USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 849 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 110 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 114 HIS : no HE2:sc= 0.0951 K(o=0.095,f=-1.6) USER MOD Set 2.1: A 39 TYR OH : rot -132:sc= 0.727 USER MOD Set 2.2: A 91 GLN : amide:sc= 0.563 K(o=1.3,f=-1.3) USER MOD Set 3.1: A 69 SER OG : rot 150:sc= 0.998 USER MOD Set 3.2: A 87 LYS NZ :NH3+ -156:sc= 1.98 (180deg=0.468) USER MOD Set 4.1: A 27 THR OG1 : rot 74:sc= 1.24 USER MOD Set 4.2: A 74 MET CE :methyl 160:sc= -1.31 (180deg=-2.24) USER MOD Set 5.1: A 19 ASN : amide:sc= 1.75 K(o=2.7,f=-3.2!) USER MOD Set 5.2: A 80 ASN : amide:sc= 0.989 K(o=2.7,f=-3.3) USER MOD Set 6.1: A 5 THR OG1 : rot -71:sc= 1.25 USER MOD Set 6.2: A 14 THR OG1 : rot 180:sc= 1.03 USER MOD Set 7.1: A 1 MET N :NH3+ -160:sc= 1.24 (180deg=-0.0544) USER MOD Set 7.2: A 17 ASN : amide:sc= -0.261 K(o=0.98,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 155:sc= -1.3! (180deg=-3.65!) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 156:sc= 0.959 (180deg=-1.43!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 95:sc= 1.21 USER MOD Single : A 18 TYR OH : rot -142:sc= 2.19 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0979 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.15 K(o=1.2,f=-0.0082) USER MOD Single : A 29 GLN : amide:sc= -0.446 K(o=-0.45,f=-2.7) USER MOD Single : A 32 GLN : amide:sc= -1.01! C(o=-1!,f=-12!) USER MOD Single : A 33 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.66) USER MOD Single : A 35 GLN : amide:sc= 0.0842 X(o=0.084,f=-0.099) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= 1.75 (180deg=1.74) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.327 K(o=-0.33,f=-1.3) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= 1.04 (180deg=0.96) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0871 USER MOD Single : A 60 SER OG : rot 84:sc= 0.823 USER MOD Single : A 62 SER OG : rot 180:sc= 0.151 USER MOD Single : A 64 SER OG : rot 45:sc= 0.944 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.932 K(o=0.93,f=-0.075) USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= 0.99 (180deg=-0.146) USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= 0.727 (180deg=0.22) USER MOD Single : A 79 ASN : amide:sc= -0.101 K(o=-0.1,f=-2.4!) USER MOD Single : A 82 THR OG1 : rot 76:sc= 0.114 USER MOD Single : A 85 SER OG : rot 180:sc= -0.113 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -161:sc= -0.363! USER MOD Single : A 93 ASN : amide:sc= -1.16! C(o=-1.2!,f=-13!) USER MOD Single : A 94 SER OG : rot 180:sc= -0.171 USER MOD Single : A 97 SER OG : rot 75:sc= 1.01 USER MOD Single : A 98 SER OG : rot 75:sc= 1.24 USER MOD Single : A 107 ASN : amide:sc=-0.00824 X(o=-0.0082,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.574 K(o=0.57,f=-4.1!) USER MOD Single : A 113 THR OG1 : rot 5:sc= 0.583 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.882 -7.549 5.343 1.00 13.12 N ATOM 2 CA MET A 1 -15.626 -8.939 4.949 1.00 22.22 C ATOM 3 C MET A 1 -14.217 -9.027 4.445 1.00 1.13 C ATOM 4 O MET A 1 -13.691 -8.032 3.968 1.00 53.00 O ATOM 5 CB MET A 1 -16.593 -9.384 3.841 1.00 0.51 C ATOM 6 CG MET A 1 -18.059 -9.403 4.244 1.00 74.00 C ATOM 7 SD MET A 1 -19.130 -9.892 2.885 1.00 