USER MOD reduce.3.24.130724 H: found=0, std=0, add=1141, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1137 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 50 THR OG1 : rot -61:sc= 0.437 USER MOD Set 1.2: A 101 THR OG1 : rot 31:sc= 1.12 USER MOD Set 1.3: A 103 GLN : amide:sc= 0.584 K(o=2.1,f=0.66) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= -0.0152 USER MOD Set 3.1: A 29 THR OG1 : rot -70:sc= 0.989 USER MOD Set 3.2: A 31 GLN : amide:sc= -0.0104 X(o=0.98,f=0.98) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= 1.36 (180deg=-0.301) USER MOD Single : A 3 HIS : no HE2:sc= 0.103 K(o=0.1,f=-0.45) USER MOD Single : A 4 THR OG1 : rot -87:sc= 0.0128 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.2) USER MOD Single : A 9 THR OG1 : rot 55:sc= 0.00365 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 96:sc= 1.38 USER MOD Single : A 48 TYR OH : rot 165:sc= 0 USER MOD Single : A 49 MET CE :methyl -160:sc= -0.0638 (180deg=-0.447) USER MOD Single : A 53 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.4) USER MOD Single : A 54 LYS NZ :NH3+ -110:sc= 1.26 (180deg=-0.456) USER MOD Single : A 55 SER OG : rot 180:sc= 0.141 USER MOD Single : A 57 GLN : amide:sc= 0.818 K(o=0.82,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 68:sc= 0.697 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.571 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 174:sc= 0 (180deg=-0.0246) USER MOD Single : A 93 THR OG1 : rot -29:sc= 0.976 USER MOD Single : A 108 HIS : no HE2:sc= 0.656 K(o=0.66,f=-3.5!) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 30:sc= 0.876 USER MOD Single : A 125 ASN : amide:sc=-0.00872 X(o=-0.0087,f=0) USER MOD Single : A 127 THR OG1 : rot -160:sc= -0.054 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -25:sc= 0.728 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 141 THR OG1 : rot 91:sc= 0.709 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ -173:sc= 0.479 (180deg=0.454) USER MOD Single : A 145 ASN : amide:sc= -0.0638 K(o=-0.064,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.929 48.251 -12.027 1.00 67.71 N ATOM 2 CA MET A 1 -27.270 46.948 -12.232 1.00 67.41 C ATOM 3 C MET A 1 -26.597 46.501 -10.941 1.00 66.07 C ATOM 4 O MET A 1 -25.479 46.902 -10.639 1.00 65.40 O ATOM 5 CB MET A 1 -26.353 46.899 -13.473 1.00 67.86 C ATOM 6 CG MET A 1 -25.174 47.885 -13.542 1.00 68.15 C ATOM 7 SD MET A 1 -25.620 49.640 -13.622 1.00 69.08 S ATOM 8 CE MET A 1 -23.962 50.377 -13.613 1.00 69.04 C ATOM 0 H1 MET A 1 -28.829 48.270 -12.547 1.00 67.71 H new ATOM 0 H2 MET A 1 -28.112 48.392 -11.013 1.00 67.71 H new ATOM 0 H3 MET A 1 -27.311 49.011 -12.376 1.00 67.71 H new ATOM 0 HA MET A 1 -28.042 46.216 -12.472 1.00 67.41 H new ATOM 0 HB2 MET A 1 -25.948 45.890 -13.549 1.00 67.86 H new ATOM 0 HB3 MET A 1 -26.975 47.060 -14.354 1.00 67.86 H new ATOM 0 HG2 MET A 1 -24.542 47.729 -12.667 1.00 68.15 H new ATOM 0 HG3 MET A 1 -24.572 47.642 -14.417 1.00 68.15 H new ATOM 0 HE1 MET A 1 -24.046 51.463 -13.658 1.00 69.04 H new ATOM 0 HE2 MET A 1 -23.442 50.091 -12.699 1.00 69.04 H new ATOM 0 HE3 MET A 1 -23.401 50.021 -14.477 1.00 69.04 H new ATOM 20 N GLY A 2 -27.302 45.665 -10.175 1.00 65.76 N ATOM 21 CA GLY A 2 -26.880 45.195 -8.849 1.00 64.60 C ATOM 22 C GLY A 2 -28.064 44.972 -7.911 1.00 64.44 C ATOM 23 O GLY A 2 -29.059 45.695 -7.969 1.00 65.19 O ATOM 0 H GLY A 2 -28.204 45.286 -10.464 1.00 65.76 H new ATOM 0 HA2 GLY A 2 -26.323 44.264 -8.956 1.00 64.60 H new ATOM 0 HA3 GLY A 2 -26.201 45.924 -8.407 1.00 64.60 H new ATOM 27 N HIS A 3 -27.961 43.967 -7.050 1.00 63.52 N ATOM 28 CA HIS A 3 -28.895 43.701 -5.948 1.00 63.20 C ATOM 29 C HIS A 3 -28.112 43.681 -4.619 1.00 61.81 C ATOM 30 O HIS A 3 -26.959 43.250 -4.622 1.00 61.16 O ATOM 31 CB HIS A 3 -29.604 42.353 -6.186 1.00 63.64 C ATOM 32 CG HIS A 3 -30.440 42.243 -7.449 1.00 64.17 C ATOM 33 ND1 HIS A 3 -30.916 43.265 -8.243 1.00 64.54 N ATOM 34 CD2 HIS A 3 -30.886 41.072 -8.000 1.00 64.48 C ATOM 35 CE1 HIS A 3 -31.623 42.719 -9.247 1.00 65.06 C ATOM 36 NE2 HIS A 3 -31.636 41.374 -9.142 1.00 65.04 N ATOM 0 H HIS A 3 -27.201 43.288 -7.096 1.00 63.52 H new ATOM 0 HA HIS A 3 -29.652 44.484 -5.900 1.00 63.20 H new ATOM 0 HB2 HIS A 3 -28.848 41.568 -6.208 1.00 63.64 H new ATOM 0 HB3 HIS A 3 -30.249 42.151 -5.331 1.00 63.64 H new ATOM 0 HD1 HIS A 3 -30.759 44.262 -8.094 1.00 64.54 H new ATOM 0 HD2 HIS A 3 -30.692 40.081 -7.617 1.00 64.48 H new ATOM 0 HE1 HIS A 3 -32.113 43.279 -10.030 1.00 65.06 H new ATOM 44 N THR A 4 -28.729 44.148 -3.514 1.00 61.42 N ATOM 45 CA THR A 4 -28.103 44.374 -2.186 1.00 60.16 C ATOM 46 C THR A 4 -27.354 43.150 -1.648 1.00 59.15 C ATOM 47 O THR A 4 -26.128 43.192 -1.560 1.00 58.90 O ATOM 48 CB THR A 4 -29.099 45.013 -1.187 1.00 60.66 C ATOM 49 OG1 THR A 4 -28.622 44.885 0.132 1.00 60.13 O ATOM 50 CG2 THR A 4 -30.520 44.443 -1.231 1.00 61.45 C ATOM 0 H THR A 4 -29.720 44.390 -3.518 1.00 61.42 H new ATOM 0 HA THR A 4 -27.313 45.112 -2.326 1.00 60.16 H new ATOM 0 HB THR A 4 -29.163 46.055 -1.500 1.00 60.66 H new ATOM 0 HG1 THR A 4 -28.908 44.024 0.501 1.00 60.13 H new ATOM 0 HG21 THR A 4 -31.140 44.955 -0.496 1.00 61.45 H new ATOM 0 HG22 THR A 4 -30.940 44.590 -2.226 1.00 61.45 H new ATOM 0 HG23 THR A 4 -30.492 43.377 -1.003 1.00 61.45 H new ATOM 58 N MET A 5 -28.043 42.041 -1.368 1.00 58.61 N ATOM 59 CA MET A 5 -27.394 40.767 -1.043 1.00 57.61 C ATOM 60 C MET A 5 -26.809 40.156 -2.331 1.00 56.43 C ATOM 61 O MET A 5 -27.598 39.767 -3.194 1.00 56.63 O ATOM 62 CB MET A 5 -28.404 39.785 -0.414 1.00 58.05 C ATOM 63 CG MET A 5 -28.865 40.133 1.009 1.00 57.94 C ATOM 64 SD MET A 5 -29.949 41.577 1.164 1.00 58.48 S ATOM 65 CE MET A 5 -30.573 41.293 2.840 1.00 58.72 C ATOM 0 H MET A 5 -29.062 42.000 -1.360 1.00 58.61 H new ATOM 0 HA MET A 5 -26.597 40.949 -0.322 1.00 57.61 H new ATOM 0 HB2 MET A 5 -29.281 39.731 -1.059 1.00 58.05 H new ATOM 0 HB3 MET A 5 -27.957 38.791 -0.400 1.00 58.05 H new ATOM 0 HG2 MET A 5 -29.384 39.268 1.423 1.00 57.94 H new ATOM 0 HG3 MET A 5 -27.981 40.299 1.625 1.00 57.94 H new ATOM 0 HE1 MET A 5 -31.264 42.092 3.111 1.00 58.72 H new ATOM 0 HE2 MET A 5 -31.093 40.336 2.877 1.00 58.72 H new ATOM 0 HE3 MET A 5 -29.739 41.281 3.542 1.00 58.72 H new ATOM 75 N PRO A 6 -25.477 39.992 -2.478 1.00 55.29 N ATOM 76 CA PRO A 6 -24.894 39.371 -3.670 1.00 54.17 C ATOM 77 C PRO A 6 -25.005 37.835 -3.627 1.00 53.52 C ATOM 78 O PRO A 6 -25.046 37.212 -4.685 1.00 53.73 O ATOM 79 CB PRO A 6 -23.432 39.832 -3.672 1.00 53.41 C ATOM 80 CG PRO A 6 -23.099 39.957 -2.184 1.00 53.74 C ATOM 81 CD PRO A 6 -24.419 40.428 -1.569 1.00 55.10 C ATOM 0 HA PRO A 6 -25.418 39.666 -4.579 1.00 54.17 H new ATOM 0 HB2 PRO A 6 -22.784 39.111 -4.170 1.00 53.41 H new ATOM 0 HB3 PRO A 6 -23.311 40.782 -4.192 1.00 53.41 H new ATOM 0 HG2 PRO A 6 -22.775 39.005 -1.762 1.00 53.74 H new ATOM 0 HG3 PRO A 6 -22.296 40.673 -2.010 1.00 53.74 H new ATOM 0 HD2 PRO A 6 -24.559 40.000 -0.576 1.00 55.10 H new ATOM 0 HD3 PRO A 6 -24.429 41.512 -1.453 1.00 55.10 H new ATOM 89 N ALA A 7 -25.044 37.253 -2.417 1.00 52.76 N ATOM 90 CA ALA A 7 -25.063 35.815 -2.106 1.00 52.04 C ATOM 91 C ALA A 7 -23.774 35.064 -2.499 1.00 50.57 C ATOM 92 O ALA A 7 -23.019 35.458 -3.389 1.00 50.22 O ATOM 93 CB ALA A 7 -26.313 35.149 -2.707 1.00 52.77 C ATOM 0 H ALA A 7 -25.065 37.818 -1.568 1.00 52.76 H new ATOM 0 HA ALA A 7 -25.109 35.742 -1.019 1.00 52.04 H new ATOM 0 HB1 ALA A 7 -26.310 34.086 -2.467 1.00 52.77 H new ATOM 0 HB2 ALA A 7 -27.208 35.612 -2.291 1.00 52.77 H new ATOM 0 HB3 ALA A 7 -26.308 35.276 -3.790 1.00 52.77 H new ATOM 99 N HIS A 8 -23.528 33.923 -1.855 1.00 49.77 N ATOM 100 CA HIS A 8 -22.522 32.963 -2.299 1.00 48.46 C ATOM 101 C HIS A 8 -23.221 31.722 -2.870 1.00 48.20 C ATOM 102 O HIS A 8 -23.671 30.846 -2.131 1.00 48.74 O ATOM 103 CB HIS A 8 -21.535 32.664 -1.151 1.00 48.03 C ATOM 104 CG HIS A 8 -20.152 33.264 -1.341 1.00 46.97 C ATOM 105 ND1 HIS A 8 -18.995 32.788 -0.769 1.00 46.44 N ATOM 106 CD2 HIS A 8 -19.791 34.329 -2.129 1.00 46.51 C ATOM 107 CE1 HIS A 8 -17.965 33.527 -1.220 1.00 45.66 C ATOM 108 NE2 HIS A 8 -18.403 34.480 -2.068 1.00 45.68 N ATOM 0 H HIS A 8 -24.023 33.640 -1.009 1.00 49.77 H new ATOM 0 HA HIS A 8 -21.918 33.375 -3.107 1.00 48.46 H new ATOM 0 HB2 HIS A 8 -21.956 33.040 -0.219 1.00 48.03 H new ATOM 0 HB3 HIS A 8 -21.438 31.584 -1.044 1.00 48.03 H new ATOM 0 HD2 HIS A 8 -20.467 34.947 -2.701 1.00 46.51 H new ATOM 0 HE1 HIS A 8 -16.932 33.378 -0.942 1.00 45.66 H new ATOM 0 HE2 HIS A 8 -17.837 35.169 -2.563 1.00 45.68 H new ATOM 116 N THR A 9 -23.321 31.657 -4.205 1.00 47.46 N ATOM 117 CA THR A 9 -23.895 30.537 -4.972 1.00 47.15 C ATOM 118 C THR A 9 -22.814 29.931 -5.886 1.00 45.89 C ATOM 119 O THR A 9 -22.876 30.107 -7.103 1.00 46.00 O ATOM 120 CB THR A 9 -25.148 31.001 -5.744 1.00 47.78 C ATOM 121 OG1 THR A 9 -24.910 32.217 -6.426 1.00 47.17 O ATOM 122 CG2 THR A 9 -26.329 31.237 -4.801 1.00 48.15 C ATOM 0 H THR A 9 -22.992 32.412 -4.806 1.00 47.46 H new ATOM 0 HA THR A 9 -24.225 29.749 -4.295 1.00 47.15 H new ATOM 0 HB THR A 9 -25.380 30.205 -6.452 1.00 47.78 H new ATOM 0 HG1 THR A 9 -24.124 32.120 -7.003 1.00 47.17 H new ATOM 0 HG21 THR A 9 -27.195 31.563 -5.377 1.00 48.15 H new ATOM 0 HG22 THR A 9 -26.568 30.311 -4.279 1.00 48.15 H new ATOM 0 HG23 THR A 9 -26.066 32.006 -4.074 1.00 48.15 H new ATOM 130 N PRO A 10 -21.764 29.278 -5.332 1.00 44.77 N ATOM 131 CA PRO A 10 -20.602 28.840 -6.101 1.00 43.50 C ATOM 132 C PRO A 10 -20.826 27.482 -6.790 1.00 43.18 C ATOM 133 O PRO A 10 -21.531 26.628 -6.240 1.00 43.62 O ATOM 134 CB PRO A 10 -19.467 28.736 -5.078 1.00 42.59 C ATOM 135 CG PRO A 10 -20.198 28.280 -3.814 1.00 43.30 C ATOM 136 CD PRO A 10 -21.525 29.034 -3.909 1.00 44.72 C ATOM 0 HA PRO A 10 -20.386 29.542 -6.907 1.00 43.50 H new ATOM 0 HB2 PRO A 10 -18.707 28.019 -5.388 1.00 42.59 H new ATOM 0 HB3 PRO A 10 -18.963 29.692 -4.933 1.00 42.59 H new ATOM 0 HG2 PRO A 10 -20.345 27.200 -3.798 1.00 43.30 H new ATOM 0 HG3 PRO A 10 -19.647 28.540 -2.910 1.00 43.30 H new ATOM 0 HD2 PRO A 10 -22.335 28.449 -3.474 1.00 44.72 H new ATOM 0 HD3 PRO A 10 -21.478 29.973 -3.357 1.00 44.72 H new ATOM 144 N PRO A 11 -20.173 27.245 -7.945 1.00 42.49 N ATOM 145 CA PRO A 11 -19.954 25.918 -8.503 1.00 42.00 C ATOM 146 C PRO A 11 -18.679 25.289 -7.917 1.00 40.53 C ATOM 147 O PRO A 11 -17.771 25.983 -7.457 1.00 39.82 O ATOM 148 CB PRO A 11 -19.813 26.158 -10.008 1.00 42.05 C ATOM 149 CG PRO A 11 -19.085 27.502 -10.065 1.00 41.68 C ATOM 150 CD PRO A 11 -19.611 28.254 -8.838 1.00 42.31 C ATOM 0 HA PRO A 11 -20.764 25.226 -8.273 1.00 42.00 H new ATOM 0 HB2 PRO A 11 -19.241 25.367 -10.493 1.00 42.05 H new ATOM 0 HB3 PRO A 11 -20.783 26.201 -10.504 1.00 42.05 H new ATOM 0 HG2 PRO A 11 -18.003 27.373 -10.022 1.00 41.68 H new ATOM 0 HG3 PRO A 11 -19.306 28.038 -10.988 1.00 41.68 H new ATOM 0 HD2 PRO A 11 -18.809 28.804 -8.346 1.00 42.31 H new ATOM 0 HD3 PRO A 11 -20.368 28.984 -9.125 1.00 42.31 H new ATOM 158 N ALA A 12 -18.586 23.960 -8.001 1.00 40.16 N ATOM 159 CA ALA A 12 -17.391 23.174 -7.674 1.00 38.86 C ATOM 160 C ALA A 12 -17.082 22.211 -8.834 1.00 38.27 C ATOM 161 O ALA A 12 -17.996 21.624 -9.407 1.00 39.05 O ATOM 162 CB ALA A 12 -17.642 22.407 -6.369 1.00 39.17 C ATOM 0 H ALA A 12 -19.367 23.380 -8.309 1.00 40.16 H new ATOM 0 HA ALA A 12 -16.530 23.828 -7.534 1.00 38.86 H new ATOM 0 HB1 ALA A 12 -16.759 21.819 -6.117 1.00 39.17 H new ATOM 0 HB2 ALA A 12 -17.849 23.114 -5.566 1.00 39.17 H new ATOM 0 HB3 ALA A 12 -18.496 21.742 -6.496 1.00 39.17 H new ATOM 168 N GLN A 13 -15.804 22.050 -9.185 1.00 36.99 N ATOM 169 CA GLN A 13 -15.334 21.209 -10.304 1.00 36.35 C ATOM 170 C GLN A 13 -13.944 20.619 -9.990 1.00 34.90 C ATOM 171 O GLN A 13 -13.271 21.080 -9.070 1.00 34.53 O ATOM 172 CB GLN A 13 -15.310 22.021 -11.623 1.00 36.53 C ATOM 173 CG GLN A 13 -16.682 22.595 -12.048 1.00 37.26 C ATOM 174 CD GLN A 13 -16.685 23.202 -13.455 1.00 37.98 C ATOM 175 OE1 GLN A 13 -16.424 24.382 -13.676 1.00 37.65 O ATOM 176 NE2 GLN A 13 -16.968 22.435 -14.493 1.00 39.12 N ATOM 0 H GLN A 13 -15.041 22.511 -8.689 1.00 36.99 H new ATOM 0 HA GLN A 13 -16.031 20.381 -10.432 1.00 36.35 H new ATOM 0 HB2 GLN A 13 -14.604 22.844 -11.515 1.00 36.53 H new ATOM 0 HB3 GLN A 13 -14.935 21.381 -12.422 1.00 36.53 H new ATOM 0 HG2 GLN A 13 -17.428 21.802 -12.002 1.00 37.26 H new ATOM 0 HG3 GLN A 13 -16.984 23.359 -11.331 1.00 37.26 H new ATOM 0 HE21 GLN A 13 -17.190 21.449 -14.353 1.00 39.12 H new ATOM 0 HE22 GLN A 13 -16.964 22.829 -15.434 1.00 39.12 H new ATOM 185 N THR A 14 -13.492 19.610 -10.746 1.00 34.18 N ATOM 186 CA THR A 14 -12.151 18.990 -10.640 1.00 32.85 C ATOM 187 C THR A 14 -11.227 19.515 -11.744 1.00 31.57 C ATOM 188 O THR A 14 -11.725 19.925 -12.790 1.00 31.82 O ATOM 189 CB THR A 14 -12.293 17.458 -10.674 1.00 33.42 C ATOM 190 OG1 THR A 14 -11.054 16.849 -10.392 1.00 32.94 O ATOM 191 CG2 THR A 14 -12.821 16.910 -12.005 1.00 33.79 C ATOM 0 H THR A 14 -14.064 19.183 -11.475 1.00 34.18 H new ATOM 0 HA THR A 14 -11.691 19.263 -9.690 1.00 32.85 H new ATOM 0 HB THR A 14 -13.033 17.215 -9.912 1.00 33.42 H new ATOM 0 HG1 THR A 14 -11.156 15.875 -10.414 1.00 32.94 H new ATOM 0 HG21 THR A 14 -12.892 15.824 -11.949 1.00 33.79 H new ATOM 0 HG22 THR A 14 -13.807 17.329 -12.205 1.00 33.79 H new ATOM 0 HG23 THR A 14 -12.139 17.187 -12.809 1.00 33.79 H new ATOM 199 N ALA A 15 -9.907 19.505 -11.533 1.00 30.34 N ATOM 200 CA ALA A 15 -8.923 20.034 -12.493 1.00 29.11 C ATOM 201 C ALA A 15 -7.500 19.471 -12.264 1.00 27.89 C ATOM 202 O ALA A 15 -7.151 19.173 -11.119 1.00 27.51 O ATOM 203 CB ALA A 15 -8.932 21.572 -12.413 1.00 28.71 C ATOM 0 H ALA A 15 -9.484 19.127 -10.685 1.00 30.34 H new ATOM 0 HA ALA A 15 -9.212 19.710 -13.493 1.00 29.11 H new ATOM 0 HB1 ALA A 15 -8.207 21.977 -13.119 1.00 28.71 H new ATOM 0 HB2 ALA A 15 -9.927 21.943 -12.660 1.00 28.71 H new ATOM 0 HB3 ALA A 15 -8.668 21.885 -11.403 1.00 28.71 H new ATOM 209 N PRO A 16 -6.646 19.372 -13.309 1.00 27.45 N ATOM 210 CA PRO A 16 -5.294 18.807 -13.231 1.00 26.50 C ATOM 211 C PRO A 16 -4.260 19.789 -12.633 1.00 24.86 C ATOM 212 O PRO A 16 -3.144 19.927 -13.134 1.00 24.98 O ATOM 213 CB PRO A 16 -4.973 18.375 -14.671 1.00 27.08 C ATOM 214 CG PRO A 16 -5.690 19.436 -15.502 1.00 27.49 C ATOM 215 CD PRO A 16 -6.972 19.669 -14.701 1.00 28.13 C ATOM 0 HA PRO A 16 -5.244 17.963 -12.543 1.00 26.50 H new ATOM 0 HB2 PRO A 16 -3.900 18.366 -14.862 1.00 27.08 H new ATOM 0 HB3 PRO A 16 -5.343 17.373 -14.886 1.00 27.08 H new ATOM 0 HG2 PRO A 16 -5.098 20.347 -15.596 1.00 27.49 H new ATOM 0 HG3 PRO A 16 -5.900 19.087 -16.513 1.00 27.49 H new ATOM 0 HD2 PRO A 16 -7.316 20.698 -14.809 1.00 28.13 H new ATOM 0 HD3 PRO A 16 -7.776 19.025 -15.058 1.00 28.13 H new ATOM 223 N ALA A 17 -4.616 20.459 -11.535 1.00 23.44 N ATOM 224 CA ALA A 17 -3.758 21.377 -10.779 1.00 21.90 C ATOM 225 C ALA A 17 -3.272 20.740 -9.457 1.00 20.78 C ATOM 226 O ALA A 17 -3.621 19.597 -9.147 1.00 21.07 O ATOM 227 CB ALA A 17 -4.563 22.665 -10.544 1.00 21.55 C ATOM 0 H ALA A 17 -5.549 20.374 -11.131 1.00 23.44 H new ATOM 0 HA ALA A 17 -2.852 21.605 -11.341 1.00 21.90 H new ATOM 0 HB1 ALA A 17 -3.957 23.376 -9.982 1.00 21.55 H new ATOM 0 HB2 ALA A 17 -4.839 23.102 -11.504 1.00 21.55 H new ATOM 0 HB3 ALA A 17 -5.465 22.432 -9.979 1.00 21.55 H new ATOM 233 N ALA A 18 -2.448 21.489 -8.714 1.00 19.76 N ATOM 234 CA ALA A 18 -1.856 21.229 -7.387 1.00 18.84 C ATOM 235 C ALA A 18 -0.803 22.318 -7.088 1.00 18.05 C ATOM 236 O ALA A 18 -0.324 22.957 -8.018 1.00 18.43 O ATOM 237 CB ALA A 18 -1.233 19.825 -7.292 1.00 19.50 C ATOM 0 H ALA A 18 -2.143 22.397 -9.065 1.00 19.76 H new ATOM 0 HA ALA A 18 -2.650 21.265 -6.641 1.00 18.84 H new ATOM 0 HB1 ALA A 18 -0.811 19.681 -6.298 1.00 19.50 H new ATOM 0 HB2 ALA A 18 -2.001 