.080 -17.223 1.00 11.11 N ATOM 0 H ARG A 135 -3.137 -0.184 -11.994 1.00 30.13 H new ATOM 0 HA ARG A 135 -2.725 -2.952 -11.510 1.00 3.22 H new ATOM 0 HB2 ARG A 135 -5.002 -3.224 -12.432 1.00 24.10 H new ATOM 0 HB3 ARG A 135 -4.893 -2.033 -11.151 1.00 24.10 H new ATOM 0 HG2 ARG A 135 -6.309 -0.993 -12.664 1.00 35.41 H new ATOM 0 HG3 ARG A 135 -4.761 -0.278 -13.068 1.00 35.41 H new ATOM 0 HD2 ARG A 135 -4.498 -1.726 -14.993 1.00 14.52 H new ATOM 0 HD3 ARG A 135 -5.869 -2.709 -14.518 1.00 14.52 H new ATOM 0 HE ARG A 135 -7.028 -0.239 -14.767 1.00 42.53 H new ATOM 0 HH11 ARG A 135 -4.874 -2.080 -16.895 1.00 23.34 H new ATOM 0 HH12 ARG A 135 -5.551 -1.379 -18.368 1.00 23.34 H new ATOM 0 HH21 ARG A 135 -7.889 0.636 -16.669 1.00 11.11 H new ATOM 0 HH22 ARG A 135 -7.247 0.148 -18.241 1.00 11.11 H new ATOM 2003 N THR A 136 -1.923 -2.020 -14.404 1.00 24.44 N ATOM 2004 CA THR A 136 -1.353 -2.479 -15.650 1.00 4.23 C ATOM 2005 C THR A 136 0.048 -3.039 -15.386 1.00 65.53 C ATOM 2006 O THR A 136 0.417 -4.097 -15.899 1.00 65.43 O ATOM 2007 CB THR A 136 -1.284 -1.337 -16.694 1.00 23.33 C ATOM 2008 OG1 THR A 136 -2.606 -0.823 -16.930 1.00 70.44 O ATOM 2009 CG2 THR A 136 -0.698 -1.834 -18.009 1.00 3.12 C ATOM 0 H THR A 136 -1.754 -1.036 -14.196 1.00 24.44 H new ATOM 0 HA THR A 136 -1.993 -3.261 -16.059 1.00 4.23 H new ATOM 0 HB THR A 136 -0.639 -0.551 -16.301 1.00 23.33 H new ATOM 0 HG1 THR A 136 -2.929 -0.369 -16.124 1.00 70.44 H new ATOM 0 HG21 THR A 136 -0.661 -1.012 -18.724 1.00 3.12 H new ATOM 0 HG22 THR A 136 0.310 -2.212 -17.838 1.00 3.12 H new ATOM 0 HG23 THR A 136 -1.323 -2.633 -18.407 1.00 3.12 H new ATOM 2017 N GLN A 137 0.804 -2.335 -14.546 1.00 72.24 N ATOM 2018 CA GLN A 137 2.152 -2.752 -14.170 1.00 42.43 C ATOM 2019 C GLN A 137 2.109 -4.009 -13.299 1.00 63.55 C ATOM 2020 O GLN A 137 2.882 -4.946 -13.498 1.00 2.04 O ATOM 2021 CB GLN A 137 2.853 -1.626 -13.400 1.00 44.00 C ATOM 2022 CG GLN A 137 2.999 -0.328 -14.180 1.00 22.45 C ATOM 2023 CD GLN A 137 3.917 -0.464 -15.377 1.00 62.00 C ATOM 2024 OE1 GLN A 137 4.853 -1.257 -15.371 1.00 33.52 O ATOM 2025 NE2 GLN A 137 3.654 0.310 -16.411 1.00 13.52 N ATOM 0 H GLN A 137 0.501 -1.464 -14.109 1.00 72.24 H new ATOM 0 HA GLN A 137 2.706 -2.974 -15.082 1.00 42.43 H new ATOM 0 HB2 GLN A 137 2.295 -1.425 -12.486 1.00 44.00 H new ATOM 0 HB3 GLN A 137 3.843 -1.969 -13.100 1.00 44.00 H new ATOM 0 HG2 GLN A 137 2.016 0.001 -14.517 1.00 22.45 H new ATOM 0 HG3 GLN A 137 3.385 0.447 -13.518 1.00 22.45 H new ATOM 0 HE21 GLN A 137 2.866 0.957 -16.377 1.00 13.52 H new ATOM 0 HE22 GLN A 137 4.239 0.262 -17.246 1.00 13.52 H new ATOM 2034 N LEU A 138 1.193 -4.023 -12.339 1.00 22.15 N ATOM 2035 CA LEU A 138 1.057 -5.151 -11.420 1.00 4.51 C ATOM 2036 C LEU A 138 0.500 -6.381 -12.123 1.00 11.45 C ATOM 2037 O LEU A 138 0.772 -7.510 -11.719 1.00 44.12 O ATOM 2038 CB LEU A 138 0.181 -4.772 -10.215 1.00 71.00 C ATOM 2039 CG LEU A 138 0.915 -4.153 -9.008 1.00 54.12 C ATOM 2040 CD1 LEU A 138 1.851 -5.167 -8.366 1.00 11.41 C ATOM 2041 CD2 LEU A 138 1.687 -2.909 -9.418 1.00 51.14 C ATOM 0 H LEU A 138 0.531 -3.265 -12.175 1.00 22.15 H new ATOM 0 HA LEU A 138 2.054 -5.400 -11.057 1.00 4.51 H new ATOM 0 HB2 LEU A 138 -0.579 -4.067 -10.552 1.00 71.00 H new ATOM 0 HB3 LEU A 138 -0.342 -5.667 -9.876 1.00 71.00 H new ATOM 0 HG LEU A 138 0.163 -3.863 -8.275 1.00 54.12 H new ATOM 0 HD11 LEU A 138 2.358 -4.708 -7.517 1.00 11.41 H new ATOM 0 HD12 LEU A 138 1.276 -6.027 -8.023 1.00 11.41 H new ATOM 0 HD13 LEU A 138 2.591 -5.493 -9.097 1.00 11.41 H new ATOM 0 HD21 LEU A 138 2.195 -2.493 -8.548 1.00 51.14 H new ATOM 0 HD22 LEU A 138 2.424 -3.172 -10.177 1.00 51.14 H new ATOM 0 HD23 LEU A 138 0.996 -2.169 -9.823 1.00 51.14 H new ATOM 2053 N ALA A 139 -0.261 -6.160 -13.184 1.00 75.45 N ATOM 2054 CA ALA A 139 -0.829 -7.258 -13.955 1.00 31.03 C ATOM 2055 C ALA A 139 0.278 -8.105 -14.575 1.00 10.01 C ATOM 2056 O ALA A 139 0.145 -9.321 -14.705 1.00 41.41 O ATOM 2057 CB ALA A 139 -1.764 -6.728 -15.029 1.00 31.41 C ATOM 0 H ALA A 139 -0.500 -5.231 -13.532 1.00 75.45 H new ATOM 0 HA ALA A 139 -1.407 -7.890 -13.280 1.00 31.03 H new ATOM 0 HB1 ALA A 139 -2.179 -7.562 -15.595 1.00 31.41 H new ATOM 0 HB2 ALA A 139 -2.574 -6.168 -14.562 1.00 31.41 H new ATOM 0 HB3 ALA A 139 -1.211 -6.073 -15.702 1.00 31.41 H new ATOM 2063 N GLU A 140 1.386 -7.448 -14.917 1.00 31.01 N ATOM 2064 CA GLU A 140 2.543 -8.122 -15.509 1.00 71.32 C ATOM 2065 C GLU A 140 3.287 -8.929 -14.450 1.00 73.14 C ATOM 2066 O GLU A 140 4.067 -9.823 -14.765 1.00 74.53 O ATOM 2067 CB GLU A 140 3.501 -7.102 -16.119 1.00 35.43 C ATOM 2068 CG GLU A 140 2.862 -6.154 -17.115 1.00 32.43 C ATOM 2069 CD GLU A 140 3.857 -5.165 -17.674 1.00 44.24 C ATOM 2070 OE1 GLU A 140 4.284 -4.256 -16.931 1.00 33.53 O ATOM 2071 OE2 GLU A 140 4.233 -5.295 -18.855 1.00 52.12 O ATOM 0 H GLU A 140 1.508 -6.443 -14.793 1.00 31.01 H new ATOM 0 HA GLU A 140 2.180 -8.791 -16.289 1.00 71.32 H new ATOM 0 HB2 GLU A 140 3.948 -6.517 -15.315 1.00 35.43 H new ATOM 0 HB3 GLU A 140 4.312 -7.636 -16.614 1.00 35.43 H new ATOM 0 HG2 GLU A 140 2.423 -6.728 -17.931 1.00 32.43 H new ATOM 0 HG3 GLU A 140 2.048 -5.615 -16.631 1.00 32.43 H new ATOM 2078 N SER A 141 3.035 -8.604 -13.196 1.00 43.42 N ATOM 2079 CA SER A 141 3.690 -9.260 -12.084 1.00 43.24 C ATOM 2080 C SER A 141 2.801 -10.382 -11.532 1.00 41.43 C ATOM 2081 O SER A 141 3.246 -11.218 -10.734 1.00 45.40 O ATOM 2082 CB SER A 141 3.997 -8.223 -10.993 1.00 21.33 C ATOM 2083 OG SER A 141 4.773 -8.773 -9.948 1.00 43.43 O ATOM 0 H SER A 141 2.372 -7.879 -12.922 1.00 43.42 H new ATOM 0 HA SER A 141 4.625 -9.706 -12.423 1.00 43.24 H new ATOM 0 HB2 SER A 141 4.527 -7.379 -11.433 1.00 21.33 H new ATOM 0 HB3 SER A 141 3.063 -7.836 -10.587 1.00 21.33 H new ATOM 0 HG SER A 141 4.638 -9.743 -9.916 1.00 43.43 H new ATOM 2089 N GLY A 142 1.551 -10.395 -11.969 1.00 64.23 N ATOM 2090 CA GLY A 142 0.619 -11.405 -11.526 1.00 2.54 C ATOM 2091 C GLY A 142 -0.237 -10.929 -10.373 1.00 20.33 C ATOM 2092 O GLY A 142 -0.523 -11.687 -9.443 1.00 53.24 O ATOM 0 H GLY A 142 1.165 -9.718 -12.627 1.00 64.23 H new ATOM 0 HA2 GLY A 142 -0.023 -11.693 -12.358 1.00 2.54 H new ATOM 0 HA3 GLY A 142 1.169 -12.296 -11.224 