23.20 S ATOM 8 CE MET A 1 -20.744 -9.834 3.671 1.00 20.22 C ATOM 0 H1 MET A 1 -16.694 -7.516 5.992 1.00 13.12 H new ATOM 0 H2 MET A 1 -15.042 -7.163 5.820 1.00 13.12 H new ATOM 0 H3 MET A 1 -16.092 -6.981 4.497 1.00 13.12 H new ATOM 0 HA MET A 1 -15.774 -9.592 5.809 1.00 22.22 H new ATOM 0 HB2 MET A 1 -16.474 -8.719 2.986 1.00 0.51 H new ATOM 0 HB3 MET A 1 -16.309 -10.383 3.510 1.00 0.51 H new ATOM 0 HG2 MET A 1 -18.196 -10.091 5.078 1.00 74.00 H new ATOM 0 HG3 MET A 1 -18.350 -8.413 4.596 1.00 74.00 H new ATOM 0 HE1 MET A 1 -21.511 -10.114 2.949 1.00 20.22 H new ATOM 0 HE2 MET A 1 -20.765 -10.529 4.510 1.00 20.22 H new ATOM 0 HE3 MET A 1 -20.937 -8.824 4.032 1.00 20.22 H new ATOM 17 N ASP A 2 -13.609 -10.184 4.590 1.00 51.23 N ATOM 18 CA ASP A 2 -12.245 -10.438 4.136 1.00 10.02 C ATOM 19 C ASP A 2 -11.994 -11.896 4.090 1.00 25.11 C ATOM 20 O ASP A 2 -12.561 -12.647 4.890 1.00 50.32 O ATOM 21 CB ASP A 2 -11.157 -9.843 5.102 1.00 33.22 C ATOM 22 CG ASP A 2 -9.755 -10.523 4.903 1.00 54.25 C ATOM 23 OD1 ASP A 2 -9.017 -10.150 3.960 1.00 43.33 O ATOM 24 OD2 ASP A 2 -9.454 -11.549 5.608 1.00 22.34 O ATOM 0 H ASP A 2 -14.048 -10.991 5.032 1.00 51.23 H new ATOM 0 HA ASP A 2 -12.166 -9.965 3.157 1.00 10.02 H new ATOM 0 HB2 ASP A 2 -11.067 -8.771 4.929 1.00 33.22 H new ATOM 0 HB3 ASP A 2 -11.479 -9.974 6.135 1.00 33.22 H new ATOM 29 N LYS A 3 -11.217 -12.293 3.124 1.00 63.43 N ATOM 30 CA LYS A 3 -10.508 -13.509 3.196 1.00 75.52 C ATOM 31 C LYS A 3 -9.322 -13.436 2.284 1.00 2.51 C ATOM 32 O LYS A 3 -9.147 -14.236 1.379 1.00 24.30 O ATOM 33 CB LYS A 3 -11.311 -14.809 3.062 1.00 41.31 C ATOM 34 CG LYS A 3 -10.595 -15.992 3.765 1.00 3.13 C ATOM 35 CD LYS A 3 -10.804 -16.043 5.328 1.00 4.15 C ATOM 36 CE LYS A 3 -10.553 -14.707 6.095 1.00 52.11 C ATOM 37 NZ LYS A 3 -9.166 -14.153 5.952 1.00 45.11 N ATOM 0 H LYS A 3 -11.066 -11.768 2.263 1.00 63.43 H new ATOM 0 HA LYS A 3 -10.182 -13.598 4.232 1.00 75.52 H new ATOM 0 HB2 LYS A 3 -12.302 -14.673 3.495 1.00 41.31 H new ATOM 0 HB3 LYS A 3 -11.454 -15.043 2.007 1.00 41.31 H new ATOM 0 HG2 LYS A 3 -10.952 -16.926 3.332 1.00 3.13 H new ATOM 0 HG3 LYS A 3 -9.527 -15.931 3.555 1.00 3.13 H new ATOM 0 HD2 LYS A 3 -11.825 -16.367 5.528 1.00 4.15 H new ATOM 0 HD3 LYS A 3 -10.141 -16.805 5.739 1.00 4.15 H new ATOM 0 HE2 LYS A 3 -11.265 -13.962 5.742 1.00 52.11 H new ATOM 0 HE3 LYS A 3 -10.758 -14.867 7.153 1.00 52.11 H new ATOM 0 HZ1 LYS A 3 -9.186 -13.124 6.105 1.00 45.11 H new ATOM 0 HZ2 LYS A 3 -8.541 -14.596 6.656 1.00 45.11 H new ATOM 0 HZ3 LYS A 3 -8.809 -14.354 4.996 1.00 45.11 H new ATOM 51 N GLY A 4 -8.532 -12.409 2.508 1.00 1.13 N ATOM 52 CA GLY A 4 -7.383 -12.195 1.707 1.00 2.22 C ATOM 53 C GLY A 4 -6.169 -11.775 2.497 1.00 10.10 C ATOM 54 O GLY A 4 -5.157 -11.396 1.895 1.00 51.25 O ATOM 0 H GLY A 4 -8.678 -11.717 3.243 1.00 1.13 H new ATOM 0 HA2 GLY A 4 -7.153 -13.111 1.163 1.00 2.22 H new ATOM 0 HA3 GLY A 4 -7.606 -11.430 0.963 1.00 2.22 H new ATOM 58 N THR A 5 -6.252 -11.836 3.813 1.00 21.14 N ATOM 59 CA THR A 5 -5.118 -11.526 4.657 1.00 21.25 C ATOM 60 C THR A 5 -4.168 -12.711 4.657 1.00 50.22 C ATOM 61 O THR A 5 -4.518 -13.812 5.110 1.00 4.40 O ATOM 62 CB THR A 5 -5.576 -11.261 6.104 1.00 20.10 C ATOM 63 OG1 THR A 5 -6.656 -10.338 6.093 1.00 35.03 O ATOM 64 CG2 THR A 5 -4.436 -10.693 6.946 1.00 53.13 C ATOM 0 H THR A 5 -7.097 -12.099 4.320 1.00 21.14 H new ATOM 0 HA THR A 5 -4.624 -10.634 4.271 1.00 21.25 H new ATOM 0 HB THR A 5 -5.892 -12.207 6.544 1.00 20.10 H new ATOM 0 HG1 THR A 5 -6.325 -9.450 5.843 1.00 35.03 H new ATOM 0 HG21 THR A 5 -4.788 -10.516 7.962 1.00 53.13 H new ATOM 0 HG22 THR A 5 -3.610 -11.404 6.967 1.00 53.13 H new ATOM 0 HG23 THR A 5 -4.095 -9.753 6.511 1.00 53.13 H new ATOM 72 N GLN A 6 -3.000 -12.492 4.114 1.00 60.30 N ATOM 73 CA GLN A 6 -2.009 -13.508 4.000 1.00 43.33 C ATOM 74 C GLN A 6 -0.653 -12.850 4.135 1.00 10.14 C ATOM 75 O GLN A 6 -0.424 -11.760 3.610 1.00 42.54 O ATOM 76 CB GLN A 6 -2.103 -14.114 2.623 1.00 71.04 C ATOM 77 CG GLN A 6 -1.436 -15.463 2.449 1.00 53.10 C ATOM 78 CD GLN A 6 -1.590 -15.982 1.030 1.00 71.12 C ATOM 79 OE1 GLN A 6 -2.568 -15.684 0.341 1.00 43.45 O ATOM 80 NE2 GLN A 6 -0.634 -16.754 0.581 1.00 35.51 N ATOM 0 H GLN A 6 -2.714 -11.589 3.736 1.00 60.30 H new ATOM 0 HA GLN A 6 -2.150 -14.273 4.763 1.00 43.33 H new ATOM 0 HB2 GLN A 6 -3.157 -14.214 2.362 1.00 71.04 H new ATOM 0 HB3 GLN A 6 -1.663 -13.418 1.909 1.00 71.04 H new ATOM 0 HG2 GLN A 6 -0.377 -15.381 2.694 1.00 53.10 H new ATOM 0 HG3 GLN A 6 -1.871 -16.178 3.148 1.00 53.10 H new ATOM 0 HE21 GLN A 6 0.161 -16.981 1.178 1.00 35.51 H new ATOM 0 HE22 GLN A 6 -0.684 -17.129 -0.366 1.00 35.51 H new ATOM 89 N TYR A 7 0.197 -13.477 4.851 1.00 75.12 N ATOM 90 CA TYR A 7 1.553 -13.028 5.032 1.00 63.35 C ATOM 91 C TYR A 7 2.515 -14.120 4.601 1.00 70.25 C ATOM 92 O TYR A 7 2.324 -15.288 4.966 1.00 31.14 O ATOM 93 CB TYR A 7 1.815 -12.550 6.486 1.00 52.33 C ATOM 94 CG TYR A 7 1.515 -13.569 7.581 1.00 62.10 C ATOM 95 CD1 TYR A 7 0.229 -13.711 8.094 1.00 54.42 C ATOM 96 CD2 TYR A 7 2.520 -14.375 8.109 1.00 52.23 C ATOM 97 CE1 TYR A 7 -0.048 -14.623 9.092 1.00 60.05 C ATOM 98 CE2 TYR A 7 2.250 -15.292 9.108 1.00 62.12 C ATOM 99 CZ TYR A 7 0.965 -15.411 9.595 1.00 11.14 C ATOM 100 OH TYR A 7 0.691 -16.319 10.591 1.00 64.51 O ATOM 0 H TYR A 7 -0.019 -14.341 5.348 1.00 75.12 H new ATOM 0 HA TYR A 7 1.721 -12.157 4.398 1.00 63.35 H new ATOM 0 HB2 TYR A 7 2.860 -12.253 6.568 1.00 52.33 H new ATOM 0 HB3 TYR A 7 1.215 -11.659 6.670 1.00 52.33 H new ATOM 0 HD1 TYR A 7 -0.568 -13.095 7.703 1.00 54.42 H new ATOM 0 HD2 TYR A 7 3.528 -14.282 7.732 1.00 52.23 H new ATOM 0 HE1 TYR A 7 -1.053 -14.719 9.477 1.00 60.05 H new ATOM 0 HE2 TYR A 7 3.041 -15.912 9.505 1.00 62.12 H new ATOM 0 HH TYR A 7 1.512 -16.796 10.834 1.00 64.51 H new ATOM 110 N LYS A 8 3.501 -13.792 3.810 1.00 3.12 N ATOM 111 CA LYS A 8 4.481 -14.783 3.425 1.00 32.41 C ATOM 112 C LYS A 8 5.802 -14.091 3.139 1.00 20.42 C ATOM 113 O LYS A 8 5.874 -13.259 2.269 1.00 3.22 O ATOM 114 CB LYS A 8 3.983 -15.534 2.164 1.00 41.45 C ATOM 115 CG LYS A 8 4.751 -16.810 1.738 1.00 42.14 C ATOM 116 CD LYS A 8 4.582 -17.980 2.731 1.00 70.24 C ATOM 117 CE LYS A 8 5.710 -18.066 3.762 1.00 64.15 C ATOM 118 NZ LYS A 8 6.998 -18.472 3.145 1.00 4.31 N ATOM 0 H LYS A 8 3.650 -12.861 3.422 1.00 3.12 H new ATOM 0 HA LYS A 8 4.623 -15.503 4.231 1.00 32.41 H new ATOM 0 HB2 LYS A 8 2.941 -15.808 2.326 1.00 41.45 H new ATOM 0 HB3 LYS A 8 4.003 -14.835 1.328 1.00 41.45 H new ATOM 0 HG2 LYS A 8 4.404 -17.124 0.754 1.00 42.14 H new ATOM 0 HG3 LYS A 8 5.811 -16.574 1.642 1.00 42.14 H new ATOM 0 HD2 LYS A 8 3.631 -17.871 3.252 1.00 70.24 H new ATOM 0 HD3 LYS A 8 4.535 -18.916 2.174 1.00 70.24 H new ATOM 0 HE2 LYS A 8 5.830 -17.098 4.249 1.00 64.15 H new ATOM 0 HE3 LYS A 8 5.438 -18.782 4.538 1.00 64.15 H new ATOM 0 HZ1 LYS A 8 7.786 -18.139 3.736 1.00 4.31 H new ATOM 0 HZ2 LYS A 8 7.035 -19.509 3.070 1.00 4.31 H new ATOM 0 HZ3 LYS A 8 7.076 -18.053 2.196 1.00 4.31 H new ATOM 132 N ASP A 9 6.818 -14.440 3.918 1.00 72.44 N ATOM 133 CA ASP A 9 8.230 -13.975 3.761 1.00 24.34 C ATOM 134 C ASP A 9 8.343 -12.452 3.621 1.00 54.13 C ATOM 135 O ASP A 9 9.212 -11.941 2.930 1.00 14.20 O ATOM 136 CB ASP A 9 8.886 -14.659 2.548 1.00 64.44 C ATOM 137 CG ASP A 9 8.701 -16.151 2.573 1.00 43.41 C ATOM 138 OD1 ASP A 9 9.024 -16.806 3.594 1.00 22.31 O ATOM 139 OD2 ASP A 9 8.085 -16.701 1.628 1.00 5.33 O ATOM 0 H ASP A 9 6.700 -15.074 4.708 1.00 72.44 H new ATOM 0 HA ASP A 9 8.755 -14.255 4.674 1.00 24.34 H new ATOM 0 HB2 ASP A 9 8.458 -14.256 1.630 1.00 64.44 H new ATOM 0 HB3 ASP A 9 9.951 -14.426 2.533 1.00 64.44 H new ATOM 144 N GLY A 10 7.509 -11.733 4.343 1.00 54.34 N ATOM 145 CA GLY A 10 7.564 -10.290 4.302 1.00 73.02 C ATOM 146 C GLY A 10 6.547 -9.688 3.349 1.00 40.31 C ATOM 147 O GLY A 10 6.275 -8.478 3.408 1.00 72.22 O ATOM 0 H GLY A 10 6.793 -12.120 4.958 1.00 54.34 H new ATOM 0 HA2 GLY A 10 7.393 -9.896 5.304 1.00 73.02 H new ATOM 0 HA3 GLY A 10 8.565 -9.978 4.003 1.00 73.02 H new ATOM 151 N TYR A 11 6.001 -10.507 2.476 1.00 10.40 N ATOM 152 CA TYR A 11 4.994 -10.075 1.528 1.00 32.32 C ATOM 153 C TYR A 11 3.677 -10.042 2.294 1.00 34.30 C ATOM 154 O TYR A 11 3.309 -11.032 2.952 1.00 74.34 O ATOM 155 CB TYR A 11 4.930 -11.080 0.359 1.00 34.45 C ATOM 156 CG TYR A 11 4.296 -10.570 -0.918 1.00 23.30 C ATOM 157 CD1 TYR A 11 2.921 -10.507 -1.077 1.00 73.34 C ATOM 158 CD2 TYR A 11 5.094 -10.171 -1.980 1.00 0.51 C ATOM 159 CE1 TYR A 11 2.361 -10.054 -2.262 1.00 55.32 C ATOM 160 CE2 TYR A 11 4.543 -9.717 -3.160 1.00 12.34 C ATOM 161 CZ TYR A 11 3.178 -9.660 -3.296 1.00 0.53 C ATOM 162 OH TYR A 11 2.633 -9.212 -4.476 1.00 52.30 O ATOM 0 H TYR A 11 6.243 -11.495 2.403 1.00 10.40 H new ATOM 0 HA TYR A 11 5.217 -9.095 1.106 1.00 32.32 H new ATOM 0 HB2 TYR A 11 5.944 -11.409 0.132 1.00 34.45 H new ATOM 0 HB3 TYR A 11 4.377 -11.959 0.691 1.00 34.45 H new ATOM 0 HD1 TYR A 11 2.277 -10.815 -0.267 1.00 73.34 H new ATOM 0 HD2 TYR A 11 6.168 -10.217 -1.881 1.00 0.51 H new ATOM 0 HE1 TYR A 11 1.288 -10.011 -2.373 1.00 55.32 H new ATOM 0 HE2 TYR A 11 5.182 -9.408 -3.973 1.00 12.34 H new ATOM 0 HH TYR A 11 3.351 -8.973 -5.098 1.00 52.30 H new ATOM 172 N TYR A 12 3.000 -8.927 2.247 1.00 31.24 N ATOM 173 CA TYR A 12 1.812 -8.738 3.048 1.00 12.52 C ATOM 174 C TYR A 12 0.614 -8.472 2.153 1.00 72.24 C ATOM 175 O TYR A 12 0.647 -7.574 1.304 1.00 61.32 O ATOM 176 CB TYR A 12 2.039 -7.564 4.014 1.00 21.32 C ATOM 177 CG TYR A 12 0.964 -7.374 5.067 1.00 0.12 C ATOM 178 CD1 TYR A 12 1.028 -8.056 6.274 1.00 64.21 C ATOM 179 CD2 TYR A 12 -0.098 -6.499 4.865 1.00 51.02 C ATOM 180 CE1 TYR A 12 0.069 -7.875 7.250 1.00 31.12 C ATOM 181 CE2 TYR A 12 -1.061 -6.315 5.835 1.00 75.21 C ATOM 182 CZ TYR A 12 -0.973 -7.003 7.025 1.00 20.41 C ATOM 183 OH TYR A 12 -1.927 -6.815 7.996 1.00 14.30 O ATOM 0 H TYR A 12 3.249 -8.130 1.661 1.00 31.24 H new ATOM 0 HA TYR A 12 1.610 -9.641 3.624 1.00 12.52 H new ATOM 0 HB2 TYR A 12 2.995 -7.708 4.517 1.00 21.32 H new ATOM 0 HB3 TYR A 12 2.120 -6.646 3.432 1.00 21.32 H new ATOM 0 HD1 TYR A 12 1.843 -8.741 6.453 1.00 64.21 H new ATOM 0 HD2 TYR A 12 -0.170 -5.955 3.935 1.00 51.02 H new ATOM 0 HE1 TYR A 12 0.135 -8.414 8.184 1.00 31.12 H new ATOM 0 HE2 TYR A 12 -1.881 -5.634 5.662 1.00 75.21 H new ATOM 0 HH TYR A 12 -2.592 -6.168 7.680 1.00 14.30 H new ATOM 193 N ILE A 13 -0.412 -9.269 2.310 1.00 4.11 N ATOM 194 CA ILE A 13 -1.631 -9.127 1.552 1.00 72.40 C ATOM 195 C ILE A 13 -2.802 -9.086 2.534 1.00 51.42 C ATOM 196 O ILE A 13 -2.795 -9.828 3.506 1.00 61.01 O ATOM 197 CB ILE A 13 -1.848 -10.341 0.599 1.00 24.12 C ATOM 198 CG1 ILE A 13 -0.585 -10.646 -0.211 1.00 42.40 C ATOM 199 CG2 ILE A 13 -2.997 -10.050 -0.347 1.00 72.55 C ATOM 200 CD1 ILE A 13 -0.693 -11.883 -1.086 1.00 20.54 C ATOM 0 H ILE A 13 -0.426 -10.043 2.974 1.00 4.11 H new ATOM 0 HA ILE A 13 -1.567 -8.216 0.956 1.00 72.40 H new ATOM 0 HB ILE A 13 -2.081 -11.213 1.211 1.00 24.12 H new ATOM 0 HG12 ILE A 13 -0.354 -9.787 -0.841 1.00 42.40 H new ATOM 0 HG13 ILE A 13 0.252 -10.772 0.475 1.00 42.40 H new ATOM 0 HG21 ILE A 13 -3.146 -10.901 -1.012 1.00 72.55 H new ATOM 0 HG22 ILE A 13 -3.906 -9.876 0.228 1.00 72.55 H new ATOM 0 HG23 ILE A 13 -2.766 -9.164 -0.938 1.00 72.55 H new ATOM 0 HD11 ILE A 13 0.242 -12.029 -1.626 1.00 20.54 H new ATOM 0 HD12 ILE A 13 -0.891 -12.754 -0.462 1.00 20.54 H new ATOM 0 HD13 ILE A 13 -1.508 -11.754 -1.799 1.00 20.54 H new ATOM 212 N THR A 14 -3.755 -8.202 2.324 1.00 71.41 N ATOM 213 CA THR A 14 -4.958 -8.183 3.141 1.00 23.14 C ATOM 214 C THR A 14 -6.068 -7.447 2.398 1.00 23.42 C ATOM 215 O THR A 14 -5.790 -6.690 1.456 1.00 71.34 O ATOM 216 CB THR A 14 -4.719 -7.578 4.571 1.00 43.43 C ATOM 217 OG1 THR A 14 -5.865 -7.814 5.404 1.00 11.11 O ATOM 218 CG2 THR A 14 -4.448 -6.079 4.513 1.00 72.43 C ATOM 0 H THR A 14 -3.724 -7.487 1.597 1.00 71.41 H new ATOM 0 HA THR A 14 -5.262 -9.216 3.309 1.00 23.14 H new ATOM 0 HB THR A 14 -3.842 -8.071 4.989 1.00 43.43 H new ATOM 0 HG1 THR A 14 -5.706 -7.435 6.294 1.00 11.11 H new ATOM 0 HG21 THR A 14 -4.288 -5.699 5.522 1.00 72.43 H new ATOM 0 HG22 THR A 14 -3.559 -5.893 3.910 1.00 72.43 H new ATOM 0 HG23 THR A 14 -5.303 -5.572 4.066 1.00 72.43 H new ATOM 226 N THR A 15 -7.294 -7.691 2.766 1.00 54.24 N ATOM 227 CA THR A 15 -8.402 -7.051 2.131 1.00 4.45 C ATOM 228 C THR A 15 -8.902 -5.906 3.008 1.00 3.21 C ATOM 229 O THR A 15 -9.119 -6.066 4.204 1.00 21.13 O ATOM 230 CB THR A 15 -9.544 -8.047 1.900 1.00 34.50 C ATOM 231 OG1 THR A 15 -8.988 -9.290 1.442 1.00 40.24 O ATOM 232 CG2 THR A 15 -10.525 -7.523 0.855 1.00 24.24 C ATOM 0 H THR A 15 -7.549 -8.338 3.513 1.00 54.24 H new ATOM 0 HA THR A 15 -8.072 -6.665 1.167 1.00 4.45 H new ATOM 0 HB THR A 15 -10.082 -8.188 2.838 1.00 34.50 H new ATOM 0 HG1 THR A 15 -8.860 -9.892 2.205 1.00 40.24 H new ATOM 0 HG21 THR A 15 -11.325 -8.249 0.711 1.00 24.24 H new ATOM 0 HG22 THR A 15 -10.949 -6.579 1.196 1.00 24.24 H new ATOM 0 HG23 THR A 15 -10.002 -7.367 -0.089 1.00 24.24 H new ATOM 240 N LEU A 16 -9.047 -4.767 2.417 1.00 41.43 N ATOM 241 CA LEU A 16 -9.562 -3.617 3.075 1.00 72.24 C ATOM 242 C LEU A 16 -10.959 -3.413 2.559 1.00 25.51 