19.073 -7.472 1.00 19.50 H new ATOM 0 HB3 ALA A 18 -0.445 19.725 -8.039 1.00 19.50 H new ATOM 243 N GLN A 19 -0.417 22.506 -5.821 1.00 17.27 N ATOM 244 CA GLN A 19 0.648 23.424 -5.374 1.00 16.91 C ATOM 245 C GLN A 19 1.021 23.109 -3.916 1.00 16.50 C ATOM 246 O GLN A 19 2.127 22.643 -3.662 1.00 17.17 O ATOM 247 CB GLN A 19 0.247 24.913 -5.568 1.00 16.83 C ATOM 248 CG GLN A 19 1.011 25.597 -6.718 1.00 17.21 C ATOM 249 CD GLN A 19 0.634 27.073 -6.886 1.00 17.26 C ATOM 250 OE1 GLN A 19 -0.114 27.461 -7.765 1.00 17.06 O ATOM 251 NE2 GLN A 19 1.137 27.946 -6.039 1.00 17.82 N ATOM 0 H GLN A 19 -0.852 22.006 -5.046 1.00 17.27 H new ATOM 0 HA GLN A 19 1.529 23.267 -5.996 1.00 16.91 H new ATOM 0 HB2 GLN A 19 -0.824 24.973 -5.764 1.00 16.83 H new ATOM 0 HB3 GLN A 19 0.432 25.457 -4.642 1.00 16.83 H new ATOM 0 HG2 GLN A 19 2.082 25.519 -6.533 1.00 17.21 H new ATOM 0 HG3 GLN A 19 0.809 25.067 -7.649 1.00 17.21 H new ATOM 0 HE21 GLN A 19 1.765 27.634 -5.298 1.00 17.82 H new ATOM 0 HE22 GLN A 19 0.899 28.934 -6.124 1.00 17.82 H new ATOM 260 N LYS A 20 0.097 23.281 -2.959 1.00 15.66 N ATOM 261 CA LYS A 20 0.229 22.699 -1.610 1.00 15.51 C ATOM 262 C LYS A 20 0.179 21.153 -1.635 1.00 15.46 C ATOM 263 O LYS A 20 -0.260 20.541 -2.612 1.00 15.32 O ATOM 264 CB LYS A 20 -0.873 23.286 -0.693 1.00 15.09 C ATOM 265 CG LYS A 20 -0.378 24.350 0.299 1.00 15.50 C ATOM 266 CD LYS A 20 0.456 23.764 1.454 1.00 16.76 C ATOM 267 CE LYS A 20 0.577 24.791 2.587 1.00 17.24 C ATOM 268 NZ LYS A 20 1.270 24.236 3.775 1.00 18.41 N ATOM 0 H LYS A 20 -0.757 23.822 -3.094 1.00 15.66 H new ATOM 0 HA LYS A 20 1.208 22.965 -1.212 1.00 15.51 H new ATOM 0 HB2 LYS A 20 -1.652 23.724 -1.317 1.00 15.09 H new ATOM 0 HB3 LYS A 20 -1.333 22.472 -0.133 1.00 15.09 H new ATOM 0 HG2 LYS A 20 0.222 25.085 -0.237 1.00 15.50 H new ATOM 0 HG3 LYS A 20 -1.237 24.879 0.712 1.00 15.50 H new ATOM 0 HD2 LYS A 20 -0.013 22.853 1.826 1.00 16.76 H new ATOM 0 HD3 LYS A 20 1.447 23.488 1.094 1.00 16.76 H new ATOM 0 HE2 LYS A 20 1.120 25.664 2.227 1.00 17.24 H new ATOM 0 HE3 LYS A 20 -0.418 25.131 2.875 1.00 17.24 H new ATOM 0 HZ1 LYS A 20 1.329 24.965 4.515 1.00 18.41 H new ATOM 0 HZ2 LYS A 20 0.739 23.418 4.136 1.00 18.41 H new ATOM 0 HZ3 LYS A 20 2.229 23.935 3.508 1.00 18.41 H new ATOM 282 N ALA A 21 0.579 20.515 -0.527 1.00 15.83 N ATOM 283 CA ALA A 21 0.429 19.070 -0.330 1.00 16.04 C ATOM 284 C ALA A 21 -1.047 18.640 -0.246 1.00 15.03 C ATOM 285 O ALA A 21 -1.951 19.466 -0.098 1.00 14.24 O ATOM 286 CB ALA A 21 1.228 18.657 0.916 1.00 17.13 C ATOM 0 H ALA A 21 1.018 20.991 0.261 1.00 15.83 H new ATOM 0 HA ALA A 21 0.829 18.549 -1.200 1.00 16.04 H new ATOM 0 HB1 ALA A 21 1.125 17.584 1.075 1.00 17.13 H new ATOM 0 HB2 ALA A 21 2.280 18.904 0.772 1.00 17.13 H new ATOM 0 HB3 ALA A 21 0.846 19.191 1.786 1.00 17.13 H new ATOM 292 N GLY A 22 -1.300 17.329 -0.369 1.00 15.19 N ATOM 293 CA GLY A 22 -2.643 16.745 -0.467 1.00 14.37 C ATOM 294 C GLY A 22 -3.172 16.812 -1.901 1.00 13.26 C ATOM 295 O GLY A 22 -3.010 15.848 -2.642 1.00 13.57 O ATOM 0 H GLY A 22 -0.558 16.630 -0.404 1.00 15.19 H new ATOM 0 HA2 GLY A 22 -2.616 15.707 -0.135 1.00 14.37 H new ATOM 0 HA3 GLY A 22 -3.323 17.276 0.199 1.00 14.37 H new ATOM 299 N ALA A 23 -3.771 17.961 -2.236 1.00 12.33 N ATOM 300 CA ALA A 23 -4.425 18.348 -3.498 1.00 11.48 C ATOM 301 C ALA A 23 -5.899 17.880 -3.590 1.00 10.32 C ATOM 302 O ALA A 23 -6.285 16.848 -3.044 1.00 10.49 O ATOM 303 CB ALA A 23 -3.608 17.924 -4.732 1.00 12.24 C ATOM 0 H ALA A 23 -3.816 18.724 -1.561 1.00 12.33 H new ATOM 0 HA ALA A 23 -4.455 19.438 -3.492 1.00 11.48 H new ATOM 0 HB1 ALA A 23 -4.131 18.231 -5.638 1.00 12.24 H new ATOM 0 HB2 ALA A 23 -2.628 18.399 -4.700 1.00 12.24 H new ATOM 0 HB3 ALA A 23 -3.486 16.841 -4.733 1.00 12.24 H new ATOM 309 N GLN A 24 -6.721 18.657 -4.302 1.00 9.58 N ATOM 310 CA GLN A 24 -8.140 18.360 -4.536 1.00 8.71 C ATOM 311 C GLN A 24 -8.311 17.280 -5.612 1.00 8.65 C ATOM 312 O GLN A 24 -7.947 17.495 -6.769 1.00 9.22 O ATOM 313 CB GLN A 24 -8.917 19.640 -4.931 1.00 8.40 C ATOM 314 CG GLN A 24 -9.714 20.278 -3.778 1.00 8.78 C ATOM 315 CD GLN A 24 -8.854 20.735 -2.609 1.00 9.96 C ATOM 316 OE1 GLN A 24 -7.854 21.427 -2.756 1.00 10.57 O ATOM 317 NE2 GLN A 24 -9.183 20.357 -1.389 1.00 10.78 N ATOM 0 H GLN A 24 -6.415 19.526 -4.740 1.00 9.58 H new ATOM 0 HA GLN A 24 -8.554 17.979 -3.602 1.00 8.71 H new ATOM 0 HB2 GLN A 24 -8.211 20.374 -5.319 1.00 8.40 H new ATOM 0 HB3 GLN A 24 -9.604 19.398 -5.742 1.00 8.40 H new ATOM 0 HG2 GLN A 24 -10.269 21.133 -4.163 1.00 8.78 H new ATOM 0 HG3 GLN A 24 -10.448 19.558 -3.416 1.00 8.78 H new ATOM 0 HE21 GLN A 24 -10.011 19.780 -1.240 1.00 10.78 H new ATOM 0 HE22 GLN A 24 -8.609 20.641 -0.595 1.00 10.78 H new ATOM 326 N ALA A 25 -8.955 16.170 -5.219 1.00 8.34 N ATOM 327 CA ALA A 25 -9.396 15.032 -6.038 1.00 8.28 C ATOM 328 C ALA A 25 -10.279 14.072 -5.200 1.00 7.51 C ATOM 329 O ALA A 25 -10.266 14.143 -3.968 1.00 8.34 O ATOM 330 CB ALA A 25 -8.168 14.304 -6.616 1.00 10.06 C ATOM 0 H ALA A 25 -9.201 16.035 -4.238 1.00 8.34 H new ATOM 0 HA ALA A 25 -10.002 15.397 -6.867 1.00 8.28 H new ATOM 0 HB1 ALA A 25 -8.497 13.461 -7.223 1.00 10.06 H new ATOM 0 HB2 ALA A 25 -7.594 14.994 -7.235 1.00 10.06 H new ATOM 0 HB3 ALA A 25 -7.543 13.942 -5.800 1.00 10.06 H new ATOM 336 N LEU A 26 -11.030 13.178 -5.854 1.00 6.41 N ATOM 337 CA LEU A 26 -11.836 12.131 -5.211 1.00 5.85 C ATOM 338 C LEU A 26 -11.330 10.758 -5.706 1.00 6.03 C ATOM 339 O LEU A 26 -11.745 10.308 -6.780 1.00 5.60 O ATOM 340 CB LEU A 26 -13.322 12.411 -5.537 1.00 4.90 C ATOM 341 CG LEU A 26 -14.359 11.675 -4.659 1.00 5.88 C ATOM 342 CD1 LEU A 26 -15.760 12.225 -4.973 1.00 6.54 C ATOM 343 CD2 LEU A 26 -14.372 10.150 -4.852 1.00 6.87 C ATOM 0 H LEU A 26 -11.096 13.162 -6.872 1.00 6.41 H new ATOM 0 HA LEU A 26 -11.741 12.126 -4.125 1.00 5.85 H new ATOM 0 HB2 LEU A 26 -13.497 13.483 -5.449 1.00 4.90 H new ATOM 0 HB3 LEU A 26 -13.502 12.143 -6.578 1.00 4.90 H new ATOM 0 HG LEU A 26 -14.072 11.857 -3.623 1.00 5.88 H new ATOM 0 HD11 LEU A 26 -16.499 11.711 -4.358 1.00 6.54 H new ATOM 0 HD12 LEU A 26 -15.788 13.293 -4.758 1.00 6.54 H new ATOM 0 HD13 LEU A 26 -15.988 12.061 -6.026 1.00 6.54 H new ATOM 0 HD21 LEU A 26 -15.126 9.707 -4.201 1.00 6.87 H new ATOM 0 HD22 LEU A 26 -14.607 9.917 -5.891 1.00 6.87 H new ATOM 0 HD23 LEU A 26 -13.392 9.743 -4.601 1.00 6.87 H new ATOM 355 N PRO A 27 -10.420 10.076 -4.983 1.00 7.39 N ATOM 356 CA PRO A 27 -9.719 8.901 -5.502 1.00 8.11 C ATOM 357 C PRO A 27 -10.575 7.625 -5.422 1.00 6.53 C ATOM 358 O PRO A 27 -10.312 6.738 -4.613 1.00 7.36 O ATOM 359 CB PRO A 27 -8.416 8.830 -4.697 1.00 10.44 C ATOM 360 CG PRO A 27 -8.826 9.396 -3.339 1.00 10.64 C ATOM 361 CD PRO A 27 -9.828 10.489 -3.717 1.00 9.07 C ATOM 0 HA PRO A 27 -9.507 8.984 -6.568 1.00 8.11 H new ATOM 0 HB2 PRO A 27 -8.047 7.808 -4.614 1.00 10.44 H new ATOM 0 HB3 PRO A 27 -7.623 9.419 -5.158 1.00 10.44 H new ATOM 0 HG2 PRO A 27 -9.278 8.635 -2.703 1.00 10.64 H new ATOM 0 HG3 PRO A 27 -7.973 9.800 -2.795 1.00 10.64 H new ATOM 0 HD2 PRO A 27 -10.592 10.600 -2.948 1.00 9.07 H new ATOM 0 HD3 PRO A 27 -9.332 11.455 -3.816 1.00 9.07 H new ATOM 369 N VAL A 28 -11.603 7.540 -6.276 1.00 4.63 N ATOM 370 CA VAL A 28 -12.614 6.456 -6.306 1.00 3.03 C ATOM 371 C VAL A 28 -11.996 5.040 -6.361 1.00 3.87 C ATOM 372 O VAL A 28 -11.606 4.524 -7.408 1.00 5.62 O ATOM 373 CB VAL A 28 -13.682 6.713 -7.401 1.00 2.36 C ATOM 374 CG1 VAL A 28 -13.148 6.767 -8.843 1.00 3.43 C ATOM 375 CG2 VAL A 28 -14.846 5.714 -7.281 1.00 2.90 C ATOM 0 H VAL A 28 -11.766 8.246 -6.994 1.00 4.63 H new ATOM 0 HA VAL A 28 -13.135 6.481 -5.349 1.00 3.03 H new ATOM 0 HB VAL A 28 -14.043 7.722 -7.203 1.00 2.36 H new ATOM 0 HG11 VAL A 28 -13.974 6.951 -9.530 1.00 3.43 H new ATOM 0 HG12 VAL A 28 -12.417 7.571 -8.930 1.00 3.43 H new ATOM 0 HG13 VAL A 28 -12.674 5.817 -9.091 1.00 3.43 H new ATOM 0 HG21 VAL A 28 -15.581 5.916 -8.060 1.00 2.90 H new ATOM 0 HG22 VAL A 28 -14.467 4.698 -7.394 1.00 2.90 H new ATOM 0 HG23 VAL A 28 -15.316 5.819 -6.303 1.00 2.90 H new ATOM 385 N THR A 29 -11.906 4.412 -5.181 1.00 3.25 N ATOM 386 CA THR A 29 -11.233 3.137 -4.871 1.00 4.21 C ATOM 387 C THR A 29 -11.840 2.576 -3.579 1.00 3.08 C ATOM 388 O THR A 29 -12.990 2.894 -3.284 1.00 2.75 O ATOM 389 CB THR A 29 -9.718 3.320 -4.738 1.00 5.65 C ATOM 390 OG1 THR A 29 -9.441 4.207 -3.694 1.00 6.31 O ATOM 391 CG2 THR A 29 -8.977 3.811 -5.967 1.00 7.54 C ATOM 0 H THR A 29 -12.337 4.813 -4.348 1.00 3.25 H new ATOM 0 HA THR A 29 -11.389 2.434 -5.689 1.00 4.21 H new ATOM 0 HB THR A 29 -9.354 2.309 -4.557 1.00 5.65 H new ATOM 0 HG1 THR A 29 -9.720 5.111 -3.950 1.00 6.31 H new ATOM 0 HG21 THR A 29 -7.914 3.898 -5.741 1.00 7.54 H new ATOM 0 HG22 THR A 29 -9.117 3.103 -6.784 1.00 7.54 H new ATOM 0 HG23 THR A 29 -9.366 4.786 -6.261 1.00 7.54 H new ATOM 399 N VAL A 30 -11.107 1.787 -2.778 1.00 3.89 N ATOM 400 CA VAL A 30 -11.512 1.405 -1.414 1.00 4.17 C ATOM 401 C VAL A 30 -10.295 1.530 -0.474 1.00 3.17 C ATOM 402 O VAL A 30 -9.756 0.545 0.029 1.00 4.16 O ATOM 403 CB VAL A 30 -12.215 0.015 -1.366 1.00 6.83 C ATOM 404 CG1 VAL A 30 -12.744 -0.330 0.041 1.00 8.07 C ATOM 405 CG2 VAL A 30 -13.428 -0.046 -2.312 1.00 8.06 C ATOM 0 H VAL A 30 -10.210 1.393 -3.060 1.00 3.89 H new ATOM 0 HA VAL A 30 -12.277 2.094 -1.057 1.00 4.17 H new ATOM 0 HB VAL A 30 -11.446 -0.696 -1.668 1.00 6.83 H new ATOM 0 HG11 VAL A 30 -13.225 -1.308 0.019 1.00 8.07 H new ATOM 0 HG12 VAL A 30 -11.914 -0.349 0.747 1.00 8.07 H new ATOM 0 HG13 VAL A 30 -13.468 0.423 0.352 1.00 8.07 H new ATOM 0 HG21 VAL A 30 -13.890 -1.031 -2.249 1.00 8.06 H new ATOM 0 HG22 VAL A 30 -14.154 0.714 -2.023 1.00 8.06 H new ATOM 0 HG23 VAL A 30 -13.101 0.136 -3.336 1.00 8.06 H new ATOM 415 N GLN A 31 -9.796 2.761 -0.288 1.00 2.04 N ATOM 416 CA GLN A 31 -8.621 3.016 0.550 1.00 1.68 C ATOM 417 C GLN A 31 -8.831 4.143 1.567 1.00 2.09 C ATOM 418 O GLN A 31 -9.393 5.190 1.249 1.00 3.61 O ATOM 419 CB GLN A 31 -7.383 3.276 -0.331 1.00 2.12 C ATOM 420 CG GLN A 31 -7.338 4.659 -1.012 1.00 2.77 C ATOM 421 CD GLN A 31 -6.293 4.715 -2.128 1.00 2.77 C ATOM 422 OE1 GLN A 31 -5.297 5.423 -2.074 1.00 3.27 O ATOM 423 NE2 GLN A 31 -6.463 3.952 -3.184 1.00 2.75 N ATOM 0 H GLN A 31 -10.193 3.600 -0.711 1.00 2.04 H new ATOM 0 HA GLN A 31 -8.454 2.116 1.141 1.00 1.68 H new ATOM 0 HB2 GLN A 31 -6.490 3.163 0.283 1.00 2.12 H new ATOM 0 HB3 GLN A 31 -7.339 2.508 -1.103 1.00 2.12 H new ATOM 0 HG2 GLN A 31 -8.320 4.893 -1.423 1.00 2.77 H new ATOM 0 HG3 GLN A 31 -7.114 5.423 -0.267 1.00 2.77 H new ATOM 0 HE21 GLN A 31 -7.285 3.352 -3.253 1.00 2.75 H new ATOM 0 HE22 GLN A 31 -5.773 3.959 -3.935 1.00 2.75 H new ATOM 432 N GLY A 32 -8.276 3.930 2.765 1.00 1.65 N ATOM 433 CA GLY A 32 -7.899 4.973 3.735 1.00 1.73 C ATOM 434 C GLY A 32 -6.399 4.925 4.058 1.00 1.62 C ATOM 435 O GLY A 32 -5.995 5.285 5.165 1.00 2.15 O ATOM 0 H GLY A 32 -8.067 2.990 3.102 1.00 1.65 H new ATOM 0 HA2 GLY A 32 -8.155 5.954 3.334 1.00 1.73 H new ATOM 0 HA3 GLY A 32 -8.474 4.844 4.652 1.00 1.73 H new ATOM 439 N ALA A 33 -5.617 4.390 3.100 1.00 1.35 N ATOM 440 CA ALA A 33 -4.180 4.079 3.129 1.00 1.46 C ATOM 441 C ALA A 33 -3.748 3.367 4.429 1.00 1.27 C ATOM 442 O ALA A 33 -3.403 4.027 5.405 1.00 1.36 O ATOM 443 CB ALA A 33 -3.396 5.369 2.841 1.00 1.91 C ATOM 0 H ALA A 33 -6.020 4.141 2.197 1.00 1.35 H new ATOM 0 HA ALA A 33 -3.950 3.354 2.348 1.00 1.46 H new ATOM 0 HB1 ALA A 33 -2.327 5.157 2.859 1.00 1.91 H new ATOM 0 HB2 ALA A 33 -3.674 5.752 1.859 1.00 1.91 H new ATOM 0 HB3 ALA A 33 -3.630 6.115 3.601 1.00 1.91 H new ATOM 449 N THR A 34 -3.804 2.029 4.462 1.00 1.26 N ATOM 450 CA THR A 34 -3.927 1.266 5.715 1.00 1.18 C ATOM 451 C THR A 34 -2.632 0.552 6.094 1.00 1.17 C ATOM 452 O THR A 34 -2.075 -0.150 5.258 1.00 1.44 O ATOM 453 CB THR A 34 -5.046 0.235 5.596 1.00 1.40 C ATOM 454 OG1 THR A 34 -6.111 0.754 4.826 1.00 1.83 O ATOM 455 CG2 THR A 34 -5.599 -0.148 6.963 1.00 1.47 C ATOM 0 H THR A 34 -3.766 1.446 3.626 1.00 1.26 H new ATOM 0 HA THR A 34 -4.156 1.987 6.500 1.00 1.18 H new ATOM 0 HB THR A 34 -4.619 -0.646 5.117 1.00 1.40 H new ATOM 0 HG1 THR A 34 -6.821 0.083 4.756 1.00 1.83 H new ATOM 0 HG21 THR A 34 -6.394 -0.884 6.841 1.00 1.47 H new ATOM 0 HG22 THR A 34 -4.801 -0.573 7.572 1.00 1.47 H new ATOM 0 HG23 THR A 34 -5.998 0.739 7.456 1.00 1.47 H new ATOM 463 N VAL A 35 -2.197 0.648 7.351 1.00 0.91 N ATOM 464 CA VAL A 35 -1.027 -0.065 7.912 1.00 0.88 C ATOM 465 C VAL A 35 -1.443 -1.168 8.907 1.00 0.89 C ATOM 466 O VAL A 35 -2.456 -1.069 9.603 1.00 0.89 O ATOM 467 CB VAL A 35 -0.041 0.923 8.579 1.00 0.93 C ATOM 468 CG1 VAL A 35 1.239 0.270 9.135 1.00 0.94 C ATOM 469 CG2 VAL A 35 0.388 2.026 7.590 1.00 1.11 C ATOM 0 H VAL A 35 -2.659 1.243 8.038 1.00 0.91 H new ATOM 0 HA VAL A 35 -0.521 -0.550 7.077 1.00 0.88 H new ATOM 0 HB VAL A 35 -0.599 1.334 9.421 1.00 0.93 H new ATOM 0 HG11 VAL A 35 1.872 1.035 9.584 1.00 0.94 H new ATOM 0 HG12 VAL A 35 0.972 -0.469 9.890 1.00 0.94 H new ATOM 0 HG13 VAL A 35 1.780 -0.219 8.324 1.00 0.94 H new ATOM 0 HG21 VAL A 35 1.081 2.708 8.083 1.00 1.11 H new ATOM 0 HG22 VAL A 35 0.877 1.572 6.728 1.00 1.11 H new ATOM 0 HG23 VAL A 35 -0.491 2.579 7.258 1.00 1.11 H new ATOM 479 N ALA A 36 -0.629 -2.225 8.965 1.00 0.97 N ATOM 480 CA ALA A 36 -0.782 -3.418 9.797 1.00 1.06 C ATOM 481 C ALA A 36 -0.129 -3.285 11.199 1.00 1.04 C ATOM 482 O ALA A 36 0.992 -3.749 11.400 1.00 1.57 O ATOM 483 CB ALA A 36 -0.201 -4.580 8.975 1.00 1.37 C ATOM 0 H ALA A 36 0.213 -2.271 8.391 1.00 0.97 H new ATOM 0 HA ALA A 36 -1.833 -3.587 10.030 1.00 1.06 H new ATOM 0 HB1 ALA A 36 -0.285 -5.506 9.544 1.00 1.37 H new ATOM 0 HB2 ALA A 36 -0.754 -4.677 8.040 1.00 1.37 H new ATOM 0 HB3 ALA A 36 0.849 -4.382 8.757 1.00 1.37 H new ATOM 489 N ALA A 37 -0.801 -2.663 12.182 1.00 0.90 N ATOM 490 CA ALA A 37 -0.310 -2.550 13.580 1.00 0.94 C ATOM 491 C ALA A 37 0.246 -3.861 14.191 1.00 0.85 C ATOM 492 O ALA A 37 -0.380 -4.914 14.074 1.00 0.93 O ATOM 493 CB ALA A 37 -1.429 -2.032 14.498 1.00 1.19 C ATOM 0 H ALA A 37 -1.707 -2.219 12.035 1.00 0.90 H new ATOM 0 HA ALA A 37 0.525 -1.852 13.520 1.00 0.94 H new ATOM 0 HB1 ALA A 37 -1.055 -1.954 15.519 1.00 1.19 H new ATOM 0 HB2 ALA A 37 -1.756 -1.050 14.155 1.00 1.19 H new ATOM 0 HB3 ALA A 37 -2.271 -2.724 14.472 1.00 1.19 H new ATOM 499 N VAL A 38 1.365 -3.756 14.922 1.00 0.95 N ATOM 500 CA VAL A 38 2.149 -4.854 15.520 1.00 0.97 C ATOM 501 C VAL A 38 2.800 -4.394 16.845 1.00 1.12 C ATOM 502 O VAL A 38 3.091 -3.203 16.972 1.00 1.29 O ATOM 503 CB VAL A 38 3.300 -5.319 14.586 1.00 1.05 C ATOM 504 CG1 VAL A 38 2.772 -6.184 13.437 1.00 2.36 C ATOM 505 CG2 VAL A 38 4.150 -4.154 14.040 1.00 1.95 C ATOM 0 H VAL A 38 1.776 -2.845 15.126 1.00 0.95 H new ATOM 0 HA VAL A 38 1.451 -5.675 15.685 1.00 0.97 H new ATOM 0 HB VAL A 38 3.960 -5.925 15.207 1.00 1.05 H new ATOM 0 HG11 VAL A 38 3.603 -6.493 12.802 1.00 2.36 H new ATOM 0 HG12 VAL A 38 2.278 -7.067 13.843 1.00 2.36 H new ATOM 0 HG13 VAL A 38 2.059 -5.609 12.847 1.00 2.36 H new ATOM 0 HG21 VAL A 38 4.936 -4.548 13.395 1.00 1.95 H new ATOM 0 HG22 VAL A 38 3.515 -3.478 13.467 1.00 1.95 H new ATOM 0 HG23 VAL A 38 4.601 -3.612 14.871 1.00 1.95 H new ATOM 515 N PRO A 39 3.084 -5.303 17.801 1.00 1.18 N ATOM 516 CA PRO A 39 3.870 -4.980 18.992 1.00 1.43 C ATOM 517 C PRO A 39 5.357 -4.802 18.613 1.00 1.64 C ATOM 518 O PRO A 39 5.863 -5.604 17.831 1.00 1.70 O ATOM 519 CB PRO A 39 3.655 -6.158 19.948 1.00 1.47 C ATOM 520 CG PRO A 39 3.417 -7.341 19.007 1.00 1.37 C ATOM 521 CD PRO A 39 2.702 -6.708 17.811 1.00 1.18 C ATOM 0 HA PRO A 39 3.565 -4.043 19.458 1.00 1.43 H new ATOM 0 HB2 PRO A 39 4.523 -6.321 20.586 1.00 1.47 H new ATOM 0 HB3 PRO A 39 2.803 -5.991 20.606 1.00 1.47 H new ATOM 0 HG2 PRO A 39 4.354 -7.813 18.711 1.00 1.37 H new ATOM 0 HG3 PRO