1.00 2.54 H new ATOM 2096 N ILE A 143 -0.637 -9.669 -10.428 1.00 5.55 N ATOM 2097 CA ILE A 143 -1.472 -9.075 -9.398 1.00 30.54 C ATOM 2098 C ILE A 143 -2.609 -8.287 -10.045 1.00 41.15 C ATOM 2099 O ILE A 143 -2.379 -7.456 -10.924 1.00 12.35 O ATOM 2100 CB ILE A 143 -0.673 -8.129 -8.433 1.00 54.53 C ATOM 2101 CG1 ILE A 143 0.321 -8.914 -7.555 1.00 2.12 C ATOM 2102 CG2 ILE A 143 -1.617 -7.319 -7.553 1.00 52.45 C ATOM 2103 CD1 ILE A 143 1.651 -9.202 -8.219 1.00 73.12 C ATOM 0 H ILE A 143 -0.393 -9.031 -11.186 1.00 5.55 H new ATOM 0 HA ILE A 143 -1.865 -9.896 -8.799 1.00 30.54 H new ATOM 0 HB ILE A 143 -0.103 -7.445 -9.061 1.00 54.53 H new ATOM 0 HG12 ILE A 143 0.501 -8.351 -6.639 1.00 2.12 H new ATOM 0 HG13 ILE A 143 -0.138 -9.859 -7.264 1.00 2.12 H new ATOM 0 HG21 ILE A 143 -1.036 -6.673 -6.895 1.00 52.45 H new ATOM 0 HG22 ILE A 143 -2.266 -6.708 -8.181 1.00 52.45 H new ATOM 0 HG23 ILE A 143 -2.225 -7.996 -6.953 1.00 52.45 H new ATOM 0 HD11 ILE A 143 2.289 -9.757 -7.531 1.00 73.12 H new ATOM 0 HD12 ILE A 143 1.487 -9.794 -9.120 1.00 73.12 H new ATOM 0 HD13 ILE A 143 2.136 -8.263 -8.485 1.00 73.12 H new ATOM 2115 N GLN A 144 -3.820 -8.557 -9.611 1.00 40.51 N ATOM 2116 CA GLN A 144 -4.990 -7.878 -10.127 1.00 24.52 C ATOM 2117 C GLN A 144 -5.591 -7.012 -9.036 1.00 64.04 C ATOM 2118 O GLN A 144 -6.125 -7.528 -8.058 1.00 74.23 O ATOM 2119 CB GLN A 144 -6.031 -8.885 -10.626 1.00 12.02 C ATOM 2120 CG GLN A 144 -5.539 -9.794 -11.741 1.00 23.01 C ATOM 2121 CD GLN A 144 -6.626 -10.717 -12.257 1.00 73.11 C ATOM 2122 OE1 GLN A 144 -7.354 -10.382 -13.190 1.00 20.23 O ATOM 2123 NE2 GLN A 144 -6.755 -11.876 -11.649 1.00 41.50 N ATOM 0 H GLN A 144 -4.022 -9.252 -8.892 1.00 40.51 H new ATOM 0 HA GLN A 144 -4.690 -7.254 -10.969 1.00 24.52 H new ATOM 0 HB2 GLN A 144 -6.354 -9.501 -9.787 1.00 12.02 H new ATOM 0 HB3 GLN A 144 -6.907 -8.340 -10.978 1.00 12.02 H new ATOM 0 HG2 GLN A 144 -5.163 -9.185 -12.563 1.00 23.01 H new ATOM 0 HG3 GLN A 144 -4.702 -10.390 -11.377 1.00 23.01 H new ATOM 0 HE21 GLN A 144 -6.133 -12.120 -10.878 1.00 41.50 H new ATOM 0 HE22 GLN A 144 -7.477 -12.531 -11.948 1.00 41.50 H new ATOM 2132 N LEU A 145 -5.461 -5.701 -9.175 1.00 72.25 N ATOM 2133 CA LEU A 145 -6.008 -4.781 -8.187 1.00 43.14 C ATOM 2134 C LEU A 145 -7.540 -4.814 -8.170 1.00 15.14 C ATOM 2135 O LEU A 145 -8.144 -5.680 -7.530 1.00 12.32 O ATOM 2136 CB LEU A 145 -5.506 -3.343 -8.420 1.00 2.12 C ATOM 2137 CG LEU A 145 -3.989 -3.131 -8.344 1.00 35.01 C ATOM 2138 CD1 LEU A 145 -3.646 -1.662 -8.520 1.00 44.51 C ATOM 2139 CD2 LEU A 145 -3.436 -3.651 -7.030 1.00 15.14 C ATOM 0 H LEU A 145 -4.985 -5.252 -9.957 1.00 72.25 H new ATOM 0 HA LEU A 145 -5.653 -5.115 -7.212 1.00 43.14 H new ATOM 0 HB2 LEU A 145 -5.848 -3.016 -9.402 1.00 2.12 H new ATOM 0 HB3 LEU A 145 -5.979 -2.692 -7.685 1.00 2.12 H new ATOM 0 HG LEU A 145 -3.527 -3.694 -9.155 1.00 35.01 H new ATOM 0 HD11 LEU A 145 -2.565 -1.531 -8.463 1.00 44.51 H new ATOM 0 HD12 LEU A 145 -4.002 -1.319 -9.491 1.00 44.51 H new ATOM 0 HD13 LEU A 145 -4.124 -1.080 -7.732 1.00 44.51 H new ATOM 0 HD21 LEU A 145 -2.358 -3.490 -6.999 1.00 15.14 H new ATOM 0 HD22 LEU A 145 -3.906 -3.120 -6.202 1.00 15.14 H new ATOM 0 HD23 LEU A 145 -3.646 -4.717 -6.943 1.00 15.14 H new ATOM 2151 N GLY A 146 -8.164 -3.888 -8.891 1.00 21.12 N ATOM 2152 CA GLY A 146 -9.617 -3.803 -8.903 1.00 71.52 C ATOM 2153 C GLY A 146 -10.149 -3.182 -7.626 1.00 45.03 C ATOM 2154 O GLY A 146 -10.902 -2.204 -7.658 1.00 62.33 O ATOM 0 H GLY A 146 -7.691 -3.193 -9.469 1.00 21.12 H new ATOM 0 HA2 GLY A 146 -9.941 -3.211 -9.759 1.00 71.52 H new ATOM 0 HA3 GLY A 146 -10.040 -4.800 -9.027 1.00 71.52 H new ATOM 2158 N GLN A 147 -9.755 -3.752 -6.507 1.00 34.15 N ATOM 2159 CA GLN A 147 -10.135 -3.257 -5.213 1.00 5.33 C ATOM 2160 C GLN A 147 -9.238 -2.086 -4.828 1.00 4.03 C ATOM 2161 O GLN A 147 -8.031 -2.247 -4.643 1.00 34.42 O ATOM 2162 CB GLN A 147 -10.015 -4.368 -4.171 1.00 13.31 C ATOM 2163 CG GLN A 147 -10.914 -5.565 -4.417 1.00 43.24 C ATOM 2164 CD GLN A 147 -10.763 -6.629 -3.345 1.00 21.33 C ATOM 2165 OE1 GLN A 147 -10.458 -6.328 -2.193 1.00 63.15 O ATOM 2166 NE2 GLN A 147 -10.974 -7.876 -3.712 1.00 10.05 N ATOM 0 H GLN A 147 -9.157 -4.578 -6.476 1.00 34.15 H new ATOM 0 HA GLN A 147 -11.171 -2.919 -5.251 1.00 5.33 H new ATOM 0 HB2 GLN A 147 -8.980 -4.708 -4.139 1.00 13.31 H new ATOM 0 HB3 GLN A 147 -10.244 -3.954 -3.189 1.00 13.31 H new ATOM 0 HG2 GLN A 147 -11.952 -5.235 -4.455 1.00 43.24 H new ATOM 0 HG3 GLN A 147 -10.681 -5.997 -5.390 1.00 43.24 H new ATOM 0 HE21 GLN A 147 -11.226 -8.088 -4.678 1.00 10.05 H new ATOM 0 HE22 GLN A 147 -10.886 -8.630 -3.031 1.00 10.05 H new ATOM 2175 N SER A 148 -9.814 -0.912 -4.745 1.00 21.44 N ATOM 2176 CA SER A 148 -9.071 0.274 -4.377 1.00 2.34 C ATOM 2177 C SER A 148 -9.947 1.200 -3.547 1.00 41.21 C ATOM 2178 O SER A 148 -11.136 1.357 -3.828 1.00 1.55 O ATOM 2179 CB SER A 148 -8.570 0.992 -5.633 1.00 61.32 C ATOM 2180 OG SER A 148 -7.812 0.108 -6.450 1.00 41.15 O ATOM 0 H SER A 148 -10.804 -0.749 -4.929 1.00 21.44 H new ATOM 0 HA SER A 148 -8.208 -0.018 -3.778 1.00 2.34 H new ATOM 0 HB2 SER A 148 -9.417 1.380 -6.198 1.00 61.32 H new ATOM 0 HB3 SER A 148 -7.957 1.847 -5.349 1.00 61.32 H new ATOM 0 HG SER A 148 -7.502 0.585 -7.248 1.00 41.15 H new ATOM 2186 N SER A 149 -9.366 1.802 -2.527 1.00 1.13 N ATOM 2187 CA SER A 149 -10.104 2.684 -1.650 1.00 73.42 C ATOM 2188 C SER A 149 -9.262 3.895 -1.266 1.00 31.31 C ATOM 2189 O SER A 149 -8.083 3.765 -0.939 1.00 2.54 O ATOM 2190 CB SER A 149 -10.532 1.929 -0.387 1.00 24.10 C ATOM 2191 OG SER A 149 -11.155 0.695 -0.712 1.00 21.24 O ATOM 0 H SER A 149 -8.381 1.694 -2.286 1.00 1.13 H new ATOM 0 HA SER A 149 -10.990 3.032 -2.181 1.00 73.42 H new ATOM 0 HB2 SER A 149 -9.661 1.745 0.242 1.00 24.10 H new ATOM 0 HB3 SER A 149 -11.220 2.545 0.192 1.00 24.10 H new ATOM 0 HG SER A 149 -10.474 0.049 -0.992 1.00 21.24 H new ATOM 2197 N ILE A 150 -9.879 5.058 -1.302 1.00 32.54 N ATOM 2198 CA ILE A 150 -9.223 6.302 -0.940 1.00 61.10 C ATOM 2199 C ILE A 150 -10.073 6.997 0.106 1.00 64.15 C ATOM 2200 O ILE A 150 -11.185 7.453 -0.187 1.00 14.34 O ATOM 2201 CB ILE A 150 -9.030 7.237 -2.163 1.00 3.23 C ATOM 2202 CG1 ILE A 150 -8.213 6.530 -3.254 1.00 61.32 C ATOM 2203 CG2 ILE A 150 -8.347 8.536 -1.736 1.00 54.14 C ATOM 2204 CD1 ILE A 150 -8.025 7.353 -4.513 1.00 12.44 C ATOM 0 H ILE A 150 -10.853 5.170 -1.584 1.00 32.54 H new ATOM 0 HA ILE A 150 -8.231 6.074 -0.551 1.00 61.10 H new ATOM 0 HB ILE A 150 -10.010 7.482 -2.573 1.00 3.23 H new ATOM 0 HG12 ILE A 150 -7.234 6.272 -2.851 1.00 61.32 H new ATOM 0 HG13 ILE A 150 -8.707 5.594 -3.514 1.00 61.32 H new ATOM 0 HG21 ILE A 150 -8.218 9.182 -2.605 1.00 54.14 H new ATOM 0 HG22 ILE A 150 -8.963 9.044 -0.994 1.00 54.14 H new ATOM 0 HG23 ILE A 150 -7.372 8.310 -1.305 1.00 54.14 H new ATOM 0 HD11 ILE A 150 -7.438 6.785 -5.235 1.00 12.44 H new ATOM 0 HD12 ILE A 150 -8.999 7.589 -4.942 1.00 12.44 H new ATOM 0 HD13 ILE A 150 -7.503 8.278 -4.268 1.00 12.44 H new ATOM 2216 N SER A 151 -9.575 7.055 1.318 1.00 60.12 N ATOM 2217 CA SER A 151 -10.345 7.592 2.414 1.00 33.02 C ATOM 2218 C SER A 151 -9.494 8.501 3.290 1.00 41.02 C ATOM 2219 O SER A 151 -8.296 8.299 3.416 1.00 31.33 O ATOM 2220 CB SER A 151 -10.879 6.434 3.257 1.00 51.05 C ATOM 2221 OG SER A 151 -11.383 5.386 2.434 1.00 51.20 O ATOM 0 H SER A 151 -8.639 6.737 1.570 1.00 60.12 H new ATOM 0 HA SER A 151 -11.167 8.181 2.008 1.00 33.02 H new ATOM 0 HB2 SER A 151 -10.084 6.048 3.895 1.00 51.05 H new ATOM 0 HB3 SER A 151 -11.669 6.795 3.916 1.00 51.05 H new ATOM 0 HG SER A 151 -11.717 4.658 2.999 1.00 51.20 H new ATOM 2227 N SER A 152 -10.124 9.494 3.893 1.00 40.01 N ATOM 2228 CA SER A 152 -9.444 10.374 4.822 1.00 44.40 C ATOM 2229 C SER A 152 -9.364 9.686 6.178 1.00 74.14 C ATOM 2230 O SER A 152 -8.463 9.944 6.975 1.00 35.21 O ATOM 2231 CB SER A 152 -10.198 11.699 4.941 1.00 63.50 C ATOM 2232 OG SER A 152 -10.372 12.302 3.667 1.00 15.42 O ATOM 0 H SER A 152 -11.111 9.710 3.754 1.00 40.01 H new ATOM 0 HA SER A 152 -8.438 10.587 4.460 1.00 44.40 H new ATOM 0 HB2 SER A 152 -11.171 11.528 5.402 1.00 63.50 H new ATOM 0 HB3 SER A 152 -9.650 12.376 5.596 1.00 63.50 H new ATOM 0 HG SER A 152 -11.124 11.877 3.204 1.00 15.42 H new ATOM 2238 N GLU A 153 -10.325 8.803 6.419 1.00 51.24 N ATOM 2239 CA GLU A 153 -10.373 8.001 7.630 1.00 11.10 C ATOM 2240 C GLU A 153 -11.169 6.711 7.397 1.00 32.44 C ATOM 2241 O GLU A 153 -10.776 5.639 7.854 1.00 13.11 O ATOM 2242 CB GLU A 153 -10.908 8.810 8.842 1.00 43.14 C ATOM 2243 CG GLU A 153 -11.976 9.857 8.517 1.00 13.41 C ATOM 2244 CD GLU A 153 -13.252 9.259 7.994 1.00 24.54 C ATOM 2245 OE1 GLU A 153 -13.969 8.609 8.770 1.00 72.11 O ATOM 2246 OE2 GLU A 153 -13.542 9.426 6.798 1.00 64.33 O ATOM 0 H GLU A 153 -11.096 8.624 5.775 1.00 51.24 H new ATOM 0 HA GLU A 153 -9.351 7.716 7.881 1.00 11.10 H new ATOM 0 HB2 GLU A 153 -11.320 8.111 9.570 1.00 43.14 H new ATOM 0 HB3 GLU A 153 -10.067 9.311 9.321 1.00 43.14 H new ATOM 0 HG2 GLU A 153 -12.194 10.435 9.415 1.00 13.41 H new ATOM 0 HG3 GLU A 153 -11.580 10.554 7.779 1.00 13.41 H new ATOM 2284 N ALA A 156 -16.178 9.594 3.421 1.00 52.03 N ATOM 2285 CA ALA A 156 -16.387 11.030 3.479 1.00 5.55 C ATOM 2286 C ALA A 156 -17.246 11.489 2.321 1.00 61.13 C ATOM 2287 O ALA A 156 -17.097 11.010 