C ATOM 243 O LEU A 16 -11.159 -3.263 1.360 1.00 34.10 O ATOM 244 CB LEU A 16 -8.692 -2.399 2.740 1.00 52.34 C ATOM 245 CG LEU A 16 -7.241 -2.446 3.228 1.00 12.33 C ATOM 246 CD1 LEU A 16 -6.488 -1.200 2.787 1.00 73.42 C ATOM 247 CD2 LEU A 16 -7.194 -2.587 4.743 1.00 21.21 C ATOM 0 H LEU A 16 -8.804 -4.608 1.439 1.00 41.43 H new ATOM 0 HA LEU A 16 -9.562 -3.745 4.158 1.00 72.24 H new ATOM 0 HB2 LEU A 16 -8.685 -2.271 1.658 1.00 52.34 H new ATOM 0 HB3 LEU A 16 -9.166 -1.513 3.162 1.00 52.34 H new ATOM 0 HG LEU A 16 -6.757 -3.316 2.784 1.00 12.33 H new ATOM 0 HD11 LEU A 16 -5.459 -1.252 3.143 1.00 73.42 H new ATOM 0 HD12 LEU A 16 -6.493 -1.138 1.699 1.00 73.42 H new ATOM 0 HD13 LEU A 16 -6.972 -0.316 3.203 1.00 73.42 H new ATOM 0 HD21 LEU A 16 -6.156 -2.619 5.073 1.00 21.21 H new ATOM 0 HD22 LEU A 16 -7.695 -1.736 5.203 1.00 21.21 H new ATOM 0 HD23 LEU A 16 -7.697 -3.508 5.039 1.00 21.21 H new ATOM 259 N ASN A 17 -11.923 -3.400 3.429 1.00 64.21 N ATOM 260 CA ASN A 17 -13.308 -3.291 2.994 1.00 62.54 C ATOM 261 C ASN A 17 -13.684 -1.822 2.882 1.00 70.11 C ATOM 262 O ASN A 17 -14.561 -1.326 3.580 1.00 74.40 O ATOM 263 CB ASN A 17 -14.240 -4.062 3.957 1.00 63.53 C ATOM 264 CG ASN A 17 -15.641 -4.396 3.394 1.00 11.11 C ATOM 265 OD1 ASN A 17 -16.197 -5.456 3.728 1.00 24.34 O ATOM 266 ND2 ASN A 17 -16.234 -3.526 2.610 1.00 54.21 N ATOM 0 H ASN A 17 -11.792 -3.462 4.439 1.00 64.21 H new ATOM 0 HA ASN A 17 -13.425 -3.746 2.011 1.00 62.54 H new ATOM 0 HB2 ASN A 17 -13.750 -4.993 4.243 1.00 63.53 H new ATOM 0 HB3 ASN A 17 -14.363 -3.474 4.866 1.00 63.53 H new ATOM 0 HD21 ASN A 17 -17.174 -3.713 2.260 1.00 54.21 H new ATOM 0 HD22 ASN A 17 -15.755 -2.663 2.351 1.00 54.21 H new ATOM 273 N TYR A 18 -12.968 -1.136 2.029 1.00 52.14 N ATOM 274 CA TYR A 18 -13.162 0.266 1.782 1.00 65.23 C ATOM 275 C TYR A 18 -13.044 0.490 0.283 1.00 63.41 C ATOM 276 O TYR A 18 -12.412 -0.320 -0.419 1.00 11.01 O ATOM 277 CB TYR A 18 -12.116 1.118 2.545 1.00 54.54 C ATOM 278 CG TYR A 18 -12.085 0.888 4.054 1.00 33.30 C ATOM 279 CD1 TYR A 18 -12.962 1.543 4.905 1.00 35.41 C ATOM 280 CD2 TYR A 18 -11.182 -0.005 4.615 1.00 72.15 C ATOM 281 CE1 TYR A 18 -12.938 1.308 6.270 1.00 12.44 C ATOM 282 CE2 TYR A 18 -11.147 -0.244 5.972 1.00 2.21 C ATOM 283 CZ TYR A 18 -12.025 0.413 6.796 1.00 22.31 C ATOM 284 OH TYR A 18 -12.013 0.165 8.150 1.00 65.10 O ATOM 0 H TYR A 18 -12.217 -1.548 1.475 1.00 52.14 H new ATOM 0 HA TYR A 18 -14.145 0.575 2.138 1.00 65.23 H new ATOM 0 HB2 TYR A 18 -11.127 0.905 2.138 1.00 54.54 H new ATOM 0 HB3 TYR A 18 -12.318 2.172 2.356 1.00 54.54 H new ATOM 0 HD1 TYR A 18 -13.674 2.246 4.498 1.00 35.41 H new ATOM 0 HD2 TYR A 18 -10.489 -0.526 3.971 1.00 72.15 H new ATOM 0 HE1 TYR A 18 -13.630 1.822 6.921 1.00 12.44 H new ATOM 0 HE2 TYR A 18 -10.434 -0.943 6.383 1.00 2.21 H new ATOM 0 HH TYR A 18 -11.087 0.063 8.456 1.00 65.10 H new ATOM 294 N ASN A 19 -13.620 1.571 -0.198 1.00 20.12 N ATOM 295 CA ASN A 19 -13.682 1.863 -1.633 1.00 65.45 C ATOM 296 C ASN A 19 -12.291 2.149 -2.212 1.00 70.41 C ATOM 297 O ASN A 19 -11.502 2.892 -1.623 1.00 22.13 O ATOM 298 CB ASN A 19 -14.623 3.053 -1.901 1.00 52.24 C ATOM 299 CG ASN A 19 -14.757 3.394 -3.384 1.00 73.23 C ATOM 300 OD1 ASN A 19 -13.957 4.147 -3.932 1.00 22.11 O ATOM 301 ND2 ASN A 19 -15.779 