A 39 2.807 -8.112 19.478 1.00 1.37 H new ATOM 0 HD2 PRO A 39 2.993 -7.196 16.881 1.00 1.18 H new ATOM 0 HD3 PRO A 39 1.621 -6.816 17.903 1.00 1.18 H new ATOM 529 N PRO A 40 6.078 -3.799 19.159 1.00 2.07 N ATOM 530 CA PRO A 40 7.367 -3.323 18.630 1.00 2.50 C ATOM 531 C PRO A 40 8.547 -4.304 18.718 1.00 2.51 C ATOM 532 O PRO A 40 9.536 -4.113 18.013 1.00 3.72 O ATOM 533 CB PRO A 40 7.676 -2.032 19.400 1.00 3.07 C ATOM 534 CG PRO A 40 6.864 -2.160 20.686 1.00 2.99 C ATOM 535 CD PRO A 40 5.624 -2.917 20.223 1.00 2.41 C ATOM 0 HA PRO A 40 7.257 -3.182 17.555 1.00 2.50 H new ATOM 0 HB2 PRO A 40 8.742 -1.938 19.609 1.00 3.07 H new ATOM 0 HB3 PRO A 40 7.384 -1.149 18.831 1.00 3.07 H new ATOM 0 HG2 PRO A 40 7.408 -2.706 21.456 1.00 2.99 H new ATOM 0 HG3 PRO A 40 6.611 -1.186 21.104 1.00 2.99 H new ATOM 0 HD2 PRO A 40 5.183 -3.486 21.042 1.00 2.41 H new ATOM 0 HD3 PRO A 40 4.858 -2.231 19.863 1.00 2.41 H new ATOM 543 N SER A 41 8.448 -5.368 19.521 1.00 2.05 N ATOM 544 CA SER A 41 9.383 -6.506 19.458 1.00 2.19 C ATOM 545 C SER A 41 9.444 -7.097 18.037 1.00 2.13 C ATOM 546 O SER A 41 10.511 -7.464 17.538 1.00 2.23 O ATOM 547 CB SER A 41 8.934 -7.561 20.483 1.00 2.36 C ATOM 548 OG SER A 41 9.845 -8.631 20.581 1.00 2.85 O ATOM 0 H SER A 41 7.723 -5.469 20.231 1.00 2.05 H new ATOM 0 HA SER A 41 10.390 -6.168 19.700 1.00 2.19 H new ATOM 0 HB2 SER A 41 8.822 -7.091 21.460 1.00 2.36 H new ATOM 0 HB3 SER A 41 7.954 -7.945 20.200 1.00 2.36 H new ATOM 0 HG SER A 41 9.522 -9.276 21.244 1.00 2.85 H new ATOM 554 N ILE A 42 8.304 -7.106 17.332 1.00 2.09 N ATOM 555 CA ILE A 42 8.218 -7.425 15.907 1.00 2.01 C ATOM 556 C ILE A 42 8.447 -6.129 15.121 1.00 1.88 C ATOM 557 O ILE A 42 7.531 -5.330 14.937 1.00 2.36 O ATOM 558 CB ILE A 42 6.855 -8.074 15.559 1.00 2.04 C ATOM 559 CG1 ILE A 42 6.468 -9.253 16.483 1.00 2.36 C ATOM 560 CG2 ILE A 42 6.851 -8.522 14.085 1.00 2.05 C ATOM 561 CD1 ILE A 42 7.497 -10.388 16.571 1.00 2.82 C ATOM 0 H ILE A 42 7.399 -6.887 17.749 1.00 2.09 H new ATOM 0 HA ILE A 42 8.980 -8.156 15.638 1.00 2.01 H new ATOM 0 HB ILE A 42 6.097 -7.308 15.722 1.00 2.04 H new ATOM 0 HG12 ILE A 42 6.295 -8.864 17.486 1.00 2.36 H new ATOM 0 HG13 ILE A 42 5.523 -9.669 16.135 1.00 2.36 H new ATOM 0 HG21 ILE A 42 5.890 -8.978 13.846 1.00 2.05 H new ATOM 0 HG22 ILE A 42 7.013 -7.657 13.441 1.00 2.05 H new ATOM 0 HG23 ILE A 42 7.647 -9.249 13.923 1.00 2.05 H new ATOM 0 HD11 ILE A 42 7.128 -11.162 17.244 1.00 2.82 H new ATOM 0 HD12 ILE A 42 7.655 -10.813 15.580 1.00 2.82 H new ATOM 0 HD13 ILE A 42 8.440 -9.996 16.952 1.00 2.82 H new ATOM 573 N ARG A 43 9.676 -5.931 14.644 1.00 1.48 N ATOM 574 CA ARG A 43 10.048 -4.744 13.859 1.00 1.38 C ATOM 575 C ARG A 43 9.466 -4.712 12.431 1.00 1.16 C ATOM 576 O ARG A 43 9.617 -3.695 11.750 1.00 1.33 O ATOM 577 CB ARG A 43 11.570 -4.539 13.890 1.00 1.66 C ATOM 578 CG ARG A 43 12.408 -5.737 13.410 1.00 2.66 C ATOM 579 CD ARG A 43 13.894 -5.350 13.435 1.00 3.01 C ATOM 580 NE ARG A 43 14.788 -6.512 13.587 1.00 3.76 N ATOM 581 CZ ARG A 43 15.060 -7.143 14.726 1.00 4.08 C ATOM 582 NH1 ARG A 43 14.412 -6.877 15.845 1.00 4.27 N ATOM 583 NH2 ARG A 43 16.014 -8.051 14.768 1.00 4.89 N ATOM 0 H ARG A 43 10.444 -6.586 14.788 1.00 1.48 H new ATOM 0 HA ARG A 43 9.576 -3.890 14.346 1.00 1.38 H new ATOM 0 HB2 ARG A 43 11.816 -3.675 13.273 1.00 1.66 H new ATOM 0 HB3 ARG A 43 11.866 -4.296 14.911 1.00 1.66 H new ATOM 0 HG2 ARG A 43 12.233 -6.600 14.052 1.00 2.66 H new ATOM 0 HG3 ARG A 43 12.111 -6.024 12.401 1.00 2.66 H new ATOM 0 HD2 ARG A 43 14.143 -4.825 12.513 1.00 3.01 H new ATOM 0 HD3 ARG A 43 14.069 -4.654 14.255 1.00 3.01 H new ATOM 0 HE ARG A 43 15.239 -6.864 12.742 1.00 3.76 H new ATOM 0 HH11 ARG A 43 13.678 -6.169 15.853 1.00 4.27 H new ATOM 0 HH12 ARG A 43 14.646 -7.380 16.701 1.00 4.27 H new ATOM 0 HH21 ARG A 43 16.546 -8.271 13.926 1.00 4.89 H new ATOM 0 HH22 ARG A 43 16.221 -8.533 15.643 1.00 4.89 H new ATOM 597 N ASP A 44 8.803 -5.778 11.984 1.00 1.17 N ATOM 598 CA ASP A 44 8.213 -5.915 10.654 1.00 1.05 C ATOM 599 C ASP A 44 6.738 -5.490 10.678 1.00 0.81 C ATOM 600 O ASP A 44 5.995 -5.889 11.575 1.00 0.92 O ATOM 601 CB ASP A 44 8.329 -7.382 10.194 1.00 1.40 C ATOM 602 CG ASP A 44 9.716 -8.000 10.426 1.00 1.83 C ATOM 603 OD1 ASP A 44 10.732 -7.324 10.135 1.00 1.79 O ATOM 604 OD2 ASP A 44 9.748 -9.158 10.917 1.00 3.30 O ATOM 0 H ASP A 44 8.657 -6.604 12.564 1.00 1.17 H new ATOM 0 HA ASP A 44 8.748 -5.270 9.957 1.00 1.05 H new ATOM 0 HB2 ASP A 44 7.584 -7.978 10.721 1.00 1.40 H new ATOM 0 HB3 ASP A 44 8.090 -7.439 9.132 1.00 1.40 H new ATOM 609 N THR A 45 6.287 -4.741 9.671 1.00 0.70 N ATOM 610 CA THR A 45 4.873 -4.404 9.448 1.00 0.77 C ATOM 611 C THR A 45 4.604 -4.404 7.944 1.00 0.67 C ATOM 612 O THR A 45 5.412 -4.910 7.169 1.00 0.75 O ATOM 613 CB THR A 45 4.481 -3.143 10.249 1.00 0.99 C ATOM 614 OG1 THR A 45 3.118 -2.843 10.076 1.00 2.02 O ATOM 615 CG2 THR A 45 5.222 -1.864 9.878 1.00 1.92 C ATOM 0 H THR A 45 6.908 -4.340 8.968 1.00 0.70 H new ATOM 0 HA THR A 45 4.193 -5.155 9.850 1.00 0.77 H new ATOM 0 HB THR A 45 4.746 -3.416 11.271 1.00 0.99 H new ATOM 0 HG1 THR A 45 2.603 -3.218 10.821 1.00 2.02 H new ATOM 0 HG21 THR A 45 4.867 -1.044 10.502 1.00 1.92 H new ATOM 0 HG22 THR A 45 6.291 -2.004 10.036 1.00 1.92 H new ATOM 0 HG23 THR A 45 5.038 -1.628 8.830 1.00 1.92 H new ATOM 623 N ALA A 46 3.466 -3.890 7.492 1.00 1.21 N ATOM 624 CA ALA A 46 3.019 -3.931 6.099 1.00 1.24 C ATOM 625 C ALA A 46 1.907 -2.907 5.863 1.00 1.26 C ATOM 626 O ALA A 46 1.256 -2.477 6.818 1.00 1.39 O ATOM 627 CB ALA A 46 2.560 -5.360 5.758 1.00 1.33 C ATOM 0 H ALA A 46 2.803 -3.416 8.105 1.00 1.21 H new ATOM 0 HA ALA A 46 3.844 -3.666 5.438 1.00 1.24 H new ATOM 0 HB1 ALA A 46 2.226 -5.397 4.721 1.00 1.33 H new ATOM 0 HB2 ALA A 46 3.391 -6.052 5.896 1.00 1.33 H new ATOM 0 HB3 ALA A 46 1.738 -5.645 6.415 1.00 1.33 H new ATOM 633 N ALA A 47 1.664 -2.551 4.598 1.00 1.24 N ATOM 634 CA ALA A 47 0.519 -1.734 4.203 1.00 1.19 C ATOM 635 C ALA A 47 -0.438 -2.503 3.272 1.00 0.96 C ATOM 636 O ALA A 47 -0.036 -3.216 2.351 1.00 1.08 O ATOM 637 CB ALA A 47 0.978 -0.384 3.636 1.00 1.39 C ATOM 0 H ALA A 47 2.261 -2.824 3.817 1.00 1.24 H new ATOM 0 HA ALA A 47 -0.066 -1.508 5.094 1.00 1.19 H new ATOM 0 HB1 ALA A 47 0.107 0.205 3.349 1.00 1.39 H new ATOM 0 HB2 ALA A 47 1.547 0.154 4.394 1.00 1.39 H new ATOM 0 HB3 ALA A 47 1.606 -0.551 2.761 1.00 1.39 H new ATOM 643 N TYR A 48 -1.722 -2.358 3.577 1.00 0.82 N ATOM 644 CA TYR A 48 -2.856 -3.043 2.972 1.00 0.85 C ATOM 645 C TYR A 48 -3.693 -2.013 2.207 1.00 0.83 C ATOM 646 O TYR A 48 -3.910 -0.891 2.682 1.00 1.03 O ATOM 647 CB TYR A 48 -3.721 -3.681 4.076 1.00 1.31 C ATOM 648 CG TYR A 48 -3.210 -4.961 4.727 1.00 1.31 C ATOM 649 CD1 TYR A 48 -1.898 -5.072 5.229 1.00 2.72 C ATOM 650 CD2 TYR A 48 -4.097 -6.048 4.885 1.00 2.02 C ATOM 651 CE1 TYR A 48 -1.465 -6.260 5.841 1.00 3.35 C ATOM 652 CE2 TYR A 48 -3.675 -7.234 5.512 1.00 2.62 C ATOM 653 CZ TYR A 48 -2.353 -7.341 5.997 1.00 2.89 C ATOM 654 OH TYR A 48 -1.926 -8.476 6.606 1.00 3.83 O ATOM 0 H TYR A 48 -2.019 -1.711 4.307 1.00 0.82 H new ATOM 0 HA TYR A 48 -2.504 -3.822 2.296 1.00 0.85 H new ATOM 0 HB2 TYR A 48 -3.863 -2.939 4.862 1.00 1.31 H new ATOM 0 HB3 TYR A 48 -4.704 -3.889 3.653 1.00 1.31 H new ATOM 0 HD1 TYR A 48 -1.219 -4.236 5.142 1.00 2.72 H new ATOM 0 HD2 TYR A 48 -5.110 -5.968 4.520 1.00 2.02 H new ATOM 0 HE1 TYR A 48 -0.447 -6.344 6.193 1.00 3.35 H new ATOM 0 HE2 TYR A 48 -4.361 -8.061 5.622 1.00 2.62 H new ATOM 0 HH TYR A 48 -2.699 -9.029 6.847 1.00 3.83 H new ATOM 664 N MET A 49 -4.204 -2.384 1.030 1.00 0.87 N ATOM 665 CA MET A 49 -4.965 -1.473 0.171 1.00 1.15 C ATOM 666 C MET A 49 -5.826 -2.192 -0.871 1.00 1.12 C ATOM 667 O MET A 49 -5.411 -3.174 -1.498 1.00 1.18 O ATOM 668 CB MET A 49 -4.022 -0.438 -0.479 1.00 1.53 C ATOM 669 CG MET A 49 -4.307 0.976 0.044 1.00 2.23 C ATOM 670 SD MET A 49 -2.998 2.193 -0.244 1.00 3.52 S ATOM 671 CE MET A 49 -1.685 1.513 0.808 1.00 4.21 C ATOM 0 H MET A 49 -4.102 -3.323 0.646 1.00 0.87 H new ATOM 0 HA MET A 49 -5.673 -0.949 0.813 1.00 1.15 H new ATOM 0 HB2 MET A 49 -2.986 -0.704 -0.270 1.00 1.53 H new ATOM 0 HB3 MET A 49 -4.144 -0.460 -1.562 1.00 1.53 H new ATOM 0 HG2 MET A 49 -5.224 1.338 -0.420 1.00 2.23 H new ATOM 0 HG3 MET A 49 -4.494 0.917 1.116 1.00 2.23 H new ATOM 0 HE1 MET A 49 -0.957 2.293 1.032 1.00 4.21 H new ATOM 0 HE2 MET A 49 -2.118 1.144 1.738 1.00 4.21 H new ATOM 0 HE3 MET A 49 -1.190 0.693 0.288 1.00 4.21 H new ATOM 681 N THR A 50 -7.032 -1.655 -1.069 1.00 1.20 N ATOM 682 CA THR A 50 -8.040 -2.203 -1.980 1.00 1.31 C ATOM 683 C THR A 50 -8.428 -1.119 -2.967 1.00 1.50 C ATOM 684 O THR A 50 -8.760 0.002 -2.579 1.00 1.70 O ATOM 685 CB THR A 50 -9.247 -2.729 -1.190 1.00 1.44 C ATOM 686 OG1 THR A 50 -8.816 -3.405 -0.024 1.00 2.31 O ATOM 687 CG2 THR A 50 -10.095 -3.676 -2.036 1.00 1.78 C ATOM 0 H THR A 50 -7.342 -0.809 -0.590 1.00 1.20 H new ATOM 0 HA THR A 50 -7.637 -3.052 -2.532 1.00 1.31 H new ATOM 0 HB THR A 50 -9.856 -1.869 -0.912 1.00 1.44 H new ATOM 0 HG1 THR A 50 -8.260 -4.171 -0.277 1.00 2.31 H new ATOM 0 HG21 THR A 50 -10.941 -4.031 -1.448 1.00 1.78 H new ATOM 0 HG22 THR A 50 -10.461 -3.148 -2.917 1.00 1.78 H new ATOM 0 HG23 THR A 50 -9.489 -4.526 -2.349 1.00 1.78 H new ATOM 695 N LEU A 51 -8.347 -1.405 -4.268 1.00 1.80 N ATOM 696 CA LEU A 51 -8.555 -0.379 -5.284 1.00 2.10 C ATOM 697 C LEU A 51 -9.532 -0.876 -6.342 1.00 2.30 C ATOM 698 O LEU A 51 -9.203 -1.629 -7.258 1.00 2.74 O ATOM 699 CB LEU A 51 -7.217 0.162 -5.851 1.00 2.50 C ATOM 700 CG LEU A 51 -6.120 0.514 -4.810 1.00 4.10 C ATOM 701 CD1 LEU A 51 -5.216 -0.675 -4.439 1.00 6.05 C ATOM 702 CD2 LEU A 51 -5.198 1.623 -5.330 1.00 4.90 C ATOM 0 H LEU A 51 -8.140 -2.333 -4.638 1.00 1.80 H new ATOM 0 HA LEU A 51 -9.020 0.490 -4.819 1.00 2.10 H new ATOM 0 HB2 LEU A 51 -6.811 -0.581 -6.537 1.00 2.50 H new ATOM 0 HB3 LEU A 51 -7.431 1.055 -6.438 1.00 2.50 H new ATOM 0 HG LEU A 51 -6.674 0.831 -3.927 1.00 4.10 H new ATOM 0 HD11 LEU A 51 -4.474 -0.354 -3.708 1.00 6.05 H new ATOM 0 HD12 LEU A 51 -5.823 -1.474 -4.013 1.00 6.05 H new ATOM 0 HD13 LEU A 51 -4.710 -1.040 -5.333 1.00 6.05 H new ATOM 0 HD21 LEU A 51 -4.440 1.848 -4.579 1.00 4.90 H new ATOM 0 HD22 LEU A 51 -4.712 1.292 -6.248 1.00 4.90 H new ATOM 0 HD23 LEU A 51 -5.785 2.519 -5.533 1.00 4.90 H new ATOM 714 N THR A 52 -10.779 -0.414 -6.198 1.00 2.24 N ATOM 715 CA THR A 52 -11.877 -0.715 -7.102 1.00 2.48 C ATOM 716 C THR A 52 -12.791 0.487 -7.266 1.00 1.94 C ATOM 717 O THR A 52 -13.330 1.029 -6.305 1.00 2.35 O ATOM 718 CB THR A 52 -12.566 -2.002 -6.664 1.00 3.63 C ATOM 719 OG1 THR A 52 -13.444 -2.357 -7.694 1.00 3.91 O ATOM 720 CG2 THR A 52 -13.291 -1.987 -5.319 1.00 4.09 C ATOM 0 H THR A 52 -11.052 0.195 -5.427 1.00 2.24 H new ATOM 0 HA THR A 52 -11.502 -0.908 -8.107 1.00 2.48 H new ATOM 0 HB THR A 52 -11.776 -2.732 -6.490 1.00 3.63 H new ATOM 0 HG1 THR A 52 -13.911 -3.185 -7.455 1.00 3.91 H new ATOM 0 HG21 THR A 52 -13.735 -2.965 -5.134 1.00 4.09 H new ATOM 0 HG22 THR A 52 -12.581 -1.754 -4.525 1.00 4.09 H new ATOM 0 HG23 THR A 52 -14.076 -1.230 -5.337 1.00 4.09 H new ATOM 728 N ASN A 53 -12.917 0.921 -8.516 1.00 1.60 N ATOM 729 CA ASN A 53 -13.686 2.069 -8.968 1.00 1.39 C ATOM 730 C ASN A 53 -15.093 1.613 -9.391 1.00 1.62 C ATOM 731 O ASN A 53 -15.232 0.731 -10.237 1.00 2.04 O ATOM 732 CB ASN A 53 -12.896 2.698 -10.133 1.00 1.47 C ATOM 733 CG ASN A 53 -13.691 3.685 -10.966 1.00 2.37 C ATOM 734 OD1 ASN A 53 -14.694 4.250 -10.549 1.00 3.72 O ATOM 735 ND2 ASN A 53 -13.309 3.827 -12.220 1.00 2.82 N ATOM 0 H ASN A 53 -12.452 0.446 -9.290 1.00 1.60 H new ATOM 0 HA ASN A 53 -13.825 2.810 -8.181 1.00 1.39 H new ATOM 0 HB2 ASN A 53 -12.019 3.204 -9.730 1.00 1.47 H new ATOM 0 HB3 ASN A 53 -12.534 1.901 -10.783 1.00 1.47 H new ATOM 0 HD21 ASN A 53 -13.851 4.413 -12.855 1.00 2.82 H new ATOM 0 HD22 ASN A 53 -12.471 3.351 -12.555 1.00 2.82 H new ATOM 742 N LYS A 54 -16.128 2.223 -8.810 1.00 1.81 N ATOM 743 CA LYS A 54 -17.556 1.924 -9.059 1.00 2.10 C ATOM 744 C LYS A 54 -18.155 2.735 -10.238 1.00 1.97 C ATOM 745 O LYS A 54 -19.337 3.064 -10.260 1.00 2.39 O ATOM 746 CB LYS A 54 -18.353 2.017 -7.722 1.00 2.62 C ATOM 747 CG LYS A 54 -17.850 3.018 -6.658 1.00 3.53 C ATOM 748 CD LYS A 54 -17.007 2.321 -5.570 1.00 4.64 C ATOM 749 CE LYS A 54 -16.205 3.329 -4.735 1.00 6.47 C ATOM 750 NZ LYS A 54 -15.710 2.746 -3.466 1.00 7.55 N ATOM 0 H LYS A 54 -15.999 2.968 -8.126 1.00 1.81 H new ATOM 0 HA LYS A 54 -17.645 0.895 -9.407 1.00 2.10 H new ATOM 0 HB2 LYS A 54 -19.385 2.273 -7.963 1.00 2.62 H new ATOM 0 HB3 LYS A 54 -18.368 1.025 -7.270 1.00 2.62 H new ATOM 0 HG2 LYS A 54 -17.253 3.792 -7.140 1.00 3.53 H new ATOM 0 HG3 LYS A 54 -18.702 3.515 -6.195 1.00 3.53 H new ATOM 0 HD2 LYS A 54 -17.662 1.747 -4.915 1.00 4.64 H new ATOM 0 HD3 LYS A 54 -16.324 1.612 -6.038 1.00 4.64 H new ATOM 0 HE2 LYS A 54 -15.359 3.689 -5.320 1.00 6.47 H new ATOM 0 HE3 LYS A 54 -16.831 4.193 -4.514 1.00 6.47 H new ATOM 0 HZ1 LYS A 54 -16.225 3.167 -2.666 1.00 7.55 H new ATOM 0 HZ2 LYS A 54 -15.863 1.717 -3.473 1.00 7.55 H new ATOM 0 HZ3 LYS A 54 -14.694 2.944 -3.366 1.00 7.55 H new ATOM 764 N SER A 55 -17.337 3.058 -11.236 1.00 1.61 N ATOM 765 CA SER A 55 -17.649 3.956 -12.358 1.00 1.59 C ATOM 766 C SER A 55 -16.576 3.813 -13.454 1.00 1.47 C ATOM 767 O SER A 55 -15.679 2.977 -13.356 1.00 2.02 O ATOM 768 CB SER A 55 -17.769 5.402 -11.834 1.00 1.94 C ATOM 769 OG SER A 55 -18.263 6.271 -12.829 1.00 2.37 O ATOM 0 H SER A 55 -16.389 2.685 -11.292 1.00 1.61 H new ATOM 0 HA SER A 55 -18.605 3.687 -12.808 1.00 1.59 H new ATOM 0 HB2 SER A 55 -18.432 5.423 -10.969 1.00 1.94 H new ATOM 0 HB3 SER A 55 -16.793 5.750 -11.497 1.00 1.94 H new ATOM 0 HG SER A 55 -18.329 7.179 -12.467 1.00 2.37 H new ATOM 775 N ASP A 56 -16.615 4.647 -14.493 1.00 1.40 N ATOM 776 CA ASP A 56 -15.669 4.681 -15.619 1.00 1.46 C ATOM 777 C ASP A 56 -14.831 5.978 -15.583 1.00 1.66 C ATOM 778 O ASP A 56 -14.622 6.660 -16.589 1.00 2.03 O ATOM 779 CB ASP A 56 -16.434 4.455 -16.943 1.00 1.80 C ATOM 780 CG ASP A 56 -15.537 4.013 -18.114 1.00 2.87 C ATOM 781 OD1 ASP A 56 -14.304 3.895 -17.916 1.00 3.95 O ATOM 782 OD2 ASP A 56 -16.090 3.788 -19.222 1.00 3.76 O ATOM 0 H ASP A 56 -17.343 5.356 -14.581 1.00 1.40 H new ATOM 0 HA ASP A 56 -14.947 3.868 -15.537 1.00 1.46 H new ATOM 0 HB2 ASP A 56 -17.203 3.700 -16.782 1.00 1.80 H new ATOM 0 HB3 ASP A 56 -16.945 5.378 -17.218 1.00 1.80 H new ATOM 787 N GLN A 57 -14.365 6.333 -14.377 1.00 1.73 N ATOM 788 CA GLN A 57 -13.537 7.514 -14.101 1.00 2.08 C ATOM 789 C GLN A 57 -12.380 7.201 -13.116 1.00 2.41 C ATOM 790 O GLN A 57 -12.389 7.711 -11.995 1.00 3.22 O ATOM 791 CB GLN A 57 -14.443 8.679 -13.632 1.00 2.69 C ATOM 792 CG GLN A 57 -15.266 8.423 -12.343 1.00 2.39 C ATOM 793 CD GLN A 57 -15.110 9.538 -11.304 1.00 2.97 C ATOM 794 OE1 GLN A 57 -16.010 10.318 -11.028 1.00 4.26 O ATOM 795 NE2 GLN A 57 -13.959 9.662 -10.673 1.00 3.19 N ATOM 0 H GLN A 57 -14.561 5.786 -13.539 1.00 1.73 H new ATOM 0 HA GLN A 57 -13.042 7.825 -15.021 1.00 2.08 H new ATOM 0 HB2 GLN A 57 -13.818 9.557 -13.472 1.00 2.69 H new ATOM 0 HB3 GLN A 57 -15.135 8.923 -14.439 1.00 2.69 H new ATOM 0 HG2 GLN A 57 -16.319 8.322 -12.605 1.00 2.39 H new ATOM 0 HG3 GLN A 57 -14.955 7.476 -11.902 1.00 2.39 H new ATOM 0 HE21 GLN A 57 -13.191 9.025 -10.883 1.00 3.19 H new ATOM 0 HE22 GLN A 57 -13.837 10.395 -9.974 1.00 3.19 H new ATOM 804 N PRO A 58 -11.401 6.347 -13.481 1.00 2.26 N ATOM 805 CA PRO A 58 -10.339 5.920 -12.570 1.00 2.81 C ATOM 806 C PRO A 58 -9.217 6.951 -12.431 1.00 2.46 C ATOM 807 O PRO A 58 -9.123 7.917 -13.189 1.00 2.63 O ATOM 808 CB PRO A 58 -9.775 4.641 -13.186 1.00 3.26 C ATOM 809 CG PRO A 58 -9.903 4.921 -14.684 1.00 2.86 C ATOM 810 CD PRO A 58 -11.238 5.672 -14.764 1.00 2.23 C ATOM 0 HA PRO