1.194 1.00 63.24 O ATOM 2288 CB ALA A 156 -15.052 11.764 3.470 1.00 1.31 C ATOM 0 HA ALA A 156 -16.906 11.263 4.409 1.00 5.55 H new ATOM 0 HB1 ALA A 156 -15.227 12.839 3.514 1.00 1.31 H new ATOM 0 HB2 ALA A 156 -14.462 11.457 4.334 1.00 1.31 H new ATOM 0 HB3 ALA A 156 -14.510 11.522 2.556 1.00 1.31 H new ATOM 2294 N GLY A 157 -18.148 12.405 2.607 1.00 64.05 N ATOM 2295 CA GLY A 157 -19.047 12.914 1.603 1.00 64.45 C ATOM 2296 C GLY A 157 -20.449 13.024 2.144 1.00 62.31 C ATOM 2297 O GLY A 157 -20.668 13.687 3.158 1.00 11.32 O ATOM 0 H GLY A 157 -18.275 12.812 3.534 1.00 64.05 H new ATOM 0 HA2 GLY A 157 -18.705 13.892 1.265 1.00 64.45 H new ATOM 0 HA3 GLY A 157 -19.039 12.256 0.734 1.00 64.45 H new ATOM 2301 N GLN A 158 -21.406 12.392 1.455 1.00 14.24 N ATOM 2302 CA GLN A 158 -22.816 12.331 1.897 1.00 4.52 C ATOM 2303 C GLN A 158 -23.524 13.695 1.821 1.00 13.33 C ATOM 2304 O GLN A 158 -24.730 13.792 2.074 1.00 31.23 O ATOM 2305 CB GLN A 158 -22.907 11.765 3.323 1.00 62.23 C ATOM 2306 CG GLN A 158 -22.336 10.364 3.468 1.00 51.25 C ATOM 2307 CD GLN A 158 -22.197 9.932 4.914 1.00 0.14 C ATOM 2308 OE1 GLN A 158 -21.971 10.755 5.803 1.00 0.34 O ATOM 2309 NE2 GLN A 158 -22.332 8.644 5.162 1.00 3.53 N ATOM 0 H GLN A 158 -21.231 11.907 0.575 1.00 14.24 H new ATOM 0 HA GLN A 158 -23.333 11.665 1.207 1.00 4.52 H new ATOM 0 HB2 GLN A 158 -22.379 12.434 4.003 1.00 62.23 H new ATOM 0 HB3 GLN A 158 -23.952 11.755 3.633 1.00 62.23 H new ATOM 0 HG2 GLN A 158 -22.980 9.658 2.943 1.00 51.25 H new ATOM 0 HG3 GLN A 158 -21.359 10.323 2.986 1.00 51.25 H new ATOM 0 HE21 GLN A 158 -22.519 7.994 4.398 1.00 3.53 H new ATOM 0 HE22 GLN A 158 -22.250 8.297 6.118 1.00 3.53 H new ATOM 2318 N GLN A 159 -22.779 14.734 1.490 1.00 10.25 N ATOM 2319 CA GLN A 159 -23.335 16.074 1.392 1.00 62.12 C ATOM 2320 C GLN A 159 -24.034 16.274 0.052 1.00 62.34 C ATOM 2321 O GLN A 159 -23.471 15.968 -1.007 1.00 43.24 O ATOM 2322 CB GLN A 159 -22.239 17.131 1.584 1.00 34.11 C ATOM 2323 CG GLN A 159 -21.109 17.037 0.573 1.00 31.00 C ATOM 2324 CD GLN A 159 -20.091 18.142 0.724 1.00 62.11 C ATOM 2325 OE1 GLN A 159 -20.228 19.216 0.136 1.00 34.01 O ATOM 2326 NE2 GLN A 159 -19.062 17.889 1.499 1.00 14.00 N ATOM 0 H GLN A 159 -21.782 14.676 1.283 1.00 10.25 H new ATOM 0 HA GLN A 159 -24.073 16.192 2.186 1.00 62.12 H new ATOM 0 HB2 GLN A 159 -22.689 18.122 1.521 1.00 34.11 H new ATOM 0 HB3 GLN A 159 -21.825 17.033 2.587 1.00 34.11 H new ATOM 0 HG2 GLN A 159 -20.611 16.074 0.681 1.00 31.00 H new ATOM 0 HG3 GLN A 159 -21.526 17.069 -0.434 1.00 31.00 H new ATOM 0 HE21 GLN A 159 -18.986 16.986 1.968 1.00 14.00 H new ATOM 0 HE22 GLN A 159 -18.338 18.595 1.632 1.00 14.00 H new ATOM 2335 N GLN A 160 -25.251 16.779 0.094 1.00 15.51 N ATOM 2336 CA GLN A 160 -26.006 17.027 -1.117 1.00 41.41 C ATOM 2337 C GLN A 160 -27.021 18.139 -0.910 1.00 32.33 C ATOM 2338 O GLN A 160 -27.683 18.211 0.129 1.00 2.30 O ATOM 2339 CB GLN A 160 -26.701 15.743 -1.600 1.00 32.53 C ATOM 2340 CG GLN A 160 -27.525 15.908 -2.881 1.00 73.22 C ATOM 2341 CD GLN A 160 -26.709 16.395 -4.080 1.00 22.10 C ATOM 2342 OE1 GLN