2.885 -4.029 1.00 34.32 N ATOM 0 H ASN A 19 -14.062 2.280 0.388 1.00 20.12 H new ATOM 0 HA ASN A 19 -14.077 0.978 -2.131 1.00 65.45 H new ATOM 0 HB2 ASN A 19 -15.609 2.826 -1.497 1.00 52.24 H new ATOM 0 HB3 ASN A 19 -14.253 3.928 -1.366 1.00 52.24 H new ATOM 0 HD21 ASN A 19 -15.926 3.112 -5.013 1.00 34.32 H new ATOM 0 HD22 ASN A 19 -16.427 2.262 -3.547 1.00 34.32 H new ATOM 308 N PHE A 20 -12.029 1.555 -3.369 1.00 32.34 N ATOM 309 CA PHE A 20 -10.749 1.646 -4.088 1.00 50.42 C ATOM 310 C PHE A 20 -10.250 3.090 -4.272 1.00 3.33 C ATOM 311 O PHE A 20 -9.062 3.358 -4.131 1.00 51.40 O ATOM 312 CB PHE A 20 -10.877 0.926 -5.446 1.00 1.14 C ATOM 313 CG PHE A 20 -9.649 0.950 -6.323 1.00 63.32 C ATOM 314 CD1 PHE A 20 -8.648 0.011 -6.160 1.00 74.21 C ATOM 315 CD2 PHE A 20 -9.510 1.898 -7.328 1.00 0.21 C ATOM 316 CE1 PHE A 20 -7.536 0.014 -6.971 1.00 42.15 C ATOM 317 CE2 PHE A 20 -8.399 1.904 -8.145 1.00 13.25 C ATOM 318 CZ PHE A 20 -7.412 0.960 -7.965 1.00 52.32 C ATOM 0 H PHE A 20 -12.716 0.978 -3.854 1.00 32.34 H new ATOM 0 HA PHE A 20 -9.994 1.154 -3.474 1.00 50.42 H new ATOM 0 HB2 PHE A 20 -11.147 -0.114 -5.260 1.00 1.14 H new ATOM 0 HB3 PHE A 20 -11.703 1.376 -5.998 1.00 1.14 H new ATOM 0 HD1 PHE A 20 -8.740 -0.736 -5.385 1.00 74.21 H new ATOM 0 HD2 PHE A 20 -10.282 2.640 -7.472 1.00 0.21 H new ATOM 0 HE1 PHE A 20 -6.761 -0.725 -6.828 1.00 42.15 H new ATOM 0 HE2 PHE A 20 -8.303 2.646 -8.923 1.00 13.25 H new ATOM 0 HZ PHE A 20 -6.541 0.961 -8.603 1.00 52.32 H new ATOM 328 N ASN A 21 -11.150 4.013 -4.549 1.00 70.14 N ATOM 329 CA ASN A 21 -10.748 5.401 -4.791 1.00 33.01 C ATOM 330 C ASN A 21 -10.202 6.048 -3.515 1.00 60.44 C ATOM 331 O ASN A 21 -9.136 6.678 -3.528 1.00 32.52 O ATOM 332 CB ASN A 21 -11.917 6.233 -5.360 1.00 45.03 C ATOM 333 CG ASN A 21 -11.531 7.683 -5.670 1.00 72.33 C ATOM 334 OD1 ASN A 21 -10.398 7.983 -6.008 1.00 64.03 O ATOM 335 ND2 ASN A 21 -12.482 8.582 -5.563 1.00 3.44 N ATOM 0 H ASN A 21 -12.153 3.840 -4.614 1.00 70.14 H new ATOM 0 HA ASN A 21 -9.951 5.384 -5.534 1.00 33.01 H new ATOM 0 HB2 ASN A 21 -12.283 5.759 -6.271 1.00 45.03 H new ATOM 0 HB3 ASN A 21 -12.740 6.228 -4.645 1.00 45.03 H new ATOM 0 HD21 ASN A 21 -12.283 9.562 -5.765 1.00 3.44 H new ATOM 0 HD22 ASN A 21 -13.420 8.301 -5.278 1.00 3.44 H new ATOM 342 N THR A 22 -10.900 5.857 -2.407 1.00 5.35 N ATOM 343 CA THR A 22 -10.479 6.476 -1.171 1.00 1.23 C ATOM 344 C THR A 22 -9.182 5.833 -0.634 1.00 41.31 C ATOM 345 O THR A 22 -8.277 6.546 -0.179 1.00 43.24 O ATOM 346 CB THR A 22 -11.623 6.552 -0.084 1.00 44.43 C ATOM 347 OG1 THR A 22 -11.192 7.309 1.053 1.00 2.43 O ATOM 348 CG2 THR A 22 -12.076 5.179 0.384 1.00 11.33 C ATOM 0 H THR A 22 -11.744 5.289 -2.342 1.00 5.35 H new ATOM 0 HA THR A 22 -10.250 7.515 -1.406 1.00 1.23 H new ATOM 0 HB THR A 22 -12.468 7.044 -0.565 1.00 44.43 H new ATOM 0 HG1 THR A 22 -11.914 7.346 1.714 1.00 2.43 H new ATOM 0 HG21 THR A 22 -12.863 5.290 1.130 1.00 11.33 H new ATOM 0 HG22 THR A 22 -12.459 4.613 -0.465 1.00 11.33 H new ATOM 0 HG23 THR A 22 -11.232 4.648 0.823 1.00 11.33 H new ATOM 356 N VAL A 23 -9.053 4.501 -0.758 1.00 35.42 N ATOM 357 CA VAL A 23 -7.872 3.832 -0.286 1.00 30.32 C ATOM 358 C VAL A 23 -6.653 4.192 -1.126 1.00 72.40 C ATOM 359 O VAL A 23 -5.561 4.345 -0.583 1.00 32.24 O ATOM 360 CB