A 58 -10.743 5.782 -11.567 1.00 2.81 H new ATOM 0 HB2 PRO A 58 -8.740 4.469 -12.891 1.00 3.26 H new ATOM 0 HB3 PRO A 58 -10.343 3.760 -12.886 1.00 3.26 H new ATOM 0 HG2 PRO A 58 -9.075 5.523 -15.057 1.00 2.86 H new ATOM 0 HG3 PRO A 58 -9.918 4.002 -15.270 1.00 2.86 H new ATOM 0 HD2 PRO A 58 -11.232 6.390 -15.584 1.00 2.23 H new ATOM 0 HD3 PRO A 58 -12.062 4.983 -14.949 1.00 2.23 H new ATOM 818 N ILE A 59 -8.299 6.678 -11.498 1.00 2.17 N ATOM 819 CA ILE A 59 -7.069 7.445 -11.266 1.00 1.89 C ATOM 820 C ILE A 59 -5.857 6.667 -11.819 1.00 1.68 C ATOM 821 O ILE A 59 -5.856 5.431 -11.827 1.00 2.00 O ATOM 822 CB ILE A 59 -6.953 7.731 -9.748 1.00 2.22 C ATOM 823 CG1 ILE A 59 -8.222 8.353 -9.118 1.00 2.82 C ATOM 824 CG2 ILE A 59 -5.736 8.615 -9.410 1.00 2.51 C ATOM 825 CD1 ILE A 59 -8.713 9.669 -9.738 1.00 3.25 C ATOM 0 H ILE A 59 -8.395 5.888 -10.860 1.00 2.17 H new ATOM 0 HA ILE A 59 -7.095 8.400 -11.791 1.00 1.89 H new ATOM 0 HB ILE A 59 -6.821 6.743 -9.306 1.00 2.22 H new ATOM 0 HG12 ILE A 59 -9.029 7.623 -9.181 1.00 2.82 H new ATOM 0 HG13 ILE A 59 -8.030 8.524 -8.059 1.00 2.82 H new ATOM 0 HG21 ILE A 59 -5.699 8.787 -8.334 1.00 2.51 H new ATOM 0 HG22 ILE A 59 -4.822 8.114 -9.729 1.00 2.51 H new ATOM 0 HG23 ILE A 59 -5.825 9.570 -9.927 1.00 2.51 H new ATOM 0 HD11 ILE A 59 -9.607 10.007 -9.214 1.00 3.25 H new ATOM 0 HD12 ILE A 59 -7.933 10.426 -9.651 1.00 3.25 H new ATOM 0 HD13 ILE A 59 -8.948 9.510 -10.790 1.00 3.25 H new ATOM 837 N LYS A 60 -4.805 7.367 -12.261 1.00 1.59 N ATOM 838 CA LYS A 60 -3.518 6.759 -12.626 1.00 1.81 C ATOM 839 C LYS A 60 -2.347 7.423 -11.876 1.00 1.64 C ATOM 840 O LYS A 60 -1.718 8.368 -12.345 1.00 1.90 O ATOM 841 CB LYS A 60 -3.345 6.620 -14.163 1.00 2.54 C ATOM 842 CG LYS A 60 -3.325 7.881 -15.051 1.00 3.40 C ATOM 843 CD LYS A 60 -4.703 8.501 -15.322 1.00 4.18 C ATOM 844 CE LYS A 60 -4.547 9.776 -16.169 1.00 4.82 C ATOM 845 NZ LYS A 60 -5.739 10.655 -16.087 1.00 5.62 N ATOM 0 H LYS A 60 -4.823 8.380 -12.377 1.00 1.59 H new ATOM 0 HA LYS A 60 -3.512 5.726 -12.278 1.00 1.81 H new ATOM 0 HB2 LYS A 60 -2.412 6.085 -14.338 1.00 2.54 H new ATOM 0 HB3 LYS A 60 -4.151 5.981 -14.524 1.00 2.54 H new ATOM 0 HG2 LYS A 60 -2.692 8.631 -14.578 1.00 3.40 H new ATOM 0 HG3 LYS A 60 -2.862 7.629 -16.005 1.00 3.40 H new ATOM 0 HD2 LYS A 60 -5.338 7.784 -15.842 1.00 4.18 H new ATOM 0 HD3 LYS A 60 -5.196 8.738 -14.379 1.00 4.18 H new ATOM 0 HE2 LYS A 60 -3.668 10.327 -15.834 1.00 4.82 H new ATOM 0 HE3 LYS A 60 -4.373 9.500 -17.209 1.00 4.82 H new ATOM 0 HZ1 LYS A 60 -5.588 11.501 -16.673 1.00 5.62 H new ATOM 0 HZ2 LYS A 60 -6.574 10.140 -16.431 1.00 5.62 H new ATOM 0 HZ3 LYS A 60 -5.892 10.942 -15.099 1.00 5.62 H new ATOM 859 N LEU A 61 -2.057 6.926 -10.668 1.00 1.71 N ATOM 860 CA LEU A 61 -1.010 7.452 -9.785 1.00 1.81 C ATOM 861 C LEU A 61 0.282 6.626 -9.949 1.00 1.98 C ATOM 862 O LEU A 61 1.053 6.915 -10.854 1.00 3.45 O ATOM 863 CB LEU A 61 -1.585 7.585 -8.350 1.00 1.93 C ATOM 864 CG LEU A 61 -1.024 8.774 -7.539 1.00 2.23 C ATOM 865 CD1 LEU A 61 -1.568 10.112 -8.066 1.00 3.18 C ATOM 866 CD2 LEU A 61 -1.411 8.629 -6.061 1.00 2.72 C ATOM 0 H LEU A 61 -2.554 6.130 -10.269 1.00 1.71 H new ATOM 0 HA LEU A 61 -0.702 8.462 -10.056 1.00 1.81 H new ATOM 0 HB2 LEU A 61 -2.668 7.686 -8.415 1.00 1.93 H new ATOM 0 HB3 LEU A 61 -1.383 6.663 -7.805 1.00 1.93 H new ATOM 0 HG LEU A 61 0.061 8.767 -7.646 1.00 2.23 H new ATOM 0 HD11 LEU A 61 -1.156 10.930 -7.476 1.00 3.18 H new ATOM 0 HD12 LEU A 61 -1.280 10.236 -9.110 1.00 3.18 H new ATOM 0 HD13 LEU A 61 -2.655 10.119 -7.987 1.00 3.18 H new ATOM 0 HD21 LEU A 61 -1.012 9.471 -5.496 1.00 2.72 H new ATOM 0 HD22 LEU A 61 -2.497 8.613 -5.969 1.00 2.72 H new ATOM 0 HD23 LEU A 61 -1.000 7.700 -5.667 1.00 2.72 H new ATOM 878 N VAL A 62 0.481 5.610 -9.108 1.00 1.47 N ATOM 879 CA VAL A 62 1.610 4.654 -9.008 1.00 1.44 C ATOM 880 C VAL A 62 1.466 3.804 -7.734 1.00 1.49 C ATOM 881 O VAL A 62 1.790 2.618 -7.726 1.00 1.93 O ATOM 882 CB VAL A 62 3.018 5.326 -9.140 1.00 1.68 C ATOM 883 CG1 VAL A 62 4.022 4.997 -8.019 1.00 2.43 C ATOM 884 CG2 VAL A 62 3.666 4.947 -10.484 1.00 2.41 C ATOM 0 H VAL A 62 -0.219 5.405 -8.395 1.00 1.47 H new ATOM 0 HA VAL A 62 1.554 3.989 -9.870 1.00 1.44 H new ATOM 0 HB VAL A 62 2.810 6.393 -9.067 1.00 1.68 H new ATOM 0 HG11 VAL A 62 4.962 5.514 -8.210 1.00 2.43 H new ATOM 0 HG12 VAL A 62 3.617 5.322 -7.061 1.00 2.43 H new ATOM 0 HG13 VAL A 62 4.198 3.922 -7.992 1.00 2.43 H new ATOM 0 HG21 VAL A 62 4.644 5.421 -10.563 1.00 2.41 H new ATOM 0 HG22 VAL A 62 3.782 3.865 -10.540 1.00 2.41 H new ATOM 0 HG23 VAL A 62 3.031 5.287 -11.303 1.00 2.41 H new ATOM 894 N GLY A 63 0.920 4.418 -6.675 1.00 1.59 N ATOM 895 CA GLY A 63 0.667 3.817 -5.359 1.00 1.76 C ATOM 896 C GLY A 63 1.384 4.599 -4.260 1.00 1.30 C ATOM 897 O GLY A 63 1.380 5.832 -4.281 1.00 1.36 O ATOM 0 H GLY A 63 0.629 5.395 -6.715 1.00 1.59 H new ATOM 0 HA2 GLY A 63 -0.405 3.802 -5.161 1.00 1.76 H new ATOM 0 HA3 GLY A 63 1.007 2.781 -5.356 1.00 1.76 H new ATOM 901 N ALA A 64 1.957 3.898 -3.274 1.00 1.19 N ATOM 902 CA ALA A 64 2.483 4.503 -2.049 1.00 1.17 C ATOM 903 C ALA A 64 3.702 3.767 -1.472 1.00 0.94 C ATOM 904 O ALA A 64 3.777 2.541 -1.520 1.00 1.14 O ATOM 905 CB ALA A 64 1.357 4.542 -1.004 1.00 1.70 C ATOM 0 H ALA A 64 2.069 2.885 -3.307 1.00 1.19 H new ATOM 0 HA ALA A 64 2.828 5.505 -2.302 1.00 1.17 H new ATOM 0 HB1 ALA A 64 1.731 4.990 -0.083 1.00 1.70 H new ATOM 0 HB2 ALA A 64 0.527 5.136 -1.386 1.00 1.70 H new ATOM 0 HB3 ALA A 64 1.014 3.528 -0.801 1.00 1.70 H new ATOM 911 N ALA A 65 4.592 4.539 -0.850 1.00 0.86 N ATOM 912 CA ALA A 65 5.696 4.080 -0.006 1.00 0.78 C ATOM 913 C ALA A 65 5.657 4.812 1.355 1.00 0.78 C ATOM 914 O ALA A 65 4.715 5.559 1.644 1.00 0.81 O ATOM 915 CB ALA A 65 7.004 4.331 -0.776 1.00 0.95 C ATOM 0 H ALA A 65 4.561 5.556 -0.925 1.00 0.86 H new ATOM 0 HA ALA A 65 5.617 3.015 0.214 1.00 0.78 H new ATOM 0 HB1 ALA A 65 7.850 3.999 -0.174 1.00 0.95 H new ATOM 0 HB2 ALA A 65 6.986 3.776 -1.714 1.00 0.95 H new ATOM 0 HB3 ALA A 65 7.104 5.396 -0.986 1.00 0.95 H new ATOM 921 N THR A 66 6.687 4.650 2.194 1.00 0.86 N ATOM 922 CA THR A 66 6.842 5.405 3.450 1.00 0.93 C ATOM 923 C THR A 66 8.323 5.518 3.836 1.00 1.01 C ATOM 924 O THR A 66 9.035 4.524 3.683 1.00 1.03 O ATOM 925 CB THR A 66 6.001 4.776 4.574 1.00 0.98 C ATOM 926 OG1 THR A 66 6.162 5.573 5.727 1.00 1.30 O ATOM 927 CG2 THR A 66 6.374 3.325 4.913 1.00 1.06 C ATOM 0 H THR A 66 7.443 3.988 2.022 1.00 0.86 H new ATOM 0 HA THR A 66 6.468 6.417 3.295 1.00 0.93 H new ATOM 0 HB THR A 66 4.969 4.743 4.223 1.00 0.98 H new ATOM 0 HG1 THR A 66 5.634 5.196 6.462 1.00 1.30 H new ATOM 0 HG21 THR A 66 5.731 2.962 5.715 1.00 1.06 H new ATOM 0 HG22 THR A 66 6.241 2.699 4.030 1.00 1.06 H new ATOM 0 HG23 THR A 66 7.415 3.282 5.235 1.00 1.06 H new ATOM 935 N PRO A 67 8.797 6.682 4.331 1.00 1.15 N ATOM 936 CA PRO A 67 10.134 6.844 4.898 1.00 1.21 C ATOM 937 C PRO A 67 10.208 6.411 6.370 1.00 1.13 C ATOM 938 O PRO A 67 11.285 6.452 6.964 1.00 1.20 O ATOM 939 CB PRO A 67 10.424 8.338 4.751 1.00 1.42 C ATOM 940 CG PRO A 67 9.052 8.964 4.989 1.00 1.46 C ATOM 941 CD PRO A 67 8.114 7.970 4.308 1.00 1.31 C ATOM 0 HA PRO A 67 10.863 6.215 4.388 1.00 1.21 H new ATOM 0 HB2 PRO A 67 11.159 8.682 5.478 1.00 1.42 H new ATOM 0 HB3 PRO A 67 10.815 8.580 3.763 1.00 1.42 H new ATOM 0 HG2 PRO A 67 8.832 9.068 6.051 1.00 1.46 H new ATOM 0 HG3 PRO A 67 8.978 9.959 4.550 1.00 1.46 H new ATOM 0 HD2 PRO A 67 7.160 7.914 4.832 1.00 1.31 H new ATOM 0 HD3 PRO A 67 7.898 8.277 3.285 1.00 1.31 H new ATOM 949 N LEU A 68 9.077 6.024 6.983 1.00 1.07 N ATOM 950 CA LEU A 68 9.055 5.464 8.335 1.00 1.04 C ATOM 951 C LEU A 68 9.664 4.062 8.330 1.00 0.98 C ATOM 952 O LEU A 68 10.549 3.789 9.134 1.00 1.28 O ATOM 953 CB LEU A 68 7.613 5.460 8.881 1.00 1.18 C ATOM 954 CG LEU A 68 6.929 6.844 8.937 1.00 1.57 C ATOM 955 CD1 LEU A 68 5.510 6.673 9.494 1.00 2.72 C ATOM 956 CD2 LEU A 68 7.702 7.857 9.794 1.00 2.29 C ATOM 0 H LEU A 68 8.155 6.093 6.551 1.00 1.07 H new ATOM 0 HA LEU A 68 9.658 6.085 8.997 1.00 1.04 H new ATOM 0 HB2 LEU A 68 7.008 4.798 8.261 1.00 1.18 H new ATOM 0 HB3 LEU A 68 7.623 5.036 9.885 1.00 1.18 H new ATOM 0 HG LEU A 68 6.905 7.243 7.923 1.00 1.57 H new ATOM 0 HD11 LEU A 68 5.017 7.644 9.538 1.00 2.72 H new ATOM 0 HD12 LEU A 68 4.942 6.007 8.845 1.00 2.72 H new ATOM 0 HD13 LEU A 68 5.561 6.246 10.496 1.00 2.72 H new ATOM 0 HD21 LEU A 68 7.174 8.810 9.796 1.00 2.29 H new ATOM 0 HD22 LEU A 68 7.781 7.484 10.815 1.00 2.29 H new ATOM 0 HD23 LEU A 68 8.701 7.997 9.380 1.00 2.29 H new ATOM 968 N ALA A 69 9.237 3.198 7.406 1.00 1.13 N ATOM 969 CA ALA A 69 9.765 1.843 7.313 1.00 1.31 C ATOM 970 C ALA A 69 11.202 1.887 6.786 1.00 1.30 C ATOM 971 O ALA A 69 11.422 2.321 5.653 1.00 1.57 O ATOM 972 CB ALA A 69 8.850 1.000 6.427 1.00 1.54 C ATOM 0 H ALA A 69 8.524 3.418 6.711 1.00 1.13 H new ATOM 0 HA ALA A 69 9.791 1.377 8.298 1.00 1.31 H new ATOM 0 HB1 ALA A 69 9.244 -0.014 6.357 1.00 1.54 H new ATOM 0 HB2 ALA A 69 7.850 0.971 6.860 1.00 1.54 H new ATOM 0 HB3 ALA A 69 8.802 1.440 5.431 1.00 1.54 H new ATOM 978 N THR A 70 12.165 1.430 7.600 1.00 1.27 N ATOM 979 CA THR A 70 13.612 1.534 7.335 1.00 1.31 C ATOM 980 C THR A 70 13.972 0.969 5.954 1.00 1.11 C ATOM 981 O THR A 70 14.838 1.518 5.278 1.00 1.25 O ATOM 982 CB THR A 70 14.416 0.919 8.495 1.00 1.61 C ATOM 983 OG1 THR A 70 15.460 1.808 8.802 1.00 1.45 O ATOM 984 CG2 THR A 70 15.046 -0.455 8.250 1.00 2.64 C ATOM 0 H THR A 70 11.956 0.966 8.484 1.00 1.27 H new ATOM 0 HA THR A 70 13.894 2.586 7.293 1.00 1.31 H new ATOM 0 HB THR A 70 13.690 0.764 9.293 1.00 1.61 H new ATOM 0 HG1 THR A 70 15.992 1.445 9.541 1.00 1.45 H new ATOM 0 HG21 THR A 70 15.583 -0.774 9.144 1.00 2.64 H new ATOM 0 HG22 THR A 70 14.264 -1.178 8.020 1.00 2.64 H new ATOM 0 HG23 THR A 70 15.741 -0.393 7.412 1.00 2.64 H new ATOM 992 N SER A 71 13.252 -0.074 5.530 1.00 0.96 N ATOM 993 CA SER A 71 13.189 -0.540 4.147 1.00 0.92 C ATOM 994 C SER A 71 11.737 -0.921 3.780 1.00 0.84 C ATOM 995 O SER A 71 11.186 -1.875 4.341 1.00 0.85 O ATOM 996 CB SER A 71 14.127 -1.739 3.970 1.00 0.98 C ATOM 997 OG SER A 71 14.200 -2.151 2.621 1.00 1.81 O ATOM 0 H SER A 71 12.680 -0.633 6.163 1.00 0.96 H new ATOM 0 HA SER A 71 13.509 0.259 3.479 1.00 0.92 H new ATOM 0 HB2 SER A 71 15.124 -1.477 4.325 1.00 0.98 H new ATOM 0 HB3 SER A 71 13.778 -2.568 4.585 1.00 0.98 H new ATOM 0 HG SER A 71 14.808 -2.916 2.545 1.00 1.81 H new ATOM 1003 N PRO A 72 11.084 -0.200 2.848 1.00 0.91 N ATOM 1004 CA PRO A 72 9.830 -0.630 2.239 1.00 0.96 C ATOM 1005 C PRO A 72 10.128 -1.632 1.117 1.00 0.94 C ATOM 1006 O PRO A 72 11.109 -1.488 0.387 1.00 1.14 O ATOM 1007 CB PRO A 72 9.170 0.649 1.718 1.00 1.09 C ATOM 1008 CG PRO A 72 10.369 1.522 1.336 1.00 1.12 C ATOM 1009 CD PRO A 72 11.458 1.114 2.334 1.00 1.03 C ATOM 0 HA PRO A 72 9.166 -1.139 2.937 1.00 0.96 H new ATOM 0 HB2 PRO A 72 8.525 0.451 0.862 1.00 1.09 H new ATOM 0 HB3 PRO A 72 8.551 1.123 2.480 1.00 1.09 H new ATOM 0 HG2 PRO A 72 10.682 1.342 0.308 1.00 1.12 H new ATOM 0 HG3 PRO A 72 10.132 2.583 1.416 1.00 1.12 H new ATOM 0 HD2 PRO A 72 12.433 1.077 1.849 1.00 1.03 H new ATOM 0 HD3 PRO A 72 11.532 1.840 3.144 1.00 1.03 H new ATOM 1017 N MET A 73 9.282 -2.655 0.973 1.00 0.93 N ATOM 1018 CA MET A 73 9.523 -3.779 0.061 1.00 0.91 C ATOM 1019 C MET A 73 8.254 -4.177 -0.695 1.00 1.03 C ATOM 1020 O MET A 73 7.307 -4.731 -0.143 1.00 1.35 O ATOM 1021 CB MET A 73 10.133 -4.925 0.869 1.00 0.97 C ATOM 1022 CG MET A 73 10.568 -6.077 -0.047 1.00 1.24 C ATOM 1023 SD MET A 73 11.736 -7.232 0.705 1.00 2.11 S ATOM 1024 CE MET A 73 11.770 -8.473 -0.614 1.00 3.02 C ATOM 0 H MET A 73 8.405 -2.728 1.488 1.00 0.93 H new ATOM 0 HA MET A 73 10.229 -3.490 -0.717 1.00 0.91 H new ATOM 0 HB2 MET A 73 10.992 -4.560 1.432 1.00 0.97 H new ATOM 0 HB3 MET A 73 9.407 -5.289 1.596 1.00 0.97 H new ATOM 0 HG2 MET A 73 9.682 -6.629 -0.361 1.00 1.24 H new ATOM 0 HG3 MET A 73 11.019 -5.659 -0.947 1.00 1.24 H new ATOM 0 HE1 MET A 73 12.446 -9.282 -0.335 1.00 3.02 H new ATOM 0 HE2 MET A 73 10.767 -8.873 -0.763 1.00 3.02 H new ATOM 0 HE3 MET A 73 12.118 -8.012 -1.538 1.00 3.02 H new ATOM 1034 N LEU A 74 8.239 -3.859 -1.988 1.00 1.03 N ATOM 1035 CA LEU A 74 7.045 -3.731 -2.832 1.00 1.14 C ATOM 1036 C LEU A 74 6.691 -5.069 -3.524 1.00 1.06 C ATOM 1037 O LEU A 74 6.664 -5.182 -4.752 1.00 1.47 O ATOM 1038 CB LEU A 74 7.313 -2.567 -3.817 1.00 1.67 C ATOM 1039 CG LEU A 74 7.674 -1.196 -3.189 1.00 1.42 C ATOM 1040 CD1 LEU A 74 8.369 -0.305 -4.228 1.00 2.10 C ATOM 1041 CD2 LEU A 74 6.436 -0.465 -2.653 1.00 2.52 C ATOM 0 H LEU A 74 9.099 -3.674 -2.504 1.00 1.03 H new ATOM 0 HA LEU A 74 6.161 -3.498 -2.239 1.00 1.14 H new ATOM 0 HB2 LEU A 74 8.126 -2.862 -4.481 1.00 1.67 H new ATOM 0 HB3 LEU A 74 6.427 -2.435 -4.438 1.00 1.67 H new ATOM 0 HG LEU A 74 8.344 -1.393 -2.352 1.00 1.42 H new ATOM 0 HD11 LEU A 74 8.618 0.655 -3.776 1.00 2.10 H new ATOM 0 HD12 LEU A 74 9.282 -0.791 -4.572 1.00 2.10 H new ATOM 0 HD13 LEU A 74 7.702 -0.145 -5.075 1.00 2.10 H new ATOM 0 HD21 LEU A 74 6.736 0.490 -2.222 1.00 2.52 H new ATOM 0 HD22 LEU A 74 5.735 -0.291 -3.469 1.00 2.52 H new ATOM 0 HD23 LEU A 74 5.957 -1.074 -1.887 1.00 2.52 H new ATOM 1053 N MET A 75 6.447 -6.101 -2.715 1.00 1.45 N ATOM 1054 CA MET A 75 6.467 -7.514 -3.118 1.00 1.91 C ATOM 1055 C MET A 75 5.082 -8.118 -3.446 1.00 2.12 C ATOM 1056 O MET A 75 4.878 -9.321 -3.308 1.00 3.48 O ATOM 1057 CB MET A 75 7.240 -8.300 -2.043 1.00 2.14 C ATOM 1058 CG MET A 75 6.517 -8.406 -0.697 1.00 2.70 C ATOM 1059 SD MET A 75 7.551 -9.125 0.600 1.00 3.40 S ATOM 1060 CE MET A 75 6.221 -9.673 1.698 1.00 4.95 C ATOM 0 H MET A 75 6.222 -5.976 -1.728 1.00 1.45 H new ATOM 0 HA MET A 75 6.981 -7.590 -4.076 1.00 1.91 H new ATOM 0 HB2 MET A 75 7.437 -9.305 -2.416 1.00 2.14 H new ATOM 0 HB3 MET A 75 8.207 -7.823 -1.886 1.00 2.14 H new ATOM 0 HG2 MET A 75 6.190 -7.414 -0.386 1.00 2.70 H new ATOM 0 HG3 MET A 75 5.620 -9.013 -0.819 1.00 2.70 H new ATOM 0 HE1 MET A 75 6.650 -10.153 2.578 1.00 4.95 H new ATOM 0 HE2 MET A 75 5.627 -8.813 2.007 1.00 4.95 H new ATOM 0 HE3 MET A 75 5.584 -10.383 1.171 1.00 4.95 H new ATOM 1070 N THR A 76 4.137 -7.312 -3.947 1.00 1.72 N ATOM 1071 CA THR A 76 2.725 -7.705 -4.119 1.00 1.92 C ATOM 1072 C THR A 76 2.477 -8.553 -5.367 1.00 1.81 C ATOM 1073 O THR A 76 3.292 -8.527 -6.289 1.00 1.91 O ATOM 1074 CB THR A 76 1.828 -6.468 -4.036 1.00 2.57 C ATOM 1075 OG1 THR A 76 0.474 -6.858 -3.986 1.00 3.41 O ATOM 1076 CG2 THR A 76 2.020 -5.505 -5.208 1.00 2.54 C ATOM 0 H THR A 76 4.330 -6.357 -4.249 1.00 1.72 H new ATOM 0 HA THR A 76 2.459 -8.368 -3.296 1.00 1.92 H new ATOM 0 HB THR A 76 2.116 -5.941 -3.126 1.00 2.57 H new ATOM 0 HG1 THR A 76 0.294 -7.307 -3.134 1.00 3.41 H new ATOM 0 HG21 THR A 76 1.355 -4.650 -5.089 1.00 2.54 H new ATOM 0 HG22 THR A 76 3.054 -5.161 -5.230 1.00 2.54 H new ATOM 0 HG23 THR A 76 1.788 -6.017 -6.142 1.00 2.54 H new ATOM 1084 N THR A 77 1.377 -9.326 -5.373 1.00 1.85 N ATOM 1085 CA THR A 77 1.055 -10.303 -6.422 1.00 1.94 C ATOM 1086 C THR A 77 -0.443 -10.369 -6.705 1.00 2.29 C ATOM 1087 O THR A 77 -1.253 -10.541 -5.791 1.00 3.16 O ATOM 1088 CB THR A 77 1.596 -11.689 -6.059 1.00 1.76 C ATOM 1089 OG1 THR A 77 2.988 -11.622 -5.880 1.00 2.15 O ATOM 1090 CG2 THR A 77 1.311 -12.750 -7.121 1.00 2.67 C ATOM 0 H THR A 77 0.675 -9.287 -4.634 1.00 1.85 H new ATOM 0 HA THR A 77 1.544 -9.965 -7.336 1.00 1.94 H new ATOM 0 HB THR A 77 1.083 -11.983 -5.143 1.00 1.76 H new ATOM 0 HG1 THR A 77 3.331 -12.510 -5.646 1.00 2.15 H new ATOM 0 HG21 THR A 77 1.722 -13.707 -6.799 1.00 2.67 H new ATOM 0 HG22 THR A 77 0.234 -12.846 -7.260 1.00 2.67 H new ATOM 0 HG23 THR A 77 1.773 -12.455 -8.063 1.00 2.67 H new ATOM 1098 N THR A 78 -0.796 -10.351 -7.999 1.00 2.32 N ATOM 1099 CA THR A 78 -2.115 -10.699 -8.556 1.00 2.41 C ATOM 1100 C THR A 78 -1.994 -11.073 -10.029 1.00 2.01 C ATOM 1101 O THR A 78 -1.191 -10.509 -10.766 1.00 3.21 O ATOM 1102 CB THR A 78 -3.154 -9.589 -8.327 1.00 4.22 C ATOM 1103 OG1 THR A 78 -4.374 -9.944 -8.950 1.00 4.77 O ATOM 1104 CG2 THR A 78 -2.737 -8.221 -8.869 1.00 5.60 C ATOM 0 H THR A 78 -0.134 -10.079 -8.726 1.00 2.32 H new ATOM 0 HA THR A 78 -2.481 -11.573 -8.017 1.00 2.41 H new ATOM 0 HB THR A 78 -3.253 -9.499 -7.245 1.00 4.22 H new ATOM 0 HG1 THR A 78 -5.035 -9.236 -8.801 1.00 4.77 H new ATOM 0 HG21 THR A 78 -3.524 -7.494 -8.667 1.00 5.60 H new ATOM 0 HG22 THR A 78 -1.815 -7.902 -8.382 1.00 5.60 H new ATOM 0 HG23 THR A 78 -2.574 -8.290 -9.945 1.00 5.60 H new ATOM 1112 N HIS A 79 -2.790 -12.054 -10.445 1.00 1.76 N ATOM 1113 CA HIS A 79 -2.890 -12.511 -11.827 1.00 3.01 C ATOM 1114 C HIS A 79 -4.367 -12.831 -12.105 1.00 3.50 C ATOM 1115 O HIS A 79 -4.896 -13.832 -11.628 1.00 4.56 O ATOM 1116 CB HIS A 79 -1.941 -13.712 -12.030 1.00 4.51 C ATOM 1117 CG HIS A 79 -1.590 -14.072 -13.460 1.00 5.91 C ATOM 1118 ND1 HIS A 79 -1.934 -13.399 -14.614 1.00 7.28 N ATOM 1119 CD2 HIS A 79 -0.765 -15.097 -13.846 1.00 6.84 C ATOM 1120 CE1 HIS A 79 -1.317 -13.984 -15.654 1.00 8.73 C ATOM 1121 NE2 HIS A 79 -0.609 -15.046 -15.239 1.00 8.47 N ATOM 0 H HIS A 79 -3.401 -12.568 -9.810 1.00 1.76 H new ATOM 0 HA HIS A 79 -2.576 -11.752 -12.543 1.00 3.01 H new ATOM 0 HB2 HIS A 79 -1.014 -13.507 -11.494 1.00 4.51 H new ATOM 0 HB3 HIS A 79 -2.394 -14.586 -11.561 1.00 4.51 H new ATOM 0 HD2 HIS A 79 -0.311 -15.823 -13.187 1.00 6.84 H new ATOM 0 HE1 HIS A 79 -1.381 -13.648 -16.678 1.00 8.73 H new ATOM 0 HE2 HIS A 79 -0.067 -15.686 -15.819 1.00 8.47 H new ATOM 1129 N SER A 80 -5.050 -11.940 -12.822 1.00 3.39 N ATOM 1130 CA SER A 80 -6.499 -12.010 -13.049 1.00 4.16 C ATOM 1131 C SER A 80 -6.878 -11.295 -14.359 1.00 4.25 C ATOM 1132 O SER A 80 -6.650 -11.865 -15.433 1.00 5.27 O ATOM 1133 CB SER A 80 -7.230 -11.492 -11.799 1.00 4.21 C ATOM 1134 OG SER A 80 -8.628 -11.574 -11.985 1.00 5.57 O ATOM 0 H SER A 80 -4.609 -11.136 -13.269 1.00 3.39 H new ATOM 0 HA SER A 80 -6.821 -13.042 -13.191 1.00 4.16 H new ATOM 0 HB2 SER A 80 -6.936 -12.077 -10.928 1.00 4.21 H new ATOM 0 HB3 SER A 80 -6.942 -10.460 -11.601 1.00 4.21 H new ATOM 0 HG SER A 80 -9.085 -11.244 -11.183 1.00 5.57 H new ATOM 1140 N GLY A 81 -7.410 -10.062 -14.308 1.00 3.59 N ATOM 1141 CA GLY A 81 -7.815 -9.249 -15.465 1.00 4.01 C ATOM 1142 C GLY A 81 -7.510 -7.746 -15.330 1.00 3.16 C ATOM 1143 O GLY A 81 -7.566 -7.191 -14.231 1.00 3.58 O ATOM 0 H GLY A 81 -7.576 -9.586 -13.422 1.00 3.59 H new ATOM 0 HA2 GLY A 81 -7.312 -9.630 -16.354 1.00 4.01 H new ATOM 0 HA3 GLY A 81 -8.886 -9.376 -15.625 1.00 4.01 H new ATOM 1147 N GLY A 82 -7.198 -7.080 -16.453 1.00 3.42 N ATOM 1148 CA GLY A 82 -6.976 -5.625 -16.577 1.00 3.87 C ATOM 1149 C GLY A 82 -5.520 -5.195 -16.340 1.00 3.86 C ATOM 1150 O GLY A 82 -5.005 -4.337 -17.057 1.00 4.62 O ATOM 0 H GLY A 82 -7.088 -7.563 -17.345 1.00 3.42 H new ATOM 0 HA2 GLY A 82 -7.282 -5.304 -17.573 1.00 3.87 H new ATOM 0 HA3 GLY A 82 -7.618 -5.107 -15.864 1.00 3.87 H new ATOM 1154 N MET A 83 -4.879 -5.825 -15.352 1.00 3.14 N ATOM 1155 CA MET A 83 -3.450 -5.752 -15.031 1.00 2.95 C ATOM 1156 C MET A 83 -3.101 -6.927 -14.109 1.00 2.65 C ATOM 1157 O MET A 83 -3.837 -7.209 -13.166 1.00 2.67 O ATOM 1158 CB MET A 83 -3.113 -4.405 -14.369 1.00 3.00 C ATOM 1159 CG MET A 83 -1.617 -4.209 -14.083 1.00 3.28 C ATOM 1160 SD MET A 83 -1.282 -2.655 -13.211 1.00 5.08 S ATOM 1161 CE MET A 83 0.532 -2.676 -13.169 1.00 5.58 C ATOM 0 H MET A 83 -5.378 -6.442 -14.711 1.00 3.14 H new ATOM 0 HA MET A 83 -2.857 -5.819 -15.943 1.00 2.95 H new ATOM 0 HB2 MET A 83 -3.458 -3.598 -15.015 1.00 3.00 H new ATOM 0 HB3 MET A 83 -3.666 -4.323 -13.433 1.00 3.00 H new ATOM 0 HG2 MET A 83 -1.251 -5.044 -13.486 1.00 3.28 H new ATOM 0 HG3 MET A 83 -1.065 -4.222 -15.023 1.00 3.28 H new ATOM 0 HE1 MET A 83 0.895 -1.782 -12.662 1.00 5.58 H new ATOM 0 HE2 MET A 83 0.873 -3.561 -12.632 1.00 5.58 H new ATOM 0 HE3 MET A 83 0.919 -2.698 -14.188 1.00 5.58 H new ATOM 1171 N ALA A 84 -1.977 -7.591 -14.372 1.00 2.62 N ATOM 1172 CA ALA A 84 -1.383 -8.618 -13.526 1.00 2.50 C ATOM 1173 C ALA A 84 0.063 -8.232 -13.209 1.00 2.74 C ATOM 1174 O ALA A 84 0.673 -7.476 -13.972 1.00 3.24 O ATOM 1175 CB ALA A 84 -1.460 -9.959 -14.266 1.00 2.64 C ATOM 0 H ALA A 84 -1.434 -7.419 -15.218 1.00 2.62 H new ATOM 0 HA ALA A 84 -1.920 -8.709 -12.582 1.00 2.50 H new ATOM 0 HB1 ALA A 84 -1.020 -10.741 -13.648 1.00 2.64 H new ATOM 0 HB2 ALA A 84 -2.503 -10.202 -14.471 1.00 2.64 H new ATOM 0 HB3 ALA A 84 -0.913 -9.888 -15.206 1.00 2.64 H new ATOM 1181 N GLY A 85 0.613 -8.723 -12.099 1.00 2.61 N ATOM 1182 CA GLY A 85 2.001 -8.501 -11.691 1.00 2.98 C ATOM 1183 C GLY A 85 2.332 -9.266 -10.418 1.00 2.54 C ATOM 1184 O GLY A 85 1.552 -9.216 -9.470 1.00 3.18 O ATOM 0 H GLY A 85 0.092 -9.302 -11.440 1.00 2.61 H new ATOM 0 HA2 GLY A 85 2.672 -8.814 -12.491 1.00 2.98 H new ATOM 0 HA3 GLY A 85 2.170 -7.436 -11.532 1.00 2.98 H new ATOM 1188 N MET A 86 3.461 -9.987 -10.400 1.00 2.13 N ATOM 1189 CA MET A 86 3.863 -10.883 -9.301 1.00 2.04 C ATOM 1190 C MET A 86 5.193 -10.472 -8.666 1.00 1.90 C ATOM 1191 O MET A 86 6.190 -10.260 -9.352 1.00 2.36 O ATOM 1192 CB MET A 86 3.873 -12.349 -9.770 1.00 2.95 C ATOM 1193 CG MET A 86 4.945 -12.672 -10.815 1.00 3.37 C ATOM 1194 SD MET A 86 4.820 -14.353 -11.474 1.00 4.30 S ATOM 1195 CE MET A 86 6.132 -14.285 -12.719 1.00 5.26 C ATOM 0 H MET A 86 4.136 -9.965 -11.164 1.00 2.13 H new ATOM 0 HA MET A 86 3.115 -10.789 -8.513 1.00 2.04 H new ATOM 0 HB2 MET A 86 4.021 -12.994 -8.904 1.00 2.95 H new ATOM 0 HB3 MET A 86 2.894 -12.592 -10.184 1.00 2.95 H new ATOM 0 HG2 MET A 86 4.867 -11.960 -11.637 1.00 3.37 H new ATOM 0 HG3 MET A 86 5.930 -12.537 -10.368 1.00 3.37 H new ATOM 0 HE1 MET A 86 6.199 -15.245 -13.230 1.00 5.26 H new ATOM 0 HE2 MET A 86 5.905 -13.503 -13.444 1.00 5.26 H new ATOM 0 HE3 MET A 86 7.083 -14.065 -12.234 1.00 5.26 H new ATOM 1205 N LYS A 87 5.194 -10.319 -7.341 1.00 2.02 N ATOM 1206 CA LYS A 87 6.286 -9.797 -6.509 1.00 2.28 C ATOM 1207 C LYS A 87 6.888 -8.446 -6.983 1.00 1.49 C ATOM 1208 O LYS A 87 8.020 -8.105 -6.626 1.00 1.94 O ATOM 1209 CB LYS A 87 7.332 -10.904 -6.242 1.00 3.37 C ATOM 1210 CG LYS A 87 7.897 -10.752 -4.817 1.00 4.50 C ATOM 1211 CD LYS A 87 9.118 -11.623 -4.505 1.00 5.92 C ATOM 1212 CE LYS A 87 8.816 -13.127 -4.522 1.00 6.90 C ATOM 1213 NZ LYS A 87 9.927 -13.893 -3.909 1.00 8.20 N ATOM 0 H LYS A 87 4.380 -10.572 -6.781 1.00 2.02 H new ATOM 0 HA LYS A 87 5.846 -9.521 -5.551 1.00 2.28 H new ATOM 0 HB2 LYS A 87 6.874 -11.886 -6.359 1.00 3.37 H new ATOM 0 HB3 LYS A 87 8.139 -10.839 -6.972 1.00 3.37 H new ATOM 0 HG2 LYS A 87 8.165 -9.707 -4.659 1.00 4.50 H new ATOM 0 HG3 LYS A 87 7.108 -10.990 -4.103 1.00 4.50 H new ATOM 0 HD2 LYS A 87 9.902 -11.410 -5.231 1.00 5.92 H new ATOM 0 HD3 LYS A 87 9.509 -11.350 -3.525 1.00 5.92 H new ATOM 0 HE2 LYS A 87 7.891 -13.323 -3.980 1.00 6.90 H new ATOM 0 HE3 LYS A 87 8.661 -13.460 -5.548 1.00 6.90 H new ATOM 0 HZ1 LYS A 87 9.702 -14.908 -3.931 1.00 8.20 H new ATOM 0 HZ2 LYS A 87 10.803 -13.721 -4.442 1.00 8.20 H new ATOM 0 HZ3 LYS A 87 10.056 -13.588 -2.923 1.00 8.20 H new ATOM 1227 N MET A 88 6.152 -7.648 -7.763 1.00 1.92 N ATOM 1228 CA MET A 88 6.650 -6.417 -8.395 1.00 2.18 C ATOM 1229 C MET A 88 5.613 -5.291 -8.309 1.00 2.34 C ATOM 1230 O MET A 88 4.707 -5.223 -9.128 1.00 3.49 O ATOM 1231 CB MET A 88 7.031 -6.698 -9.865 1.00 3.37 C ATOM 1232 CG MET A 88 8.272 -7.594 -10.001 1.00 3.67 C ATOM 1233 SD MET A 88 8.795 -7.942 -11.701 1.00 4.97 S ATOM 1234 CE MET A 88 9.487 -6.333 -12.165 1.00 4.97 C ATOM 0 H MET A 88 5.174 -7.841 -7.978 1.00 1.92 H new ATOM 0 HA MET A 88 7.538 -6.088 -7.856 1.00 2.18 H new ATOM 0 HB2 MET A 88 6.189 -7.173 -10.369 1.00 3.37 H new ATOM 0 HB3 MET A 88 7.215 -5.752 -10.375 1.00 3.37 H new ATOM 0 HG2 MET A 88 9.100 -7.121 -9.473 1.00 3.67 H new ATOM 0 HG3 MET A 88 8.073 -8.541 -9.499 1.00 3.67 H new ATOM 0 HE1 MET A 88 9.951 -6.406 -13.149 1.00 4.97 H new ATOM 0 HE2 MET A 88 8.691 -5.589 -12.194 1.00 4.97 H new ATOM 0 HE3 MET A 88 10.236 -6.034 -11.432 1.00 4.97 H new ATOM 1244 N VAL A 89 5.798 -4.408 -7.328 1.00 1.70 N ATOM 1245 CA VAL A 89 5.331 -3.009 -7.243 1.00 1.49 C ATOM 1246 C VAL A 89 3.809 -2.801 -7.075 1.00 1.55 C ATOM 1247 O VAL A 89 3.007 -3.570 -7.599 1.00 2.10 O ATOM 1248 CB VAL A 89 5.897 -2.063 -8.341 1.00 1.67 C ATOM 1249 CG1 VAL A 89 7.435 -2.045 -8.285 1.00 2.11 C ATOM 1250 CG2 VAL A 89 5.445 -2.318 -9.787 1.00 3.18 C ATOM 0 H VAL A 89 6.325 -4.669 -6.494 1.00 1.70 H new ATOM 0 HA VAL A 89 5.774 -2.712 -6.292 1.00 1.49 H new ATOM 0 HB VAL A 89 5.464 -1.095 -8.088 1.00 1.67 H new ATOM 0 HG11 VAL A 89 7.819 -1.380 -9.058 1.00 2.11 H new ATOM 0 HG12 VAL A 89 7.759 -1.690 -7.307 1.00 2.11 H new ATOM 0 HG13 VAL A 89 7.817 -3.052 -8.451 1.00 2.11 H new ATOM 0 HG21 VAL A 89 5.913 -1.589 -10.448 1.00 3.18 H new ATOM 0 HG22 VAL A 89 5.740 -3.323 -10.088 1.00 3.18 H new ATOM 0 HG23 VAL A 89 4.361 -2.223 -9.851 1.00 3.18 H new ATOM 1260 N PRO A 90 3.381 -1.745 -6.352 1.00 1.40 N ATOM 1261 CA PRO A 90 2.012 -1.270 -6.404 1.00 1.81 C ATOM 1262 C PRO A 90 1.739 -0.610 -7.755 1.00 1.60 C ATOM 1263 O PRO A 90 2.638 -0.368 -8.563 1.00 2.36 O ATOM 1264 CB PRO A 90 1.894 -0.275 -5.244 1.00 2.33 C ATOM 1265 CG PRO A 90 3.292 0.330 -5.159 1.00 2.10 C ATOM 1266 CD PRO A 90 4.174 -0.870 -5.492 1.00 1.41 C ATOM 0 HA PRO A 90 1.280 -2.071 -6.307 1.00 1.81 H new ATOM 0 HB2 PRO A 90 1.138 0.485 -5.441 1.00 2.33 H new ATOM 0 HB3 PRO A 90 1.613 -0.771 -4.315 1.00 2.33 H new ATOM 0 HG2 PRO A 90 3.428 1.146 -5.868 1.00 2.10 H new ATOM 0 HG3 PRO A 90 3.504 0.731 -4.168 1.00 2.10 H new ATOM 0 HD2 PRO A 90 5.086 -0.552 -5.998 1.00 1.41 H new ATOM 0 HD3 PRO A 90 4.478 -1.391 -4.584 1.00 1.41 H new ATOM 1274 N TRP A 91 0.456 -0.329 -7.994 1.00 1.85 N ATOM 1275 CA TRP A 91 -0.089 -0.001 -9.303 1.00 1.63 C ATOM 1276 C TRP A 91 -0.775 1.353 -9.368 1.00 2.02 C ATOM 1277 O TRP A 91 -1.410 1.725 -8.388 1.00 2.84 O ATOM 1278 CB TRP A 91 -1.111 -1.060 -9.717 1.00 2.35 C ATOM 1279 CG TRP A 91 -1.667 -1.864 -8.585 1.00 2.83 C ATOM 1280 CD1 TRP A 91 -2.530 -1.401 -7.658 1.00 3.12 C ATOM 1281 CD2 TRP A 91 -1.282 -3.208 -8.158 1.00 3.51 C ATOM 1282 NE1 TRP A 91 -2.712 -2.368 -6.688 1.00 3.88 N ATOM 1283 CE2 TRP A 91 -1.975 -3.506 -6.949 1.00 4.06 C ATOM 1284 CE3 TRP A 91 -0.398 -4.193 -8.648 1.00 3.98 C ATOM 1285 CZ2 TRP A 91 -1.828 -4.732 -6.276 1.00 4.85 C ATOM 1286 CZ3 TRP A 91 -0.261 -5.434 -7.992 1.00 4.77 C ATOM 1287 CH2 TRP A 91 -0.976 -5.708 -6.811 1.00 5.13 C ATOM 0 H TRP A 91 -0.249 -0.325 -7.257 1.00 1.85 H new ATOM 0 HA TRP A 91 0.768 0.030 -9.976 1.00 1.63 H new ATOM 0 HB2 TRP A 91 -1.934 -0.569 -10.235 1.00 2.35 H new ATOM 0 HB3 TRP A 91 -0.644 -1.738 -10.432 1.00 2.35 H new ATOM 0 HD1 TRP A 91 -3.003 -0.430 -7.672 1.00 3.12 H new ATOM 0 HE1 TRP A 91 -3.319 -2.255 -5.876 1.00 3.88 H new ATOM 0 HE3 TRP A 91 0.181 -3.994 -9.537 1.00 3.98 H new ATOM 0 HZ2 TRP A 91 -2.365 -4.919 -5.358 1.00 4.85 H new ATOM 0 HZ3 TRP A 91 0.401 -6.183 -8.401 1.00 4.77 H new ATOM 0 HH2 TRP A 91 -0.869 -6.664 -6.320 1.00 5.13 H new ATOM 1298 N LEU A 92 -0.663 2.005 -10.557 1.00 2.08 N ATOM 1299 CA LEU A 92 -1.262 3.297 -10.985 1.00 2.98 C ATOM 1300 C LEU A 92 -2.404 3.767 -10.051 1.00 2.55 C ATOM 1301 O LEU A 92 -2.100 4.508 -9.110 1.00 3.46 O ATOM 1302 CB LEU A 92 -1.737 3.108 -12.448 1.00 4.71 C ATOM 1303 CG LEU A 92 -2.631 1.876 -12.795 1.00 5.78 C ATOM 1304 CD1 LEU A 92 -3.924 2.304 -13.513 1.00 7.41 C ATOM 1305 CD2 LEU A 92 -1.881 0.861 -13.669 1.00 7.26 C ATOM 0 H LEU A 92 -0.101 1.603 -11.307 1.00 2.08 H new ATOM 0 HA LEU A 92 -0.520 4.093 -10.924 1.00 2.98 H new ATOM 0 HB2 LEU A 92 -2.285 4.005 -12.736 1.00 4.71 H new ATOM 0 HB3 LEU A 92 -0.850 3.060 -13.080 1.00 4.71 H new ATOM 0 HG LEU A 92 -2.889 1.403 -11.847 1.00 5.78 H new ATOM 0 HD11 LEU A 92 -4.523 1.422 -13.740 1.00 7.41 H new ATOM 0 HD12 LEU A 92 -4.494 2.974 -12.868 1.00 7.41 H new ATOM 0 HD13 LEU A 92 -3.672 2.820 -14.440 1.00 7.41 H new ATOM 0 HD21 LEU A 92 -2.535 0.018 -13.890 1.00 7.26 H new ATOM 0 HD22 LEU A 92 -1.577 1.338 -14.601 1.00 7.26 H new ATOM 0 HD23 LEU A 92 -0.998 0.506 -13.138 1.00 7.26 H new ATOM 1317 N THR A 93 -3.674 3.352 -10.237 1.00 2.68 N ATOM 1318 CA THR A 93 -4.640 3.235 -9.137 1.00 3.80 C ATOM 1319 C THR A 93 -5.578 2.069 -9.373 1.00 3.47 C ATOM 1320 O THR A 93 -5.702 1.193 -8.532 1.00 4.43 O ATOM 1321 CB THR A 93 -5.389 4.541 -8.896 1.00 5.89 C ATOM 1322 OG1 THR A 93 -4.520 5.649 -8.916 1.00 6.28 O ATOM 1323 CG2 THR A 93 -6.038 4.519 -7.520 1.00 7.78 C ATOM 0 H THR A 93 -4.052 3.092 -11.148 1.00 2.68 H new ATOM 0 HA THR A 93 -4.085 3.031 -8.221 1.00 3.80 H new ATOM 0 HB THR A 93 -6.129 4.632 -9.691 1.00 5.89 H new ATOM 0 HG1 THR A 93 -3.628 5.371 -8.620 1.00 6.28 H new ATOM 0 HG21 THR A 93 -6.571 5.455 -7.354 1.00 7.78 H new ATOM 0 HG22 THR A 93 -6.739 3.687 -7.462 1.00 7.78 H new ATOM 0 HG23 THR A 93 -5.269 4.400 -6.757 1.00 7.78 H new ATOM 1331 N ILE A 94 -6.220 2.028 -10.532 1.00 2.38 N ATOM 1332 CA ILE A 94 -7.309 1.105 -10.829 1.00 2.21 C ATOM 1333 C ILE A 94 -7.593 1.091 -12.349 1.00 1.76 C ATOM 1334 O ILE A 94 -8.102 2.086 -12.854 1.00 2.01 O ATOM 1335 CB ILE A 94 -8.538 1.448 -9.939 1.00 2.81 C ATOM 1336 CG1 ILE A 94 -9.749 0.536 -10.201 1.00 3.74 C ATOM 1337 CG2 ILE A 94 -9.025 2.907 -9.985 1.00 3.41 C ATOM 1338 CD1 ILE A 94 -9.428 -0.957 -10.295 1.00 4.85 C ATOM 0 H ILE A 94 -5.994 2.648 -11.309 1.00 2.38 H new ATOM 0 HA ILE A 94 -7.034 0.081 -10.578 1.00 2.21 H new ATOM 0 HB ILE A 94 -8.133 1.274 -8.942 1.00 2.81 H new ATOM 0 HG12 ILE A 94 -10.477 0.686 -9.403 1.00 3.74 H new ATOM 0 HG13 ILE A 94 -10.226 0.849 -11.130 1.00 3.74 H new ATOM 0 HG21 ILE A 94 -9.885 3.025 -9.325 1.00 3.41 H new ATOM 0 HG22 ILE A 94 -8.223 3.569 -9.657 1.00 3.41 H new ATOM 0 HG23 ILE A 94 -9.312 3.163 -11.005 1.00 3.41 H new ATOM 0 HD11 ILE A 94 -10.345 -1.515 -10.481 1.00 4.85 H new ATOM 0 HD12 ILE A 94 -8.727 -1.128 -11.112 1.00 4.85 H new ATOM 0 HD13 ILE A 94 -8.982 -1.293 -9.359 1.00 4.85 H new ATOM 1350 N PRO A 95 -7.262 0.013 -13.100 1.00 1.72 N ATOM 1351 CA PRO A 95 -7.290 -0.039 -14.577 1.00 2.05 C ATOM 1352 C PRO A 95 -8.693 -0.069 -15.236 1.00 1.75 C ATOM 1353 O PRO A 95 -8.858 -0.750 -16.242 1.00 2.59 O ATOM 1354 CB PRO A 95 -6.427 -1.266 -14.943 1.00 2.90 C ATOM 1355 CG PRO A 95 -6.547 -2.172 -13.731 1.00 2.80 C ATOM 1356 CD PRO A 95 -6.569 -1.166 -12.591 1.00 2.23 C ATOM 0 HA PRO A 95 -6.898 0.894 -14.981 1.00 2.05 H new ATOM 0 HB2 PRO A 95 -6.792 -1.756 -15.846 1.00 2.90 H new ATOM 0 HB3 PRO A 95 -5.391 -0.984 -15.130 1.00 2.90 H new ATOM 0 HG2 PRO A 95 -7.454 -2.776 -13.761 1.00 2.80 H new ATOM 0 HG3 PRO A 95 -5.707 -2.862 -13.651 1.00 2.80 H new ATOM 0 HD2 PRO A 95 -7.084 -1.575 -11.721 1.00 2.23 H new ATOM 0 HD3 PRO A 95 -5.557 -0.916 -12.274 1.00 2.23 H new ATOM 1364 N ALA A 96 -9.686 0.648 -14.685 1.00 1.83 N ATOM 1365 CA ALA A 96 -11.103 0.703 -15.123 1.00 1.81 C ATOM 1366 C ALA A 96 -11.825 -0.658 -14.982 1.00 1.91 C ATOM 1367 O ALA A 96 -11.519 -1.624 -15.672 1.00 3.11 O ATOM 1368 CB ALA A 96 -11.208 1.263 -16.553 1.00 2.23 C ATOM 0 H ALA A 96 -9.518 1.242 -13.873 1.00 1.83 H new ATOM 0 HA ALA A 96 -11.622 1.387 -14.452 1.00 1.81 H new ATOM 0 HB1 ALA A 96 -12.255 1.295 -16.855 1.00 2.23 H new ATOM 0 HB2 ALA A 96 -10.791 2.270 -16.581 1.00 2.23 H new ATOM 0 HB3 ALA A 96 -10.652 0.621 -17.237 1.00 2.23 H new ATOM 1374 N ARG A 97 -12.789 -0.769 -14.055 1.00 1.68 N ATOM 1375 CA ARG A 97 -13.623 -1.981 -13.843 1.00 1.69 C ATOM 1376 C ARG A 97 -12.867 -3.228 -13.321 1.00 1.69 C ATOM 1377 O ARG A 97 -13.495 -4.221 -12.948 1.00 2.21 O ATOM 1378 CB ARG A 97 -14.362 -2.332 -15.147 1.00 1.77 C ATOM 1379 CG ARG A 97 -15.721 -3.006 -14.902 1.00 2.31 C ATOM 1380 CD ARG A 97 -16.282 -3.554 -16.214 1.00 2.71 C ATOM 1381 NE ARG A 97 -17.723 -3.844 -16.098 1.00 3.51 N ATOM 1382 CZ ARG A 97 -18.299 -4.915 -15.563 1.00 4.21 C ATOM 1383 NH1 ARG A 97 -17.625 -5.919 -15.030 1.00 4.74 N ATOM 1384 NH2 ARG A 97 -19.609 -4.982 -15.594 1.00 5.14 N ATOM 0 H ARG A 97 -13.022 -0.009 -13.415 1.00 1.68 H new ATOM 0 HA ARG A 97 -14.318 -1.715 -13.046 1.00 1.69 H new ATOM 0 HB2 ARG A 97 -14.513 -1.423 -15.729 1.00 1.77 H new ATOM 0 HB3 ARG A 97 -13.737 -2.994 -15.746 1.00 1.77 H new ATOM 0 HG2 ARG A 97 -15.609 -3.815 -14.180 1.00 2.31 H new ATOM 0 HG3 ARG A 97 -16.419 -2.288 -14.471 1.00 2.31 H new ATOM 0 HD2 ARG A 97 -16.117 -2.831 -17.013 1.00 2.71 H new ATOM 0 HD3 ARG A 97 -15.747 -4.462 -16.490 1.00 2.71 H new ATOM 0 HE ARG A 97 -18.354 -3.137 -16.474 1.00 3.51 H new ATOM 0 HH11 ARG A 97 -16.605 -5.898 -15.015 1.00 4.74 H new ATOM 0 HH12 ARG A 97 -18.124 -6.715 -14.634 1.00 4.74 H new ATOM 0 HH21 ARG A 97 -20.148 -4.228 -16.019 1.00 5.14 H new ATOM 0 HH22 ARG A 97 -20.088 -5.789 -15.193 1.00 5.14 H new ATOM 1398 N GLY A 98 -11.525 -3.209 -13.283 1.00 1.45 N ATOM 1399 CA GLY A 98 -10.684 -4.219 -12.625 1.00 1.51 C ATOM 1400 C GLY A 98 -10.771 -4.146 -11.093 1.00 1.77 C ATOM 1401 O GLY A 98 -11.628 -3.459 -10.535 1.00 2.73 O ATOM 0 H GLY A 98 -10.980 -2.468 -13.723 1.00 1.45 H new ATOM 0 HA2 GLY A 98 -10.987 -5.212 -12.956 1.00 1.51 H new ATOM 0 HA3 GLY A 98 -9.648 -4.082 -12.934 1.00 1.51 H new ATOM 1405 N THR A 99 -9.849 -4.817 -10.397 1.00 2.06 N ATOM 1406 CA THR A 99 -9.764 -4.808 -8.920 1.00 2.39 C ATOM 1407 C THR A 99 -8.329 -5.101 -8.531 1.00 2.33 C ATOM 1408 O THR A 99 -7.981 -6.240 -8.238 1.00 2.59 O ATOM 1409 CB THR A 99 -10.727 -5.816 -8.269 1.00 2.93 C ATOM 1410 OG1 THR A 99 -12.045 -5.587 -8.709 1.00 3.64 O ATOM 1411 CG2 THR A 99 -10.729 -5.725 -6.741 1.00 3.07 C ATOM 0 H THR A 99 -9.130 -5.389 -10.840 1.00 2.06 H new ATOM 0 HA THR A 99 -10.067 -3.827 -8.554 1.00 2.39 H new ATOM 0 HB THR A 99 -10.376 -6.805 -8.565 1.00 2.93 H new ATOM 0 HG1 THR A 99 -12.647 -6.236 -8.289 1.00 3.64 H new ATOM 0 HG21 THR A 99 -11.426 -6.458 -6.334 1.00 3.07 H new ATOM 0 HG22 THR A 99 -9.727 -5.928 -6.363 1.00 3.07 H new ATOM 0 HG23 THR A 99 -11.036 -4.724 -6.437 1.00 3.07 H new ATOM 1419 N LEU A 100 -7.470 -4.081 -8.573 1.00 2.23 N ATOM 1420 CA LEU A 100 -6.069 -4.247 -8.184 1.00 2.34 C ATOM 1421 C LEU A 100 -5.936 -3.953 -6.680 1.00 1.75 C ATOM 1422 O LEU A 100 -6.463 -2.957 -6.188 1.00 1.64 O ATOM 1423 CB LEU A 100 -5.193 -3.380 -9.106 1.00 3.01 C ATOM 1424 CG LEU A 100 -4.836 -4.001 -10.480 1.00 4.62 C ATOM 1425 CD1 LEU A 100 -3.830 -5.148 -10.328 1.00 5.80 C ATOM 1426 CD2 LEU A 100 -6.047 -4.524 -11.273 1.00 6.19 C ATOM 0 H LEU A 100 -7.718 -3.137 -8.870 1.00 2.23 H new ATOM 0 HA LEU A 100 -5.714 -5.269 -8.317 1.00 2.34 H new ATOM 0 HB2 LEU A 100 -5.706 -2.434 -9.279 1.00 3.01 H new ATOM 0 HB3 LEU A 100 -4.266 -3.148 -8.582 1.00 3.01 H new ATOM 0 HG LEU A 100 -4.402 -3.176 -11.045 1.00 4.62 H new ATOM 0 HD11 LEU A 100 -3.600 -5.563 -11.309 1.00 5.80 H new ATOM 0 HD12 LEU A 100 -2.916 -4.772 -9.870 1.00 5.80 H new ATOM 0 HD13 LEU A 100 -4.258 -5.926 -9.697 1.00 5.80 H new ATOM 0 HD21 LEU A 100 -5.708 -4.942 -12.221 1.00 6.19 H new ATOM 0 HD22 LEU A 100 -6.553 -5.298 -10.696 1.00 6.19 H new ATOM 0 HD23 LEU A 100 -6.738 -3.703 -11.465 1.00 6.19 H new ATOM 1438 N THR A 101 -5.307 -4.849 -5.912 1.00 1.66 N ATOM 1439 CA THR A 101 -5.429 -4.880 -4.442 1.00 1.40 C ATOM 1440 C THR A 101 -4.347 -5.753 -3.821 1.00 1.66 C ATOM 1441 O THR A 101 -3.935 -6.750 -4.402 1.00 2.54 O ATOM 1442 CB THR A 101 -6.845 -5.309 -4.021 1.00 2.37 C ATOM 1443 OG1 THR A 101 -6.927 -5.357 -2.619 1.00 3.88 O ATOM 1444 CG2 THR A 101 -7.274 -6.685 -4.533 1.00 2.68 C ATOM 0 H THR A 101 -4.698 -5.576 -6.288 1.00 1.66 H new ATOM 0 HA THR A 101 -5.275 -3.871 -4.060 1.00 1.40 H new ATOM 0 HB THR A 101 -7.506 -4.564 -4.464 1.00 2.37 H new ATOM 0 HG1 THR A 101 -6.324 -4.688 -2.233 1.00 3.88 H new ATOM 0 HG21 THR A 101 -8.284 -6.903 -4.187 1.00 2.68 H new ATOM 0 HG22 THR A 101 -7.254 -6.690 -5.623 1.00 2.68 H new ATOM 0 HG23 THR A 101 -6.589 -7.444 -4.154 1.00 2.68 H new ATOM 1452 N LEU A 102 -3.873 -5.326 -2.651 1.00 1.46 N ATOM 1453 CA LEU A 102 -2.692 -5.836 -1.971 1.00 1.88 C ATOM 1454 C LEU A 102 -3.000 -6.112 -0.492 1.00 1.51 C ATOM 1455 O LEU A 102 -3.206 -5.198 0.307 1.00 1.36 O ATOM 1456 CB LEU A 102 -1.520 -4.839 -2.139 1.00 2.58 C ATOM 1457 CG LEU A 102 -1.787 -3.331 -1.902 1.00 2.75 C ATOM 1458 CD1 LEU A 102 -0.528 -2.667 -1.325 1.00 4.03 C ATOM 1459 CD2 LEU A 102 -2.177 -2.589 -3.191 1.00 3.25 C ATOM 0 H LEU A 102 -4.328 -4.577 -2.129 1.00 1.46 H new ATOM 0 HA LEU A 102 -2.396 -6.783 -2.421 1.00 1.88 H new ATOM 0 HB2 LEU A 102 -0.725 -5.145 -1.459 1.00 2.58 H new ATOM 0 HB3 LEU A 102 -1.133 -4.951 -3.152 1.00 2.58 H new ATOM 0 HG LEU A 102 -2.623 -3.265 -1.205 1.00 2.75 H new ATOM 0 HD11 LEU A 102 -0.719 -1.607 -1.160 1.00 4.03 H new ATOM 0 HD12 LEU A 102 -0.268 -3.141 -0.378 1.00 4.03 H new ATOM 0 HD13 LEU A 102 0.298 -2.782 -2.027 1.00 4.03 H new ATOM 0 HD21 LEU A 102 -2.352 -1.537 -2.966 1.00 3.25 H new ATOM 0 HD22 LEU A 102 -1.370 -2.675 -3.919 1.00 3.25 H new ATOM 0 HD23 LEU A 102 -3.085 -3.028 -3.603 1.00 3.25 H new ATOM 1471 N GLN A 103 -2.998 -7.387 -0.112 1.00 1.63 N ATOM 1472 CA GLN A 103 -3.104 -7.882 1.265 1.00 1.71 C ATOM 1473 C GLN A 103 -2.375 -9.233 1.318 1.00 1.75 C ATOM 1474 O GLN A 103 -2.251 -9.873 0.272 1.00 1.83 O ATOM 1475 CB GLN A 103 -4.568 -8.099 1.712 1.00 2.12 C ATOM 1476 CG GLN A 103 -5.488 -6.863 1.810 1.00 2.56 C ATOM 1477 CD GLN A 103 -6.314 -6.500 0.577 1.00 1.84 C ATOM 1478 OE1 GLN A 103 -7.200 -5.653 0.638 1.00 2.26 O ATOM 1479 NE2 GLN A 103 -6.088 -7.097 -0.575 1.00 2.56 N ATOM 0 H GLN A 103 -2.918 -8.146 -0.789 1.00 1.63 H new ATOM 0 HA GLN A 103 -2.669 -7.140 1.934 1.00 1.71 H new ATOM 0 HB2 GLN A 103 -5.028 -8.803 1.018 1.00 2.12 H new ATOM 0 HB3 GLN A 103 -4.550 -8.580 2.690 1.00 2.12 H new ATOM 0 HG2 GLN A 103 -6.175 -7.020 2.641 1.00 2.56 H new ATOM 0 HG3 GLN A 103 -4.870 -6.003 2.066 1.00 2.56 H new ATOM 0 HE21 GLN A 103 -5.356 -7.804 -0.648 1.00 2.56 H new ATOM 0 HE22 GLN A 103 -6.645 -6.852 -1.394 1.00 2.56 H new ATOM 1488 N ARG A 104 -1.935 -9.688 2.506 1.00 1.91 N ATOM 1489 CA ARG A 104 -1.225 -10.974 2.695 1.00 2.09 C ATOM 1490 C ARG A 104 -1.924 -12.188 2.050 1.00 2.32 C ATOM 1491 O ARG A 104 -1.257 -13.162 1.715 1.00 2.46 O ATOM 1492 CB ARG A 104 -0.957 -11.216 4.199 1.00 2.29 C ATOM 1493 CG ARG A 104 -2.192 -11.326 5.124 1.00 2.91 C ATOM 1494 CD ARG A 104 -2.863 -12.709 5.181 1.00 3.20 C ATOM 1495 NE ARG A 104 -4.311 -12.617 4.926 1.00 4.31 N ATOM 1496 CZ ARG A 104 -5.257 -13.431 5.377 1.00 5.29 C ATOM 1497 NH1 ARG A 104 -5.041 -14.336 6.313 1.00 5.26 N ATOM 1498 NH2 ARG A 104 -6.467 -13.326 4.873 1.00 6.81 N ATOM 0 H ARG A 104 -2.063 -9.169 3.375 1.00 1.91 H new ATOM 0 HA ARG A 104 -0.278 -10.880 2.163 1.00 2.09 H new ATOM 0 HB2 ARG A 104 -0.378 -12.134 4.296 1.00 2.29 H new ATOM 0 HB3 ARG A 104 -0.330 -10.404 4.566 1.00 2.29 H new ATOM 0 HG2 ARG A 104 -1.892 -11.046 6.134 1.00 2.91 H new ATOM 0 HG3 ARG A 104 -2.933 -10.596 4.798 1.00 2.91 H new ATOM 0 HD2 ARG A 104 -2.404 -13.368 4.444 1.00 3.20 H new ATOM 0 HD3 ARG A 104 -2.693 -13.157 6.160 1.00 3.20 H new ATOM 0 HE ARG A 104 -4.620 -11.843 4.338 1.00 4.31 H new ATOM 0 HH11 ARG A 104 -4.112 -14.433 6.724 1.00 5.26 H new ATOM 0 HH12 ARG A 104 -5.803 -14.938 6.626 1.00 5.26 H new ATOM 0 HH21 ARG A 104 -6.661 -12.631 4.152 1.00 6.81 H new ATOM 0 HH22 ARG A 104 -7.212 -13.940 5.203 1.00 6.81 H new ATOM 1512 N ASP A 105 -3.240 -12.079 1.884 1.00 2.59 N ATOM 1513 CA ASP A 105 -4.167 -12.927 1.137 1.00 2.94 C ATOM 1514 C ASP A 105 -3.621 -13.382 -0.228 1.00 2.88 C ATOM 1515 O ASP A 105 -3.806 -14.543 -0.590 1.00 3.26 O ATOM 1516 CB ASP A 105 -5.467 -12.118 0.938 1.00 3.12 C ATOM 1517 CG ASP A 105 -6.102 -11.590 2.232 1.00 3.99 C ATOM 1518 OD1 ASP A 105 -5.409 -10.876 3.001 1.00 5.22 O ATOM 1519 OD2 ASP A 105 -7.270 -11.912 2.519 1.00 4.26 O ATOM 0 H ASP A 105 -3.740 -11.304 2.320 1.00 2.59 H new ATOM 0 HA ASP A 105 -4.333 -13.841 1.708 1.00 2.94 H new ATOM 0 HB2 ASP A 105 -5.256 -11.273 0.283 1.00 3.12 H new ATOM 0 HB3 ASP A 105 -6.194 -12.746 0.423 1.00 3.12 H new ATOM 1524 N GLY A 106 -2.966 -12.474 -0.967 1.00 2.58 N ATOM 1525 CA GLY A 106 -2.314 -12.727 -2.268 1.00 2.68 C ATOM 1526 C GLY A 106 -0.897 -12.155 -2.434 1.00 2.79 C ATOM 1527 O GLY A 106 -0.172 -12.617 -3.312 1.00 3.14 O ATOM 0 H GLY A 106 -2.870 -11.504 -0.666 1.00 2.58 H new ATOM 0 HA2 GLY A 106 -2.270 -13.805 -2.427 1.00 2.68 H new ATOM 0 HA3 GLY A 106 -2.945 -12.314 -3.055 1.00 2.68 H new ATOM 1531 N ASP A 107 -0.547 -11.178 -1.583 1.00 2.84 N ATOM 1532 CA ASP A 107 0.719 -10.511 -1.223 1.00 3.49 C ATOM 1533 C ASP A 107 0.605 -8.968 -1.367 1.00 2.38 C ATOM 1534 O ASP A 107 -0.401 -8.436 -1.845 1.00 2.20 O ATOM 1535 CB ASP A 107 2.007 -11.130 -1.814 1.00 5.12 C ATOM 1536 CG ASP A 107 3.171 -11.133 -0.810 1.00 6.67 C ATOM 1537 OD1 ASP A 107 3.242 -10.143 -0.003 1.00 7.37 O ATOM 1538 OD2 ASP A 107 3.920 -12.111 -0.772 1.00 7.68 O ATOM 0 H ASP A 107 -1.293 -10.760 -1.026 1.00 2.84 H new ATOM 0 HA ASP A 107 0.864 -10.718 -0.163 1.00 3.49 H new ATOM 0 HB2 ASP A 107 1.803 -12.152 -2.132 1.00 5.12 H new ATOM 0 HB3 ASP A 107 2.300 -10.572 -2.704 1.00 5.12 H new ATOM 1543 N HIS A 108 1.609 -8.200 -0.934 1.00 1.97 N ATOM 1544 CA HIS A 108 1.452 -6.798 -0.543 1.00 1.31 C ATOM 1545 C HIS A 108 2.777 -6.014 -0.455 1.00 1.23 C ATOM 1546 O HIS A 108 3.807 -6.496 -0.919 1.00 1.42 O ATOM 1547 CB HIS A 108 0.590 -6.727 0.735 1.00 1.12 C ATOM 1548 CG HIS A 108 1.094 -7.458 1.956 1.00 1.67 C ATOM 1549 ND1 HIS A 108 1.926 -8.560 2.020 1.00 2.21 N ATOM 1550 CD2 HIS A 108 0.651 -7.228 3.231 1.00 2.88 C ATOM 1551 CE1 HIS A 108 1.969 -8.965 3.296 1.00 2.76 C ATOM 1552 NE2 HIS A 108 1.201 -8.192 4.078 1.00 3.30 N ATOM 0 H HIS A 108 2.566 -8.540 -0.844 1.00 1.97 H new ATOM 0 HA HIS A 108 0.925 -6.277 -1.342 1.00 1.31 H new ATOM 0 HB2 HIS A 108 0.465 -5.677 0.999 1.00 1.12 H new ATOM 0 HB3 HIS A 108 -0.400 -7.115 0.495 1.00 1.12 H new ATOM 0 HD1 HIS A 108 2.419 -8.988 1.236 1.00 2.21 H new ATOM 0 HD2 HIS A 108 -0.014 -6.432 3.532 1.00 2.88 H new ATOM 0 HE1 HIS A 108 2.548 -9.806 3.650 1.00 2.76 H new ATOM 1560 N VAL A 109 2.750 -4.794 0.096 1.00 1.09 N ATOM 1561 CA VAL A 109 3.983 -4.055 0.417 1.00 1.07 C ATOM 1562 C VAL A 109 4.315 -4.282 1.892 1.00 0.97 C ATOM 1563 O VAL A 109 3.488 -4.025 2.770 1.00 0.93 O ATOM 1564 CB VAL A 109 3.920 -2.556 0.043 1.00 1.20 C ATOM 1565 CG1 VAL A 109 2.752 -1.805 0.691 1.00 1.71 C ATOM 1566 CG2 VAL A 109 5.231 -1.836 0.404 1.00 2.05 C ATOM 0 H VAL A 109 1.891 -4.296 0.329 1.00 1.09 H new ATOM 0 HA VAL A 109 4.791 -4.446 -0.201 1.00 1.07 H new ATOM 0 HB VAL A 109 3.763 -2.542 -1.036 1.00 1.20 H new ATOM 0 HG11 VAL A 109 2.775 -0.760 0.381 1.00 1.71 H new ATOM 0 HG12 VAL A 109 1.811 -2.256 0.377 1.00 1.71 H new ATOM 0 HG13 VAL A 109 2.839 -1.864 1.776 1.00 1.71 H new ATOM 0 HG21 VAL A 109 5.156 -0.784 0.129 1.00 2.05 H new ATOM 0 HG22 VAL A 109 5.408 -1.919 1.476 1.00 2.05 H new ATOM 0 HG23 VAL A 109 6.059 -2.294 -0.137 1.00 2.05 H new ATOM 1576 N MET A 110 5.527 -4.770 2.143 1.00 1.09 N ATOM 1577 CA MET A 110 6.081 -4.982 3.481 1.00 0.99 C ATOM 1578 C MET A 110 6.809 -3.715 3.938 1.00 0.84 C ATOM 1579 O MET A 110 7.495 -3.054 3.159 1.00 0.90 O ATOM 1580 CB MET A 110 7.046 -6.178 3.453 1.00 1.07 C ATOM 1581 CG MET A 110 7.061 -6.991 4.752 1.00 1.55 C ATOM 1582 SD MET A 110 5.701 -8.178 4.908 1.00 1.79 S ATOM 1583 CE MET A 110 6.487 -9.310 6.083 1.00 2.31 C ATOM 0 H MET A 110 6.172 -5.038 1.399 1.00 1.09 H new ATOM 0 HA MET A 110 5.277 -5.198 4.184 1.00 0.99 H new ATOM 0 HB2 MET A 110 6.772 -6.835 2.627 1.00 1.07 H new ATOM 0 HB3 MET A 110 8.054 -5.815 3.251 1.00 1.07 H new ATOM 0 HG2 MET A 110 8.006 -7.529 4.818 1.00 1.55 H new ATOM 0 HG3 MET A 110 7.026 -6.303 5.597 1.00 1.55 H new ATOM 0 HE1 MET A 110 5.803 -10.127 6.314 1.00 2.31 H new ATOM 0 HE2 MET A 110 7.399 -9.714 5.644 1.00 2.31 H new ATOM 0 HE3 MET A 110 6.732 -8.772 6.998 1.00 2.31 H new ATOM 1593 N LEU A 111 6.667 -3.369 5.211 1.00 0.84 N ATOM 1594 CA LEU A 111 7.255 -2.192 5.841 1.00 0.83 C ATOM 1595 C LEU A 111 8.257 -2.707 6.886 1.00 0.79 C ATOM 1596 O LEU A 111 7.926 -2.893 8.058 1.00 0.97 O ATOM 1597 CB LEU A 111 6.116 -1.342 6.440 1.00 1.08 C ATOM 1598 CG LEU A 111 5.485 -0.269 5.527 1.00 1.22 C ATOM 1599 CD1 LEU A 111 4.972 -0.795 4.183 1.00 2.83 C ATOM 1600 CD2 LEU A 111 4.327 0.398 6.284 1.00 1.92 C ATOM 0 H LEU A 111 6.114 -3.926 5.863 1.00 0.84 H new ATOM 0 HA LEU A 111 7.790 -1.546 5.145 1.00 0.83 H new ATOM 0 HB2 LEU A 111 5.325 -2.017 6.765 1.00 1.08 H new ATOM 0 HB3 LEU A 111 6.498 -0.845 7.332 1.00 1.08 H new ATOM 0 HG LEU A 111 6.280 0.437 5.285 1.00 1.22 H new ATOM 0 HD11 LEU A 111 4.546 0.028 3.609 1.00 2.83 H new ATOM 0 HD12 LEU A 111 5.798 -1.237 3.626 1.00 2.83 H new ATOM 0 HD13 LEU A 111 4.206 -1.551 4.357 1.00 2.83 H new ATOM 0 HD21 LEU A 111 3.870 1.160 5.652 1.00 1.92 H new ATOM 0 HD22 LEU A 111 3.581 -0.353 6.544 1.00 1.92 H new ATOM 0 HD23 LEU A 111 4.707 0.862 7.194 1.00 1.92 H new ATOM 1612 N MET A 112 9.474 -3.021 6.444 1.00 0.71 N ATOM 1613 CA MET A 112 10.476 -3.691 7.274 1.00 0.85 C ATOM 1614 C MET A 112 11.238 -2.660 8.113 1.00 1.03 C ATOM 1615 O MET A 112 11.817 -1.708 7.583 1.00 0.98 O ATOM 1616 CB MET A 112 11.406 -4.538 6.387 1.00 0.92 C ATOM 1617 CG MET A 112 11.908 -5.770 7.146 1.00 1.40 C ATOM 1618 SD MET A 112 12.948 -6.868 6.149 1.00 1.88 S ATOM 1619 CE MET A 112 12.881 -8.330 7.214 1.00 2.82 C ATOM 0 H MET A 112 9.794 -2.818 5.497 1.00 0.71 H new ATOM 0 HA MET A 112 9.988 -4.371 7.972 1.00 0.85 H new ATOM 0 HB2 MET A 112 10.874 -4.851 5.489 1.00 0.92 H new ATOM 0 HB3 MET A 112 12.254 -3.935 6.062 1.00 0.92 H new ATOM 0 HG2 MET A 112 12.473 -5.442 8.019 1.00 1.40 H new ATOM 0 HG3 MET A 112 11.050 -6.333 7.515 1.00 1.40 H new ATOM 0 HE1 MET A 112 13.469 -9.132 6.768 1.00 2.82 H new ATOM 0 HE2 MET A 112 13.287 -8.084 8.195 1.00 2.82 H new ATOM 0 HE3 MET A 112 11.846 -8.655 7.321 1.00 2.82 H new ATOM 1629 N GLY A 113 11.208 -2.833 9.437 1.00 1.40 N ATOM 1630 CA GLY A 113 11.735 -1.874 10.400 1.00 1.78 C ATOM 1631 C GLY A 113 10.810 -0.667 10.510 1.00 1.90 C ATOM 1632 O GLY A 113 11.178 0.397 10.036 1.00 2.22 O ATOM 0 H GLY A 113 10.807 -3.663 9.874 1.00 1.40 H new ATOM 0 HA2 GLY A 113 11.841 -2.349 11.375 1.00 1.78 H new ATOM 0 HA3 GLY A 113 12.730 -1.551 10.094 1.00 1.78 H new ATOM 1636 N LEU A 114 9.646 -0.821 11.146 1.00 1.88 N ATOM 1637 CA LEU A 114 8.612 0.218 11.324 1.00 2.14 C ATOM 1638 C LEU A 114 9.124 1.614 11.733 1.00 2.58 C ATOM 1639 O LEU A 114 8.600 2.617 11.258 1.00 4.66 O ATOM 1640 CB LEU A 114 7.590 -0.312 12.355 1.00 2.25 C ATOM 1641 CG LEU A 114 8.166 -0.615 13.765 1.00 2.77 C ATOM 1642 CD1 LEU A 114 7.768 0.440 14.807 1.00 4.36 C ATOM 1643 CD2 LEU A 114 7.623 -1.959 14.270 1.00 3.59 C ATOM 0 H LEU A 114 9.381 -1.709 11.572 1.00 1.88 H new ATOM 0 HA LEU A 114 8.165 0.389 10.345 1.00 2.14 H new ATOM 0 HB2 LEU A 114 6.789 0.420 12.457 1.00 2.25 H new ATOM 0 HB3 LEU A 114 7.140 -1.223 11.961 1.00 2.25 H new ATOM 0 HG LEU A 114 9.250 -0.622 13.655 1.00 2.77 H new ATOM 0 HD11 LEU A 114 8.198 0.177 15.773 1.00 4.36 H new ATOM 0 HD12 LEU A 114 8.141 1.416 14.497 1.00 4.36 H new ATOM 0 HD13 LEU A 114 6.682 0.477 14.891 1.00 4.36 H new ATOM 0 HD21 LEU A 114 8.030 -2.167 15.260 1.00 3.59 H new ATOM 0 HD22 LEU A 114 6.535 -1.914 14.327 1.00 3.59 H new ATOM 0 HD23 LEU A 114 7.917 -2.752 13.582 1.00 3.59 H new ATOM 1655 N LYS A 115 10.090 1.657 12.661 1.00 1.21 N ATOM 1656 CA LYS A 115 