A 160 -25.734 17.138 -3.935 1.00 23.02 O ATOM 2343 NE2 GLN A 160 -27.106 15.984 -5.264 1.00 34.31 N ATOM 0 H GLN A 160 -25.738 17.026 0.955 1.00 15.51 H new ATOM 0 HA GLN A 160 -25.305 17.348 -1.888 1.00 41.41 H new ATOM 0 HB2 GLN A 160 -25.944 14.976 -1.766 1.00 32.53 H new ATOM 0 HB3 GLN A 160 -27.355 15.379 -0.807 1.00 32.53 H new ATOM 0 HG2 GLN A 160 -27.986 14.953 -3.131 1.00 73.22 H new ATOM 0 HG3 GLN A 160 -28.334 16.613 -2.693 1.00 73.22 H new ATOM 0 HE21 GLN A 160 -27.916 15.370 -5.345 1.00 34.31 H new ATOM 0 HE22 GLN A 160 -26.603 16.279 -6.101 1.00 34.31 H new ATOM 2352 N SER A 161 -27.131 19.004 -1.894 1.00 21.14 N ATOM 2353 CA SER A 161 -28.065 20.095 -1.850 1.00 54.01 C ATOM 2354 C SER A 161 -28.612 20.358 -3.248 1.00 1.43 C ATOM 2355 O SER A 161 -28.022 19.926 -4.247 1.00 14.35 O ATOM 2356 CB SER A 161 -27.395 21.355 -1.280 1.00 34.42 C ATOM 2357 OG SER A 161 -28.336 22.405 -1.092 1.00 52.22 O ATOM 0 H SER A 161 -26.572 18.966 -2.746 1.00 21.14 H new ATOM 0 HA SER A 161 -28.893 19.829 -1.193 1.00 54.01 H new ATOM 0 HB2 SER A 161 -26.919 21.117 -0.329 1.00 34.42 H new ATOM 0 HB3 SER A 161 -26.607 21.687 -1.956 1.00 34.42 H new ATOM 0 HG SER A 161 -27.880 23.192 -0.727 1.00 52.22 H new ATOM 2363 N SER A 162 -29.726 21.060 -3.314 1.00 50.44 N ATOM 2364 CA SER A 162 -30.387 21.384 -4.566 1.00 74.34 C ATOM 2365 C SER A 162 -31.357 22.537 -4.336 1.00 72.23 C ATOM 2366 O SER A 162 -32.334 22.401 -3.601 1.00 40.53 O ATOM 2367 CB SER A 162 -31.160 20.164 -5.109 1.00 63.35 C ATOM 2368 OG SER A 162 -30.297 19.052 -5.334 1.00 3.34 O ATOM 0 H SER A 162 -30.204 21.426 -2.491 1.00 50.44 H new ATOM 0 HA SER A 162 -29.631 21.669 -5.298 1.00 74.34 H new ATOM 0 HB2 SER A 162 -31.940 19.882 -4.401 1.00 63.35 H new ATOM 0 HB3 SER A 162 -31.657 20.433 -6.041 1.00 63.35 H new ATOM 0 HG SER A 162 -29.365 19.354 -5.325 1.00 3.34 H new ATOM 2374 N SER A 163 -31.065 23.670 -4.934 1.00 41.42 N ATOM 2375 CA SER A 163 -31.893 24.847 -4.783 1.00 65.23 C ATOM 2376 C SER A 163 -31.972 25.615 -6.095 1.00 15.30 C ATOM 2377 O SER A 163 -30.988 25.694 -6.834 1.00 1.22 O ATOM 2378 CB SER A 163 -31.335 25.738 -3.668 1.00 61.11 C ATOM 2379 OG SER A 163 -29.937 25.949 -3.831 1.00 32.32 O ATOM 0 H SER A 163 -30.252 23.802 -5.536 1.00 41.42 H new ATOM 0 HA SER A 163 -32.902 24.536 -4.511 1.00 65.23 H new ATOM 0 HB2 SER A 163 -31.853 26.697 -3.671 1.00 61.11 H new ATOM 0 HB3 SER A 163 -31.526 25.276 -2.699 1.00 61.11 H new ATOM 0 HG SER A 163 -29.606 26.522 -3.108 1.00 32.32 H new ATOM 2385 N GLN A 164 -33.137 26.168 -6.383 1.00 72.01 N ATOM 2386 CA GLN A 164 -33.347 26.916 -7.607 1.00 44.04 C ATOM 2387 C GLN A 164 -34.565 27.818 -7.451 1.00 42.21 C ATOM 2388 O GLN A 164 -35.504 27.484 -6.724 1.00 10.22 O ATOM 2389 CB GLN A 164 -33.564 25.946 -8.780 1.00 72.11 C ATOM 2390 CG GLN A 164 -32.864 26.341 -10.081 1.00 75.51 C ATOM 2391 CD GLN A 164 -33.315 27.679 -10.630 1.00 53.23 C ATOM 2392 OE1 GLN A 164 -32.737 28.718 -10.317 1.00 3.44 O ATOM 2393 NE2 GLN A 164 -34.351 27.666 -11.441 1.00 54.22 N ATOM 0 H GLN A 164 -33.957 26.111 -5.779 1.00 72.01 H new