10.753 2.813 13.308 1.00 1.71 C ATOM 1657 C LYS A 115 9.838 3.817 14.054 1.00 2.23 C ATOM 1658 O LYS A 115 10.305 4.466 14.990 1.00 3.01 O ATOM 1659 CB LYS A 115 11.671 3.540 12.312 1.00 2.11 C ATOM 1660 CG LYS A 115 12.692 2.633 11.591 1.00 2.72 C ATOM 1661 CD LYS A 115 14.155 2.870 11.997 1.00 3.36 C ATOM 1662 CE LYS A 115 14.382 2.161 13.333 1.00 4.43 C ATOM 1663 NZ LYS A 115 15.726 2.416 13.916 1.00 5.94 N ATOM 0 H LYS A 115 10.475 0.784 13.022 1.00 1.21 H new ATOM 0 HA LYS A 115 11.338 2.361 14.109 1.00 1.71 H new ATOM 0 HB2 LYS A 115 11.052 4.034 11.563 1.00 2.11 H new ATOM 0 HB3 LYS A 115 12.213 4.322 12.843 1.00 2.11 H new ATOM 0 HG2 LYS A 115 12.437 1.592 11.790 1.00 2.72 H new ATOM 0 HG3 LYS A 115 12.598 2.785 10.516 1.00 2.72 H new ATOM 0 HD2 LYS A 115 14.832 2.481 11.236 1.00 3.36 H new ATOM 0 HD3 LYS A 115 14.359 3.937 12.089 1.00 3.36 H new ATOM 0 HE2 LYS A 115 13.619 2.484 14.042 1.00 4.43 H new ATOM 0 HE3 LYS A 115 14.253 1.088 13.193 1.00 4.43 H new ATOM 0 HZ1 LYS A 115 15.815 1.908 14.819 1.00 5.94 H new ATOM 0 HZ2 LYS A 115 16.459 2.083 13.258 1.00 5.94 H new ATOM 0 HZ3 LYS A 115 15.845 3.436 14.080 1.00 5.94 H new ATOM 1677 N ARG A 116 8.551 3.926 13.706 1.00 2.13 N ATOM 1678 CA ARG A 116 7.508 4.687 14.416 1.00 2.64 C ATOM 1679 C ARG A 116 6.459 3.734 15.040 1.00 1.97 C ATOM 1680 O ARG A 116 5.825 2.998 14.282 1.00 1.52 O ATOM 1681 CB ARG A 116 6.814 5.645 13.426 1.00 3.43 C ATOM 1682 CG ARG A 116 5.898 6.663 14.135 1.00 4.16 C ATOM 1683 CD ARG A 116 6.704 7.834 14.717 1.00 3.86 C ATOM 1684 NE ARG A 116 6.100 8.427 15.923 1.00 4.10 N ATOM 1685 CZ ARG A 116 4.972 9.118 16.046 1.00 5.15 C ATOM 1686 NH1 ARG A 116 4.093 9.286 15.083 1.00 6.12 N ATOM 1687 NH2 ARG A 116 4.701 9.692 17.191 1.00 5.75 N ATOM 0 H ARG A 116 8.185 3.461 12.875 1.00 2.13 H new ATOM 0 HA ARG A 116 7.976 5.256 15.219 1.00 2.64 H new ATOM 0 HB2 ARG A 116 7.571 6.180 12.852 1.00 3.43 H new ATOM 0 HB3 ARG A 116 6.226 5.065 12.715 1.00 3.43 H new ATOM 0 HG2 ARG A 116 5.160 7.043 13.429 1.00 4.16 H new ATOM 0 HG3 ARG A 116 5.349 6.165 14.934 1.00 4.16 H new ATOM 0 HD2 ARG A 116 7.709 7.488 14.958 1.00 3.86 H new ATOM 0 HD3 ARG A 116 6.807 8.607 13.955 1.00 3.86 H new ATOM 0 HE ARG A 116 6.623 8.287 16.787 1.00 4.10 H new ATOM 0 HH11 ARG A 116 4.256 8.871 14.166 1.00 6.12 H new ATOM 0 HH12 ARG A 116 3.248 9.831 15.253 1.00 6.12 H new ATOM 0 HH21 ARG A 116 5.352 9.605 17.972 1.00 5.75 H new ATOM 0 HH22 ARG A 116 3.839 10.226 17.302 1.00 5.75 H new ATOM 1701 N PRO A 117 6.257 3.721 16.375 1.00 2.34 N ATOM 1702 CA PRO A 117 5.227 2.905 17.018 1.00 2.23 C ATOM 1703 C PRO A 117 3.838 3.512 16.774 1.00 2.03 C ATOM 1704 O PRO A 117 3.674 4.726 16.882 1.00 2.40 O ATOM 1705 CB PRO A 117 5.592 2.887 18.505 1.00 3.20 C ATOM 1706 CG PRO A 117 6.292 4.231 18.711 1.00 3.75 C ATOM 1707 CD PRO A 117 7.004 4.471 17.379 1.00 3.27 C ATOM 0 HA PRO A 117 5.186 1.892 16.617 1.00 2.23 H new ATOM 0 HB2 PRO A 117 4.708 2.793 19.135 1.00 3.20 H new ATOM 0 HB3 PRO A 117 6.247 2.051 18.748 1.00 3.20 H new ATOM 0 HG2 PRO A 117 5.579 5.025 18.934 1.00 3.75 H new ATOM 0 HG3 PRO A 117 6.997 4.193 19.542 1.00 3.75 H new ATOM 0 HD2 PRO A 117 7.025 5.533 17.135 1.00 3.27 H new ATOM 0 HD3 PRO A 117 8.040 4.134 17.425 1.00 3.27 H new ATOM 1715 N LEU A 118 2.856 2.673 16.414 1.00 1.68 N ATOM 1716 CA LEU A 118 1.493 3.077 16.034 1.00 1.51 C ATOM 1717 C LEU A 118 0.481 1.997 16.445 1.00 1.33 C ATOM 1718 O LEU A 118 0.675 0.812 16.153 1.00 1.55 O ATOM 1719 CB LEU A 118 1.413 3.269 14.503 1.00 1.52 C ATOM 1720 CG LEU A 118 2.410 4.259 13.861 1.00 2.05 C ATOM 1721 CD1 LEU A 118 2.591 3.927 12.378 1.00 2.65 C ATOM 1722 CD2 LEU A 118 1.958 5.717 14.030 1.00 2.76 C ATOM 0 H LEU A 118 2.992 1.663 16.378 1.00 1.68 H new ATOM 0 HA LEU A 118 1.257 4.011 16.543 1.00 1.51 H new ATOM 0 HB2 LEU A 118 1.554 2.296 14.033 1.00 1.52 H new ATOM 0 HB3 LEU A 118 0.404 3.599 14.257 1.00 1.52 H new ATOM 0 HG LEU A 118 3.365 4.153 14.376 1.00 2.05 H new ATOM 0 HD11 LEU A 118 3.295 4.629 11.931 1.00 2.65 H new ATOM 0 HD12 LEU A 118 2.976 2.912 12.277 1.00 2.65 H new ATOM 0 HD13 LEU A 118 1.631 4.003 11.868 1.00 2.65 H new ATOM 0 HD21 LEU A 118 2.687 6.380 13.564 1.00 2.76 H new ATOM 0 HD22 LEU A 118 0.987 5.854 13.554 1.00 2.76 H new ATOM 0 HD23 LEU A 118 1.879 5.953 15.091 1.00 2.76 H new ATOM 1734 N LYS A 119 -0.618 2.379 17.101 1.00 1.16 N ATOM 1735 CA LYS A 119 -1.638 1.431 17.563 1.00 0.98 C ATOM 1736 C LYS A 119 -2.672 1.101 16.458 1.00 0.86 C ATOM 1737 O LYS A 119 -2.795 1.761 15.433 1.00 1.07 O ATOM 1738 CB LYS A 119 -2.248 1.947 18.897 1.00 1.30 C ATOM 1739 CG LYS A 119 -3.112 0.885 19.605 1.00 2.06 C ATOM 1740 CD LYS A 119 -3.435 1.132 21.084 1.00 2.73 C ATOM 1741 CE LYS A 119 -4.200 -0.110 21.581 1.00 4.21 C ATOM 1742 NZ LYS A 119 -4.596 -0.036 23.004 1.00 4.88 N ATOM 0 H LYS A 119 -0.826 3.352 17.327 1.00 1.16 H new ATOM 0 HA LYS A 119 -1.178 0.466 17.778 1.00 0.98 H new ATOM 0 HB2 LYS A 119 -1.444 2.258 19.563 1.00 1.30 H new ATOM 0 HB3 LYS A 119 -2.856 2.829 18.697 1.00 1.30 H new ATOM 0 HG2 LYS A 119 -4.053 0.795 19.062 1.00 2.06 H new ATOM 0 HG3 LYS A 119 -2.604 -0.076 19.524 1.00 2.06 H new ATOM 0 HD2 LYS A 119 -2.522 1.281 21.660 1.00 2.73 H new ATOM 0 HD3 LYS A 119 -4.038 2.032 21.204 1.00 2.73 H new ATOM 0 HE2 LYS A 119 -5.094 -0.243 20.971 1.00 4.21 H new ATOM 0 HE3 LYS A 119 -3.578 -0.992 21.432 1.00 4.21 H new ATOM 0 HZ1 LYS A 119 -5.105 -0.904 23.268 1.00 4.88 H new ATOM 0 HZ2 LYS A 119 -3.747 0.061 23.596 1.00 4.88 H new ATOM 0 HZ3 LYS A 119 -5.215 0.787 23.150 1.00 4.88 H new ATOM 1756 N VAL A 120 -3.476 0.072 16.712 1.00 1.02 N ATOM 1757 CA VAL A 120 -4.547 -0.540 15.884 1.00 1.29 C ATOM 1758 C VAL A 120 -5.652 0.405 15.352 1.00 1.51 C ATOM 1759 O VAL A 120 -6.510 -0.038 14.598 1.00 2.10 O ATOM 1760 CB VAL A 120 -5.170 -1.713 16.692 1.00 1.55 C ATOM 1761 CG1 VAL A 120 -6.198 -1.266 17.745 1.00 1.62 C ATOM 1762 CG2 VAL A 120 -5.753 -2.827 15.813 1.00 2.72 C ATOM 0 H VAL A 120 -3.394 -0.419 17.602 1.00 1.02 H new ATOM 0 HA VAL A 120 -4.056 -0.874 14.970 1.00 1.29 H new ATOM 0 HB VAL A 120 -4.319 -2.132 17.228 1.00 1.55 H new ATOM 0 HG11 VAL A 120 -6.588 -2.140 18.267 1.00 1.62 H new ATOM 0 HG12 VAL A 120 -5.718 -0.599 18.462 1.00 1.62 H new ATOM 0 HG13 VAL A 120 -7.018 -0.741 17.254 1.00 1.62 H new ATOM 0 HG21 VAL A 120 -6.169 -3.610 16.447 1.00 2.72 H new ATOM 0 HG22 VAL A 120 -6.539 -2.417 15.179 1.00 2.72 H new ATOM 0 HG23 VAL A 120 -4.965 -3.247 15.188 1.00 2.72 H new ATOM 1772 N GLY A 121 -5.652 1.682 15.743 1.00 1.36 N ATOM 1773 CA GLY A 121 -6.580 2.732 15.301 1.00 1.67 C ATOM 1774 C GLY A 121 -5.898 4.090 15.110 1.00 1.59 C ATOM 1775 O GLY A 121 -6.563 5.121 15.156 1.00 1.78 O ATOM 0 H GLY A 121 -4.968 2.033 16.413 1.00 1.36 H new ATOM 0 HA2 GLY A 121 -7.043 2.429 14.362 1.00 1.67 H new ATOM 0 HA3 GLY A 121 -7.381 2.833 16.033 1.00 1.67 H new ATOM 1779 N GLU A 122 -4.571 4.109 14.948 1.00 1.40 N ATOM 1780 CA GLU A 122 -3.784 5.333 14.825 1.00 1.35 C ATOM 1781 C GLU A 122 -3.915 5.942 13.419 1.00 1.44 C ATOM 1782 O GLU A 122 -4.225 5.258 12.430 1.00 1.57 O ATOM 1783 CB GLU A 122 -2.313 5.008 15.133 1.00 1.38 C ATOM 1784 CG GLU A 122 -1.539 6.120 15.841 1.00 1.33 C ATOM 1785 CD GLU A 122 -1.689 6.027 17.363 1.00 2.10 C ATOM 1786 OE1 GLU A 122 -1.047 5.150 17.979 1.00 2.47 O ATOM 1787 OE2 GLU A 122 -2.466 6.826 17.946 1.00 3.49 O ATOM 0 H GLU A 122 -4.008 3.260 14.898 1.00 1.40 H new ATOM 0 HA GLU A 122 -4.159 6.070 15.535 1.00 1.35 H new ATOM 0 HB2 GLU A 122 -2.277 4.111 15.751 1.00 1.38 H new ATOM 0 HB3 GLU A 122 -1.806 4.772 14.198 1.00 1.38 H new ATOM 0 HG2 GLU A 122 -0.484 6.058 15.574 1.00 1.33 H new ATOM 0 HG3 GLU A 122 -1.898 7.090 15.498 1.00 1.33 H new ATOM 1794 N THR A 123 -3.574 7.230 13.315 1.00 1.51 N ATOM 1795 CA THR A 123 -3.192 7.863 12.049 1.00 1.60 C ATOM 1796 C THR A 123 -1.669 7.889 11.925 1.00 1.31 C ATOM 1797 O THR A 123 -0.950 7.848 12.924 1.00 1.45 O ATOM 1798 CB THR A 123 -3.854 9.240 11.910 1.00 2.13 C ATOM 1799 OG1 THR A 123 -3.655 9.715 10.596 1.00 3.12 O ATOM 1800 CG2 THR A 123 -3.312 10.281 12.894 1.00 2.85 C ATOM 0 H THR A 123 -3.555 7.867 14.112 1.00 1.51 H new ATOM 0 HA THR A 123 -3.562 7.276 11.208 1.00 1.60 H new ATOM 0 HB THR A 123 -4.912 9.104 12.136 1.00 2.13 H new ATOM 0 HG1 THR A 123 -3.602 8.956 9.978 1.00 3.12 H new ATOM 0 HG21 THR A 123 -3.825 11.230 12.739 1.00 2.85 H new ATOM 0 HG22 THR A 123 -3.482 9.939 13.915 1.00 2.85 H new ATOM 0 HG23 THR A 123 -2.243 10.415 12.729 1.00 2.85 H new ATOM 1808 N VAL A 124 -1.193 7.935 10.687 1.00 1.09 N ATOM 1809 CA VAL A 124 0.211 7.773 10.289 1.00 0.99 C ATOM 1810 C VAL A 124 0.488 8.604 9.032 1.00 0.92 C ATOM 1811 O VAL A 124 -0.422 8.891 8.258 1.00 0.98 O ATOM 1812 CB VAL A 124 0.545 6.271 10.101 1.00 1.14 C ATOM 1813 CG1 VAL A 124 -0.342 5.570 9.061 1.00 2.25 C ATOM 1814 CG2 VAL A 124 2.016 6.032 9.730 1.00 2.11 C ATOM 0 H VAL A 124 -1.804 8.095 9.886 1.00 1.09 H new ATOM 0 HA VAL A 124 0.868 8.144 11.076 1.00 0.99 H new ATOM 0 HB VAL A 124 0.343 5.833 11.079 1.00 1.14 H new ATOM 0 HG11 VAL A 124 -0.052 4.522 8.982 1.00 2.25 H new ATOM 0 HG12 VAL A 124 -1.385 5.635 9.370 1.00 2.25 H new ATOM 0 HG13 VAL A 124 -0.219 6.054 8.092 1.00 2.25 H new ATOM 0 HG21 VAL A 124 2.192 4.963 9.611 1.00 2.11 H new ATOM 0 HG22 VAL A 124 2.243 6.543 8.795 1.00 2.11 H new ATOM 0 HG23 VAL A 124 2.658 6.420 10.521 1.00 2.11 H new ATOM 1824 N ASN A 125 1.749 8.994 8.831 1.00 0.93 N ATOM 1825 CA ASN A 125 2.211 9.701 7.632 1.00 0.88 C ATOM 1826 C ASN A 125 2.764 8.713 6.586 1.00 0.85 C ATOM 1827 O ASN A 125 3.529 7.799 6.905 1.00 1.03 O ATOM 1828 CB ASN A 125 3.250 10.771 8.023 1.00 1.12 C ATOM 1829 CG ASN A 125 2.750 11.748 9.084 1.00 1.42 C ATOM 1830 OD1 ASN A 125 3.394 11.995 10.093 1.00 2.28 O ATOM 1831 ND2 ASN A 125 1.580 12.309 8.916 1.00 1.90 N ATOM 0 H ASN A 125 2.492 8.825 9.509 1.00 0.93 H new ATOM 0 HA ASN A 125 1.364 10.207 7.169 1.00 0.88 H new ATOM 0 HB2 ASN A 125 4.148 10.276 8.391 1.00 1.12 H new ATOM 0 HB3 ASN A 125 3.537 11.330 7.132 1.00 1.12 H new ATOM 0 HD21 ASN A 125 1.213 12.946 9.624 1.00 1.90 H new ATOM 0 HD22 ASN A 125 1.034 12.110 8.078 1.00 1.90 H new ATOM 1838 N ILE A 126 2.364 8.883 5.322 1.00 0.88 N ATOM 1839 CA ILE A 126 2.712 8.033 4.172 1.00 0.92 C ATOM 1840 C ILE A 126 3.107 8.906 2.970 1.00 0.98 C ATOM 1841 O ILE A 126 2.874 10.123 2.995 1.00 1.20 O ATOM 1842 CB ILE A 126 1.533 7.062 3.876 1.00 0.91 C ATOM 1843 CG1 ILE A 126 1.995 5.805 3.114 1.00 1.48 C ATOM 1844 CG2 ILE A 126 0.382 7.766 3.131 1.00 1.39 C ATOM 1845 CD1 ILE A 126 0.978 4.657 3.105 1.00 1.86 C ATOM 0 H ILE A 126 1.756 9.658 5.056 1.00 0.88 H new ATOM 0 HA ILE A 126 3.583 7.417 4.397 1.00 0.92 H new ATOM 0 HB ILE A 126 1.151 6.736 4.844 1.00 0.91 H new ATOM 0 HG12 ILE A 126 2.220 6.082 2.084 1.00 1.48 H new ATOM 0 HG13 ILE A 126 2.924 5.447 3.558 1.00 1.48 H new ATOM 0 HG21 ILE A 126 -0.421 7.053 2.944 1.00 1.39 H new ATOM 0 HG22 ILE A 126 0.003 8.587 3.740 1.00 1.39 H new ATOM 0 HG23 ILE A 126 0.748 8.157 2.182 1.00 1.39 H new ATOM 0 HD11 ILE A 126 1.386 3.814 2.547 1.00 1.86 H new ATOM 0 HD12 ILE A 126 0.769 4.348 4.129 1.00 1.86 H new ATOM 0 HD13 ILE A 126 0.055 4.992 2.632 1.00 1.86 H new ATOM 1857 N THR A 127 3.687 8.306 1.924 1.00 0.85 N ATOM 1858 CA THR A 127 4.171 9.028 0.743 1.00 0.91 C ATOM 1859 C THR A 127 3.591 8.383 -0.505 1.00 0.82 C ATOM 1860 O THR A 127 4.089 7.359 -0.974 1.00 1.04 O ATOM 1861 CB THR A 127 5.706 9.058 0.749 1.00 1.03 C ATOM 1862 OG1 THR A 127 6.150 9.518 2.005 1.00 1.49 O ATOM 1863 CG2 THR A 127 6.285 9.995 -0.306 1.00 1.42 C ATOM 0 H THR A 127 3.834 7.298 1.874 1.00 0.85 H new ATOM 0 HA THR A 127 3.838 10.066 0.757 1.00 0.91 H new ATOM 0 HB THR A 127 6.042 8.044 0.534 1.00 1.03 H new ATOM 0 HG1 THR A 127 7.072 9.841 1.928 1.00 1.49 H new ATOM 0 HG21 THR A 127 7.374 9.974 -0.253 1.00 1.42 H new ATOM 0 HG22 THR A 127 5.963 9.671 -1.296 1.00 1.42 H new ATOM 0 HG23 THR A 127 5.933 11.010 -0.124 1.00 1.42 H new ATOM 1871 N LEU A 128 2.523 8.970 -1.051 1.00 0.81 N ATOM 1872 CA LEU A 128 2.040 8.625 -2.383 1.00 0.92 C ATOM 1873 C LEU A 128 2.883 9.402 -3.388 1.00 1.19 C ATOM 1874 O LEU A 128 3.305 10.517 -3.115 1.00 2.06 O ATOM 1875 CB LEU A 128 0.546 8.973 -2.521 1.00 1.38 C ATOM 1876 CG LEU A 128 -0.402 7.934 -1.895 1.00 1.24 C ATOM 1877 CD1 LEU A 128 -0.265 7.757 -0.377 1.00 2.65 C ATOM 1878 CD2 LEU A 128 -1.858 8.299 -2.213 1.00 2.01 C ATOM 0 H LEU A 128 1.975 9.692 -0.583 1.00 0.81 H new ATOM 0 HA LEU A 128 2.135 7.554 -2.564 1.00 0.92 H new ATOM 0 HB2 LEU A 128 0.365 9.941 -2.055 1.00 1.38 H new ATOM 0 HB3 LEU A 128 0.305 9.078 -3.579 1.00 1.38 H new ATOM 0 HG LEU A 128 -0.111 6.984 -2.342 1.00 1.24 H new ATOM 0 HD11 LEU A 128 -0.975 7.005 -0.033 1.00 2.65 H new ATOM 0 HD12 LEU A 128 0.749 7.436 -0.138 1.00 2.65 H new ATOM 0 HD13 LEU A 128 -0.472 8.705 0.120 1.00 2.65 H new ATOM 0 HD21 LEU A 128 -2.524 7.560 -1.767 1.00 2.01 H new ATOM 0 HD22 LEU A 128 -2.084 9.284 -1.805 1.00 2.01 H new ATOM 0 HD23 LEU A 128 -2.002 8.313 -3.293 1.00 2.01 H new ATOM 1890 N LYS A 129 3.103 8.830 -4.567 1.00 0.92 N ATOM 1891 CA LYS A 129 3.717 9.495 -5.723 1.00 1.09 C ATOM 1892 C LYS A 129 3.046 8.963 -6.999 1.00 1.03 C ATOM 1893 O LYS A 129 2.489 7.862 -7.009 1.00 1.11 O ATOM 1894 CB LYS A 129 5.252 9.282 -5.723 1.00 1.43 C ATOM 1895 CG LYS A 129 5.970 10.085 -4.629 1.00 2.47 C ATOM 1896 CD LYS A 129 7.455 10.371 -4.890 1.00 2.87 C ATOM 1897 CE LYS A 129 8.365 9.143 -4.750 1.00 3.32 C ATOM 1898 NZ LYS A 129 9.783 9.530 -4.941 1.00 3.86 N ATOM 0 H LYS A 129 2.853 7.859 -4.756 1.00 0.92 H new ATOM 0 HA LYS A 129 3.561 10.573 -5.674 1.00 1.09 H new ATOM 0 HB2 LYS A 129 5.466 8.222 -5.587 1.00 1.43 H new ATOM 0 HB3 LYS A 129 5.652 9.566 -6.696 1.00 1.43 H new ATOM 0 HG2 LYS A 129 5.452 11.035 -4.500 1.00 2.47 H new ATOM 0 HG3 LYS A 129 5.882 9.543 -3.687 1.00 2.47 H new ATOM 0 HD2 LYS A 129 7.564 10.778 -5.895 1.00 2.87 H new ATOM 0 HD3 LYS A 129 7.793 11.141 -4.196 1.00 2.87 H new ATOM 0 HE2 LYS A 129 8.233 8.694 -3.766 1.00 3.32 H new ATOM 0 HE3 LYS A 129 8.085 8.388 -5.485 1.00 3.32 H new ATOM 0 HZ1 LYS A 129 10.388 8.690 -4.844 1.00 3.86 H new ATOM 0 HZ2 LYS A 129 9.907 9.938 -5.890 1.00 3.86 H new ATOM 0 HZ3 LYS A 129 10.050 10.234 -4.224 1.00 3.86 H new ATOM 1912 N ALA A 130 3.048 9.776 -8.060 1.00 1.43 N ATOM 1913 CA ALA A 130 2.521 9.401 -9.378 1.00 1.47 C ATOM 1914 C ALA A 130 3.627 9.019 -10.381 1.00 1.65 C ATOM 1915 O ALA A 130 4.803 9.236 -10.097 1.00 2.10 O ATOM 1916 CB ALA A 130 1.661 10.556 -9.912 1.00 1.70 C ATOM 0 H ALA A 130 3.420 10.725 -8.028 1.00 1.43 H new ATOM 0 HA ALA A 130 1.912 8.505 -9.259 1.00 1.47 H new ATOM 0 HB1 ALA A 130 1.263 10.291 -10.891 1.00 1.70 H new ATOM 0 HB2 ALA A 130 0.837 10.744 -9.224 1.00 1.70 H new ATOM 0 HB3 ALA A 130 2.272 11.454 -10.000 1.00 1.70 H new ATOM 1922 N THR A 131 3.225 8.563 -11.579 1.00 1.48 N ATOM 1923 CA THR A 131 4.055 8.414 -12.799 1.00 1.67 C ATOM 1924 C THR A 131 4.929 9.648 -13.077 1.00 2.01 C ATOM 1925 O THR A 131 6.103 9.499 -13.414 1.00 2.53 O ATOM 1926 CB THR A 131 3.134 8.032 -13.981 1.00 1.78 C ATOM 1927 OG1 THR A 131 3.891 7.707 -15.121 1.00 2.40 O ATOM 1928 CG2 THR A 131 2.132 9.122 -14.384 1.00 2.54 C ATOM 0 H THR A 131 2.261 8.271 -11.737 1.00 1.48 H new ATOM 0 HA THR A 131 4.775 7.609 -12.649 1.00 1.67 H new ATOM 0 HB THR A 131 2.567 7.175 -13.617 1.00 1.78 H new ATOM 0 HG1 THR A 131 3.289 7.467 -15.856 1.00 2.40 H new ATOM 0 HG21 THR A 131 1.527 8.769 -15.220 1.00 2.54 H new ATOM 0 HG22 THR A 131 1.484 9.351 -13.538 1.00 2.54 H new ATOM 0 HG23 THR A 131 2.672 10.021 -14.681 1.00 2.54 H new ATOM 1936 N ASP A 132 4.394 10.851 -12.832 1.00 2.11 N ATOM 1937 CA ASP A 132 5.082 12.142 -12.974 1.00 2.81 C ATOM 1938 C ASP A 132 5.609 12.700 -11.621 1.00 3.86 C ATOM 1939 O ASP A 132 5.797 13.905 -11.463 1.00 4.84 O ATOM 1940 CB ASP A 132 4.092 13.093 -13.677 1.00 3.13 C ATOM 1941 CG ASP A 132 4.716 14.392 -14.201 1.00 4.03 C ATOM 1942 OD1 ASP A 132 5.818 14.351 -14.792 1.00 4.63 O ATOM 1943 OD2 ASP A 132 4.061 15.449 -14.073 1.00 5.01 O ATOM 0 H ASP A 132 3.430 10.956 -12.516 1.00 2.11 H new ATOM 0 HA ASP A 132 5.986 12.028 -13.572 1.00 2.81 H new ATOM 0 HB2 ASP A 132 3.631 12.564 -14.512 1.00 3.13 H new ATOM 0 HB3 ASP A 132 3.293 13.345 -12.979 1.00 3.13 H new ATOM 1948 N GLY A 133 5.786 11.847 -10.600 1.00 4.05 N ATOM 1949 CA GLY A 133 6.247 12.227 -9.249 1.00 5.17 C ATOM 1950 C GLY A 133 5.238 13.060 -8.446 1.00 3.87 C ATOM 1951 O GLY A 133 5.583 13.682 -7.448 1.00 4.46 O ATOM 0 H GLY A 133 5.609 10.847 -10.690 1.00 4.05 H new ATOM 0 HA2 GLY A 133 6.479 11.321 -8.689 1.00 5.17 H new ATOM 0 HA3 GLY A 133 7.175 12.792 -9.340 1.00 5.17 H new ATOM 1955 N ARG A 134 3.979 13.099 -8.895 1.00 2.89 N ATOM 1956 CA ARG A 134 3.009 14.179 -8.640 1.00 2.80 C ATOM 1957 C ARG A 134 2.259 14.144 -7.282 1.00 2.70 C ATOM 1958 O ARG A 134 1.114 14.590 -7.207 1.00 3.38 O ATOM 1959 CB ARG A 134 2.063 14.229 -9.866 1.00 4.09 C ATOM 1960 CG ARG A 134 1.355 15.569 -10.151 1.00 5.09 C ATOM 1961 CD ARG A 134 0.456 15.429 -11.391 1.00 6.84 C ATOM 1962 NE ARG A 134 -0.424 16.606 -11.579 1.00 8.15 N ATOM 1963 CZ ARG A 134 -1.529 16.887 -10.890 1.00 9.17 C ATOM 1964 NH1 ARG A 134 -2.022 16.057 -9.997 1.00 9.32 N ATOM 1965 NH2 ARG A 134 -2.175 18.016 -11.079 1.00 10.47 N ATOM 0 H ARG A 134 3.589 12.352 -9.469 1.00 2.89 H new ATOM 0 HA ARG A 134 3.569 15.107 -8.526 1.00 2.80 H new ATOM 0 HB2 ARG A 134 2.640 13.956 -10.750 1.00 4.09 H new ATOM 0 HB3 ARG A 134 1.298 13.463 -9.735 1.00 4.09 H new ATOM 0 HG2 ARG A 134 0.758 15.866 -9.289 1.00 5.09 H new ATOM 0 HG3 ARG A 134 2.094 16.354 -10.313 1.00 5.09 H new ATOM 0 HD2 ARG A 134 1.078 15.298 -12.276 1.00 6.84 H new ATOM 0 HD3 ARG A 134 -0.155 14.532 -11.295 1.00 6.84 H new ATOM 0 HE ARG A 134 -0.157 17.267 -12.309 1.00 8.15 H new ATOM 0 HH11 ARG A 134 -1.556 15.168 -9.815 1.00 9.32 H new ATOM 0 HH12 ARG A 134 -2.870 16.302 -9.486 1.00 9.32 H new ATOM 0 HH21 ARG A 134 -1.832 18.692 -11.761 1.00 10.47 H new ATOM 0 HH22 ARG A 134 -3.020 18.216 -10.543 1.00 10.47 H new ATOM 1979 N THR A 135 2.848 13.592 -6.213 1.00 2.57 N ATOM 1980 CA THR A 135 2.296 13.508 -4.832 1.00 2.60 C ATOM 1981 C THR A 135 3.471 13.366 -3.855 1.00 1.92 C ATOM 1982 O THR A 135 4.589 13.210 -4.332 1.00 2.95 O ATOM 1983 CB THR A 135 1.227 12.400 -4.682 1.00 3.83 C ATOM 1984 OG1 THR A 135 0.308 12.470 -5.744 1.00 5.02 O ATOM 1985 CG2 THR A 135 0.379 12.513 -3.409 1.00 4.41 C ATOM 0 H THR A 135 3.772 13.166 -6.280 1.00 2.57 H new ATOM 0 HA THR A 135 1.754 14.424 -4.596 1.00 2.60 H new ATOM 0 HB THR A 135 1.797 11.471 -4.657 1.00 3.83 H new ATOM 0 HG1 THR A 135 0.290 13.382 -6.101 1.00 5.02 H new ATOM 0 HG21 THR A 135 -0.345 11.699 -3.381 1.00 4.41 H new ATOM 0 HG22 THR A 135 1.026 12.453 -2.534 1.00 4.41 H new ATOM 0 HG23 THR A 135 -0.147 13.467 -3.406 1.00 4.41 H new ATOM 1993 N LEU A 136 3.243 13.423 -2.538 1.00 1.57 N ATOM 1994 CA LEU A 136 4.239 13.103 -1.502 1.00 2.09 C ATOM 1995 C LEU A 136 3.566 12.807 -0.146 1.00 1.68 C ATOM 1996 O LEU A 136 2.668 11.969 -0.093 1.00 1.27 O ATOM 1997 CB LEU A 136 5.423 14.101 -1.499 1.00 3.70 C ATOM 1998 CG LEU A 136 5.178 15.590 -1.131 1.00 4.40 C ATOM 1999 CD1 LEU A 136 6.535 16.296 -1.017 1.00 5.60 C ATOM 2000 CD2 LEU A 136 4.313 16.348 -2.153 1.00 4.80 C ATOM 0 H LEU A 136 2.341 13.699 -2.151 1.00 1.57 H new ATOM 0 HA LEU A 136 4.728 12.161 -1.751 1.00 2.09 H new ATOM 0 HB2 LEU A 136 6.172 13.714 -0.808 1.00 3.70 H new ATOM 0 HB3 LEU A 136 5.867 14.081 -2.494 1.00 3.70 H new ATOM 0 HG LEU A 136 4.631 15.597 -0.188 1.00 4.40 H new ATOM 0 HD11 LEU A 136 6.380 17.344 -0.759 1.00 5.60 H new ATOM 0 HD12 LEU A 136 7.131 15.816 -0.241 1.00 5.60 H new ATOM 0 HD13 LEU A 136 7.060 16.231 -1.970 1.00 5.60 H new ATOM 0 HD21 LEU A 136 4.186 17.381 -1.828 1.00 4.80 H new ATOM 0 HD22 LEU A 136 4.802 16.332 -3.127 1.00 4.80 H new ATOM 0 HD23 LEU A 136 3.337 15.869 -2.230 1.00 4.80 H new ATOM 2012 N ASN A 137 3.989 13.454 0.949 1.00 2.07 N ATOM 2013 CA ASN A 137 3.379 13.405 2.283 1.00 1.78 C ATOM 2014 C ASN A 137 1.842 13.522 2.243 1.00 1.69 C ATOM 2015 O ASN A 137 1.268 14.550 1.879 1.00 2.07 O ATOM 2016 CB ASN A 137 3.986 14.502 3.175 1.00 2.00 C ATOM 2017 CG ASN A 137 3.383 14.502 4.587 1.00 2.69 C ATOM 2018 OD1 ASN A 137 3.066 13.465 5.154 1.00 3.71 O ATOM 2019 ND2 ASN A 137 3.173 15.669 5.161 1.00 2.94 N ATOM 0 H ASN A 137 4.811 14.058 0.925 1.00 2.07 H new ATOM 0 HA ASN A 137 3.601 12.425 2.706 1.00 1.78 H new ATOM 0 HB2 ASN A 137 5.064 14.358 3.242 1.00 2.00 H new ATOM 0 HB3 ASN A 137 3.823 15.475 2.712 1.00 2.00 H new ATOM 0 HD21 ASN A 137 2.743 15.713 6.085 1.00 2.94 H new ATOM 0 HD22 ASN A 137 3.440 16.529 4.681 1.00 2.94 H new ATOM 2026 N VAL A 138 1.215 12.432 2.664 1.00 1.42 N ATOM 2027 CA VAL A 138 -0.233 12.177 2.750 1.00 1.45 C ATOM 2028 C VAL A 138 -0.557 11.545 4.114 1.00 1.19 C ATOM 2029 O VAL A 138 0.280 10.861 4.710 1.00 1.20 O ATOM 2030 CB VAL A 138 -0.672 11.281 1.558 1.00 1.73 C ATOM 2031 CG1 VAL A 138 -2.031 10.584 1.738 1.00 1.81 C ATOM 2032 CG2 VAL A 138 -0.751 12.111 0.263 1.00 2.16 C ATOM 0 H VAL A 138 1.748 11.624 2.986 1.00 1.42 H new ATOM 0 HA VAL A 138 -0.794 13.109 2.679 1.00 1.45 H new ATOM 0 HB VAL A 138 0.092 10.506 1.508 1.00 1.73 H new ATOM 0 HG11 VAL A 138 -2.251 9.982 0.856 1.00 1.81 H new ATOM 0 HG12 VAL A 138 -1.996 9.940 2.617 1.00 1.81 H new ATOM 0 HG13 VAL A 138 -2.810 11.335 1.869 1.00 1.81 H new ATOM 0 HG21 VAL A 138 -1.060 11.469 -0.562 1.00 2.16 H new ATOM 0 HG22 VAL A 138 -1.477 12.914 0.389 1.00 2.16 H new ATOM 0 HG23 VAL A 138 0.228 12.538 0.044 1.00 2.16 H new ATOM 2042 N ALA A 139 -1.767 11.809 4.616 1.00 1.29 N ATOM 2043 CA ALA A 139 -2.318 11.229 5.842 1.00 1.26 C ATOM 2044 C ALA A 139 -2.943 9.844 5.580 1.00 1.27 C ATOM 2045 O ALA A 139 -3.583 9.616 4.556 1.00 1.56 O ATOM 2046 CB ALA A 139 -3.336 12.210 6.440 1.00 1.66 C ATOM 0 H ALA A 139 -2.412 12.456 4.163 1.00 1.29 H new ATOM 0 HA ALA A 139 -1.514 11.070 6.560 1.00 1.26 H new ATOM 0 HB1 ALA A 139 -3.754 11.789 7.354 1.00 1.66 H new ATOM 0 HB2 ALA A 139 -2.841 13.154 6.669 1.00 1.66 H new ATOM 0 HB3 ALA A 139 -4.137 12.385 5.722 1.00 1.66 H new ATOM 2052 N ALA A 140 -2.748 8.931 6.525 1.00 1.25 N ATOM 2053 CA ALA A 140 -3.004 7.498 6.392 1.00 1.20 C ATOM 2054 C ALA A 140 -3.378 6.876 7.744 1.00 1.06 C ATOM 2055 O ALA A 140 -3.266 7.547 8.780 1.00 1.13 O ATOM 2056 CB ALA A 140 -1.741 6.875 5.785 1.00 1.31 C ATOM 0 H ALA A 140 -2.391 9.179 7.448 1.00 1.25 H new ATOM 0 HA ALA A 140 -3.857 7.307 5.741 1.00 1.20 H new ATOM 0 HB1 ALA A 140 -1.886 5.801 5.667 1.00 1.31 H new ATOM 0 HB2 ALA A 140 -1.545 7.324 4.811 1.00 1.31 H new ATOM 0 HB3 ALA A 140 -0.893 7.056 6.445 1.00 1.31 H new ATOM 2062 N THR A 141 -3.834 5.620 7.740 1.00 1.04 N ATOM 2063 CA THR A 141 -4.540 4.988 8.869 1.00 1.12 C ATOM 2064 C THR A 141 -3.911 3.653 9.221 1.00 0.99 C ATOM 2065 O THR A 141 -3.401 2.952 8.353 1.00 0.97 O ATOM 2066 CB THR A 141 -6.021 4.788 8.524 1.00 1.46 C ATOM 2067 OG1 THR A 141 -6.496 5.972 7.927 1.00 1.52 O ATOM 2068 CG2 THR A 141 -6.876 4.510 9.763 1.00 1.77 C ATOM 0 H THR A 141 -3.723 4.999 6.939 1.00 1.04 H new ATOM 0 HA THR A 141 -4.458 5.649 9.732 1.00 1.12 H new ATOM 0 HB THR A 141 -6.097 3.928 7.859 1.00 1.46 H new ATOM 0 HG1 THR A 141 -6.382 5.917 6.955 1.00 1.52 H new ATOM 0 HG21 THR A 141 -7.916 4.376 9.465 1.00 1.77 H new ATOM 0 HG22 THR A 141 -6.520 3.605 10.255 1.00 1.77 H new ATOM 0 HG23 THR A 141 -6.802 5.351 10.452 1.00 1.77 H new ATOM 2076 N VAL A 142 -3.989 3.265 10.485 1.00 1.05 N ATOM 2077 CA VAL A 142 -3.508 1.969 10.977 1.00 0.93 C ATOM 2078 C VAL A 142 -4.704 1.199 11.551 1.00 0.90 C ATOM 2079 O VAL A 142 -5.507 1.778 12.277 1.00 1.05 O ATOM 2080 CB VAL A 142 -2.417 2.178 12.050 1.00 1.11 C ATOM 2081 CG1 VAL A 142 -1.693 0.855 12.324 1.00 1.54 C ATOM 2082 CG2 VAL A 142 -1.383 3.247 11.655 1.00 1.68 C ATOM 0 H VAL A 142 -4.395 3.848 11.217 1.00 1.05 H new ATOM 0 HA VAL A 142 -3.063 1.396 10.163 1.00 0.93 H new ATOM 0 HB VAL A 142 -2.925 2.531 12.947 1.00 1.11 H new ATOM 0 HG11 VAL A 142 -0.925 1.011 13.082 1.00 1.54 H new ATOM 0 HG12 VAL A 142 -2.410 0.115 12.680 1.00 1.54 H new ATOM 0 HG13 VAL A 142 -1.229 0.497 11.405 1.00 1.54 H new ATOM 0 HG21 VAL A 142 -0.643 3.348 12.449 1.00 1.68 H new ATOM 0 HG22 VAL A 142 -0.886 2.949 10.732 1.00 1.68 H new ATOM 0 HG23 VAL A 142 -1.886 4.202 11.504 1.00 1.68 H new ATOM 2092 N LYS A 143 -4.850 -0.083 11.188 1.00 0.97 N ATOM 2093 CA LYS A 143 -6.117 -0.829 11.337 1.00 1.30 C ATOM 2094 C LYS A 143 -5.966 -2.366 11.537 1.00 1.34 C ATOM 2095 O LYS A 143 -6.864 -3.103 11.143 1.00 2.09 O ATOM 2096 CB LYS A 143 -6.979 -0.495 10.096 1.00 1.75 C ATOM 2097 CG LYS A 143 -8.499 -0.671 10.272 1.00 2.12 C ATOM 2098 CD LYS A 143 -9.149 -0.939 8.905 1.00 2.89 C ATOM 2099 CE LYS A 143 -10.664 -1.109 9.040 1.00 3.33 C ATOM 2100 NZ LYS A 143 -11.282 -1.503 7.753 1.00 4.40 N ATOM 0 H LYS A 143 -4.095 -0.636 10.782 1.00 0.97 H new ATOM 0 HA LYS A 143 -6.593 -0.510 12.264 1.00 1.30 H new ATOM 0 HB2 LYS A 143 -6.782 0.537 9.807 1.00 1.75 H new ATOM 0 HB3 LYS A 143 -6.652 -1.125 9.269 1.00 1.75 H new ATOM 0 HG2 LYS A 143 -8.703 -1.498 10.951 1.00 2.12 H new ATOM 0 HG3 LYS A 143 -8.929 0.224 10.721 1.00 2.12 H new ATOM 0 HD2 LYS A 143 -8.931 -0.114 8.227 1.00 2.89 H new ATOM 0 HD3 LYS A 143 -8.717 -1.837 8.463 1.00 2.89 H new ATOM 0 HE2 LYS A 143 -10.881 -1.864 9.795 1.00 3.33 H new ATOM 0 HE3 LYS A 143 -11.107 -0.175 9.387 1.00 3.33 H new ATOM 0 HZ1 LYS A 143 -12.309 -1.610 7.879 1.00 4.40 H new ATOM 0 HZ2 LYS A 143 -11.095 -0.770 7.039 1.00 4.40 H new ATOM 0 HZ3 LYS A 143 -10.876 -2.406 7.435 1.00 4.40 H new ATOM 2114 N LYS A 144 -4.830 -2.831 12.093 1.00 1.74 N ATOM 2115 CA LYS A 144 -4.495 -4.204 12.570 1.00 1.79 C ATOM 2116 C LYS A 144 -3.571 -5.013 11.642 1.00 2.76 C ATOM 2117 O LYS A 144 -3.675 -4.920 10.421 1.00 3.91 O ATOM 2118 CB LYS A 144 -5.720 -5.043 13.021 1.00 2.44 C ATOM 2119 CG LYS A 144 -6.276 -6.067 11.998 1.00 3.87 C ATOM 2120 CD LYS A 144 -7.461 -6.888 12.535 1.00 4.75 C ATOM 2121 CE LYS A 144 -7.007 -7.669 13.769 1.00 5.15 C ATOM 2122 NZ LYS A 144 -7.968 -8.674 14.262 1.00 6.05 N ATOM 0 H LYS A 144 -4.042 -2.200 12.237 1.00 1.74 H new ATOM 0 HA LYS A 144 -3.909 -3.997 13.465 1.00 1.79 H new ATOM 0 HB2 LYS A 144 -5.448 -5.582 13.929 1.00 2.44 H new ATOM 0 HB3 LYS A 144 -6.524 -4.356 13.287 1.00 2.44 H new ATOM 0 HG2 LYS A 144 -6.589 -5.537 11.099 1.00 3.87 H new ATOM 0 HG3 LYS A 144 -5.476 -6.747 11.705 1.00 3.87 H new ATOM 0 HD2 LYS A 144 -8.291 -6.229 12.791 1.00 4.75 H new ATOM 0 HD3 LYS A 144 -7.823 -7.573 11.768 1.00 4.75 H new ATOM 0 HE2 LYS A 144 -6.067 -8.171 13.537 1.00 5.15 H new ATOM 0 HE3 LYS A 144 -6.801 -6.961 14.572 1.00 5.15 H new ATOM 0 HZ1 LYS A 144 -7.628 -9.066 15.163 1.00 6.05 H new ATOM 0 HZ2 LYS A 144 -8.895 -8.226 14.407 1.00 6.05 H new ATOM 0 HZ3 LYS A 144 -8.059 -9.439 13.564 1.00 6.05 H new ATOM 2136 N ASN A 145 -2.697 -5.856 12.214 1.00 3.14 N ATOM 2137 CA ASN A 145 -2.000 -6.921 11.481 1.00 4.33 C ATOM 2138 C ASN A 145 -2.761 -8.243 11.645 1.00 3.33 C ATOM 2139 O ASN A 145 -2.972 -8.720 12.751 1.00 4.17 O ATOM 2140 CB ASN A 145 -0.539 -7.051 11.952 1.00 6.38 C ATOM 2141 CG ASN A 145 0.296 -8.035 11.136 1.00 7.96 C ATOM 2142 OD1 ASN A 145 -0.164 -9.097 10.730 1.00 8.01 O ATOM 2143 ND2 ASN A 145 1.548 -7.713 10.835 1.00 9.60 N ATOM 0 H ASN A 145 -2.454 -5.816 13.204 1.00 3.14 H new ATOM 0 HA ASN A 145 -1.974 -6.664 10.422 1.00 4.33 H new ATOM 0 HB2 ASN A 145 -0.067 -6.069 11.911 1.00 6.38 H new ATOM 0 HB3 ASN A 145 -0.532 -7.364 12.996 1.00 6.38 H new ATOM 0 HD21 ASN A 145 2.116 -8.346 10.272 1.00 9.60 H new ATOM 0 HD22 ASN A 145 1.942 -6.833 11.167 1.00 9.60 H new ATOM 2150 N ILE A 146 -3.152 -8.840 10.521 1.00 2.78 N ATOM 2151 CA ILE A 146 -3.953 -10.075 10.458 1.00 2.58 C ATOM 2152 C ILE A 146 -3.280 -11.290 11.131 1.00 3.05 C ATOM 2153 O ILE A 146 -3.990 -12.175 11.589 1.00 3.47 O ATOM 2154 CB ILE A 146 -4.317 -10.314 8.973 1.00 3.17 C ATOM 2155 CG1 ILE A 146 -5.171 -9.167 8.375 1.00 4.09 C ATOM 2156 CG2 ILE A 146 -5.024 -11.657 8.734 1.00 4.53 C ATOM 2157 CD1 ILE A 146 -6.508 -8.892 9.079 1.00 5.14 C ATOM 0 H ILE A 146 -2.917 -8.473 9.599 1.00 2.78 H new ATOM 0 HA ILE A 146 -4.862 -9.949 11.045 1.00 2.58 H new ATOM 0 HB ILE A 146 -3.358 -10.339 8.456 1.00 3.17 H new ATOM 0 HG12 ILE A 146 -4.579 -8.252 8.391 1.00 4.09 H new ATOM 0 HG13 ILE A 146 -5.373 -9.397 7.329 1.00 4.09 H new ATOM 0 HG21 ILE A 146 -5.252 -11.764 7.674 1.00 4.53 H new ATOM 0 HG22 ILE A 146 -4.373 -12.472 9.049 1.00 4.53 H new ATOM 0 HG23 ILE A 146 -5.949 -11.689 9.309 1.00 4.53 H new ATOM 0 HD11 ILE A 146 -7.021 -8.071 8.578 1.00 5.14 H new ATOM 0 HD12 ILE A 146 -7.130 -9.786 9.041 1.00 5.14 H new ATOM 0 HD13 ILE A 146 -6.323 -8.623 10.119 1.00 5.14 H new ATOM 2169 N GLU A 147 -1.951 -11.315 11.239 1.00 3.42 N ATOM 2170 CA GLU A 147 -1.178 -12.393 11.873 1.00 4.25 C ATOM 2171 C GLU A 147 -1.026 -12.210 13.406 1.00 3.86 C ATOM 2172 O GLU A 147 -0.738 -13.172 14.126 1.00 4.81 O ATOM 2173 CB GLU A 147 0.202 -12.418 11.181 1.00 5.40 C ATOM 2174 CG GLU A 147 0.835 -13.811 11.078 1.00 6.45 C ATOM 2175 CD GLU A 147 2.283 -13.712 10.588 1.00 7.73 C ATOM 2176 OE1 GLU A 147 3.123 -13.286 11.407 1.00 8.29 O ATOM 2177 OE2 GLU A 147 2.605 -14.104 9.438 1.00 8.62 O ATOM 0 H GLU A 147 -1.362 -10.565 10.878 1.00 3.42 H new ATOM 0 HA GLU A 147 -1.706 -13.339 11.750 1.00 4.25 H new ATOM 0 HB2 GLU A 147 0.099 -12.004 10.178 1.00 5.40 H new ATOM 0 HB3 GLU A 147 0.881 -11.764 11.728 1.00 5.40 H new ATOM 0 HG2 GLU A 147 0.808 -14.301 12.051 1.00 6.45 H new ATOM 0 HG3 GLU A 147 0.255 -14.430 10.393 1.00 6.45 H new ATOM 2184 N GLY A 148 -1.189 -10.970 13.908 1.00 3.06 N ATOM 2185 CA GLY A 148 -1.039 -10.568 15.311 1.00 3.38 C ATOM 2186 C GLY A 148 -2.375 -10.349 16.025 1.00 3.93 C ATOM 2187 O GLY A 148 -3.133 -11.297 16.229 1.00 4.62 O ATOM 0 H GLY A 148 -1.442 -10.184 13.310 1.00 3.06 H new ATOM 0 HA2 GLY A 148 -0.472 -11.333 15.842 1.00 3.38 H new ATOM 0 HA3 GLY A 148 -0.455 -9.649 15.358 1.00 3.38 H new ATOM 2191 N ARG A 149 -2.627 -9.116 16.495 1.00 4.43 N ATOM 2192 CA ARG A 149 -3.843 -8.715 17.241 1.00 5.98 C ATOM 2193 C ARG A 149 -4.980 -8.345 16.284 1.00 7.58 C ATOM 2194 O ARG A 149 -6.097 -8.889 16.462 1.00 8.49 O ATOM 2195 CB ARG A 149 -3.512 -7.555 18.211 1.00 6.72 C ATOM 2196 CG ARG A 149 -3.945 -7.769 19.678 1.00 7.60 C ATOM 2197 CD ARG A 149 -5.446 -8.039 19.883 1.00 8.93 C ATOM 2198 NE ARG A 149 -5.913 -7.629 21.234 1.00 10.33 N ATOM 2199 CZ ARG A 149 -6.783 -8.264 22.004 1.00 11.35 C ATOM 2200 NH1 ARG A 149 -7.110 -9.510 21.854 1.00 11.24 N ATOM 2201 NH2 ARG A 149 -7.337 -7.645 22.999 1.00 12.77 N ATOM 2202 OXT ARG A 149 -4.726 -7.534 15.373 1.00 8.38 O ATOM 0 H ARG A 149 -1.974 -8.344 16.365 1.00 4.43 H new ATOM 0 HA ARG A 149 -4.187 -9.564 17.832 1.00 5.98 H new ATOM 0 HB2 ARG A 149 -2.436 -7.383 18.190 1.00 6.72 H new ATOM 0 HB3 ARG A 149 -3.987 -6.647 17.839 1.00 6.72 H new ATOM 0 HG2 ARG A 149 -3.382 -8.607 20.088 1.00 7.60 H new ATOM 0 HG3 ARG A 149 -3.668 -6.886 20.255 1.00 7.60 H new ATOM 0 HD2 ARG A 149 -6.016 -7.502 19.125 1.00 8.93 H new ATOM 0 HD3 ARG A 149 -5.645 -9.101 19.739 1.00 8.93 H new ATOM 0 HE ARG A 149 -5.521 -6.765 21.608 1.00 10.33 H new ATOM 0 HH11 ARG A 149 -6.689 -10.061 21.106 1.00 11.24 H new ATOM 0 HH12 ARG A 149 -7.788 -9.939 22.484 1.00 11.24 H new ATOM 0 HH21 ARG A 149 -7.102 -6.670 23.188 1.00 12.77 H new ATOM 0 HH22 ARG A 149 -8.007 -8.132 23.593 1.00 12.77 H new TER 2216 ARG A 149