ATOM 0 HA GLN A 164 -32.469 27.529 -7.810 1.00 44.04 H new ATOM 0 HB2 GLN A 164 -33.216 24.957 -8.483 1.00 72.11 H new ATOM 0 HB3 GLN A 164 -34.634 25.863 -8.971 1.00 72.11 H new ATOM 0 HG2 GLN A 164 -31.788 26.372 -9.910 1.00 75.51 H new ATOM 0 HG3 GLN A 164 -33.046 25.570 -10.830 1.00 75.51 H new ATOM 0 HE21 GLN A 164 -34.803 26.783 -11.676 1.00 54.22 H new ATOM 0 HE22 GLN A 164 -34.702 28.539 -11.834 1.00 54.22 H new ATOM 2402 N GLN A 165 -34.541 28.949 -8.123 1.00 5.54 N ATOM 2403 CA GLN A 165 -35.641 29.888 -8.100 1.00 1.21 C ATOM 2404 C GLN A 165 -35.540 30.821 -9.293 1.00 0.33 C ATOM 2405 O GLN A 165 -34.570 31.578 -9.427 1.00 13.40 O ATOM 2406 CB GLN A 165 -35.653 30.689 -6.797 1.00 71.35 C ATOM 2407 CG GLN A 165 -36.843 31.624 -6.671 1.00 71.33 C ATOM 2408 CD GLN A 165 -36.863 32.375 -5.360 1.00 74.42 C ATOM 2409 OE1 GLN A 165 -35.819 32.669 -4.775 1.00 24.23 O ATOM 2410 NE2 GLN A 165 -38.049 32.686 -4.887 1.00 3.22 N ATOM 0 H GLN A 165 -33.755 29.244 -8.703 1.00 5.54 H new ATOM 0 HA GLN A 165 -36.576 29.330 -8.157 1.00 1.21 H new ATOM 0 HB2 GLN A 165 -35.654 29.997 -5.955 1.00 71.35 H new ATOM 0 HB3 GLN A 165 -34.734 31.272 -6.730 1.00 71.35 H new ATOM 0 HG2 GLN A 165 -36.826 32.339 -7.494 1.00 71.33 H new ATOM 0 HG3 GLN A 165 -37.763 31.048 -6.768 1.00 71.33 H new ATOM 0 HE21 GLN A 165 -38.889 32.424 -5.403 1.00 3.22 H new ATOM 0 HE22 GLN A 165 -38.130 33.190 -4.004 1.00 3.22 H new ATOM 2419 N GLN A 166 -36.527 30.755 -10.164 1.00 33.13 N ATOM 2420 CA GLN A 166 -36.538 31.566 -11.371 1.00 1.22 C ATOM 2421 C GLN A 166 -36.989 32.997 -11.097 1.00 70.21 C ATOM 2422 O GLN A 166 -37.180 33.397 -9.942 1.00 51.14 O ATOM 2423 CB GLN A 166 -37.410 30.907 -12.460 1.00 30.52 C ATOM 2424 CG GLN A 166 -38.852 30.563 -12.050 1.00 25.31 C ATOM 2425 CD GLN A 166 -39.772 31.776 -11.933 1.00 45.25 C ATOM 2426 OE1 GLN A 166 -40.346 32.228 -12.923 1.00 5.10 O ATOM 2427 NE2 GLN A 166 -39.952 32.276 -10.722 1.00 31.25 N ATOM 0 H GLN A 166 -37.338 30.145 -10.060 1.00 33.13 H new ATOM 0 HA GLN A 166 -35.513 31.622 -11.736 1.00 1.22 H new ATOM 0 HB2 GLN A 166 -37.447 31.574 -13.321 1.00 30.52 H new ATOM 0 HB3 GLN A 166 -36.918 29.991 -12.787 1.00 30.52 H new ATOM 0 HG2 GLN A 166 -39.271 29.871 -12.781 1.00 25.31 H new ATOM 0 HG3 GLN A 166 -38.832 30.042 -11.093 1.00 25.31 H new ATOM 0 HE21 GLN A 166 -39.458 31.874 -9.926 1.00 31.25 H new ATOM 0 HE22 GLN A 166 -40.585 33.064 -10.584 1.00 31.25 H new ATOM 2436 N SER A 167 -37.173 33.756 -12.164 1.00 31.04 N ATOM 2437 CA SER A 167 -37.612 35.136 -12.088 1.00 53.04 C ATOM 2438 C SER A 167 -38.201 35.548 -13.432 1.00 3.24 C ATOM 2439 O SER A 167 -38.153 34.777 -14.399 1.00 73.41 O ATOM 2440 CB SER A 167 -36.432 36.055 -11.731 1.00 65.32 C ATOM 2441 OG SER A 167 -35.841 35.680 -10.493 1.00 32.12 O ATOM 0 H SER A 167 -37.020 33.426 -13.117 1.00 31.04 H new ATOM 0 HA SER A 167 -38.370 35.229 -11.310 1.00 53.04 H new ATOM 0 HB2 SER A 167 -35.683 36.012 -12.522 1.00 65.32 H new ATOM 0 HB3 SER A 167 -36.777 37.087 -11.674 1.00 65.32 H new ATOM 0 HG SER A 167 -35.093 36.280 -10.293 1.00 32.12 H new