VAL A 23 -8.029 2.290 -0.188 1.00 1.24 C ATOM 361 CG1 VAL A 23 -9.121 1.902 0.779 1.00 1.42 C ATOM 362 CG2 VAL A 23 -8.266 1.657 -1.531 1.00 43.04 C ATOM 0 H VAL A 23 -9.753 3.890 -1.178 1.00 35.42 H new ATOM 0 HA VAL A 23 -7.719 4.194 0.731 1.00 30.32 H new ATOM 0 HB VAL A 23 -7.083 1.908 0.195 1.00 1.24 H new ATOM 0 HG11 VAL A 23 -9.201 0.816 0.821 1.00 1.42 H new ATOM 0 HG12 VAL A 23 -8.882 2.287 1.771 1.00 1.42 H new ATOM 0 HG13 VAL A 23 -10.069 2.323 0.445 1.00 1.42 H new ATOM 0 HG21 VAL A 23 -8.369 0.578 -1.412 1.00 43.04 H new ATOM 0 HG22 VAL A 23 -9.178 2.063 -1.969 1.00 43.04 H new ATOM 0 HG23 VAL A 23 -7.422 1.870 -2.188 1.00 43.04 H new ATOM 372 N TYR A 24 -6.843 4.371 -2.444 1.00 30.23 N ATOM 373 CA TYR A 24 -5.742 4.740 -3.323 1.00 42.14 C ATOM 374 C TYR A 24 -5.162 6.071 -2.904 1.00 3.04 C ATOM 375 O TYR A 24 -3.949 6.195 -2.712 1.00 41.41 O ATOM 376 CB TYR A 24 -6.198 4.802 -4.800 1.00 63.43 C ATOM 377 CG TYR A 24 -5.144 5.354 -5.755 1.00 54.40 C ATOM 378 CD1 TYR A 24 -4.048 4.592 -6.133 1.00 53.31 C ATOM 379 CD2 TYR A 24 -5.243 6.649 -6.257 1.00 41.30 C ATOM 380 CE1 TYR A 24 -3.082 5.098 -6.984 1.00 30.31 C ATOM 381 CE2 TYR A 24 -4.282 7.163 -7.105 1.00 64.13 C ATOM 382 CZ TYR A 24 -3.205 6.383 -7.466 1.00 23.35 C ATOM 383 OH TYR A 24 -2.241 6.892 -8.307 1.00 35.34 O ATOM 0 H TYR A 24 -7.743 4.265 -2.912 1.00 30.23 H new ATOM 0 HA TYR A 24 -4.974 3.971 -3.238 1.00 42.14 H new ATOM 0 HB2 TYR A 24 -6.478 3.800 -5.125 1.00 63.43 H new ATOM 0 HB3 TYR A 24 -7.093 5.420 -4.867 1.00 63.43 H new ATOM 0 HD1 TYR A 24 -3.947 3.585 -5.756 1.00 53.31 H new ATOM 0 HD2 TYR A 24 -6.087 7.263 -5.978 1.00 41.30 H new ATOM 0 HE1 TYR A 24 -2.236 4.490 -7.269 1.00 30.31 H new ATOM 0 HE2 TYR A 24 -4.374 8.170 -7.483 1.00 64.13 H new ATOM 0 HH TYR A 24 -2.477 7.810 -8.558 1.00 35.34 H new ATOM 393 N ASN A 25 -6.036 7.026 -2.675 1.00 31.10 N ATOM 394 CA ASN A 25 -5.637 8.355 -2.281 1.00 3.05 C ATOM 395 C ASN A 25 -4.990 8.356 -0.915 1.00 2.25 C ATOM 396 O ASN A 25 -3.946 8.960 -0.721 1.00 63.14 O ATOM 397 CB ASN A 25 -6.818 9.333 -2.332 1.00 42.30 C ATOM 398 CG ASN A 25 -7.170 9.785 -3.745 1.00 51.44 C ATOM 399 OD1 ASN A 25 -6.649 10.777 -4.231 1.00 35.14 O ATOM 400 ND2 ASN A 25 -8.054 9.074 -4.407 1.00 64.32 N ATOM 0 H ASN A 25 -7.045 6.901 -2.757 1.00 31.10 H new ATOM 0 HA ASN A 25 -4.892 8.696 -3.000 1.00 3.05 H new ATOM 0 HB2 ASN A 25 -7.691 8.861 -1.882 1.00 42.30 H new ATOM 0 HB3 ASN A 25 -6.582 10.208 -1.727 1.00 42.30 H new ATOM 0 HD21 ASN A 25 -8.322 9.346 -5.353 1.00 64.32 H new ATOM 0 HD22 ASN A 25 -8.472 8.250 -3.975 1.00 64.32 H new ATOM 407 N ALA A 26 -5.580 7.626 0.015 1.00 13.51 N ATOM 408 CA ALA A 26 -5.083 7.577 1.383 1.00 45.15 C ATOM 409 C ALA A 26 -3.727 6.869 1.482 1.00 12.24 C ATOM 410 O ALA A 26 -2.873 7.287 2.255 1.00 13.45 O ATOM 411 CB ALA A 26 -6.097 6.934 2.302 1.00 2.32 C ATOM 0 H ALA A 26 -6.409 7.055 -0.152 1.00 13.51 H new ATOM 0 HA ALA A 26 -4.929 8.607 1.705 1.00 45.15 H new ATOM 0 HB1 ALA A 26 -5.703 6.909 3.318 1.00 2.32 H new ATOM 0 HB2 ALA A 26 -7.021 7.512 2.285 1.00 2.32 H new ATOM 0 HB3 ALA A 26 -6.299 5.917 1.966 1.00 2.32 H new ATOM 417 N THR A 27 -3.546 5.805 0.723 1.00 22.43 N ATOM 418 CA THR A 27 -2.268 5.102 0.688 1.00 34.10 C ATOM 419 C THR A 27 -1.214 6.019 0.085 1.00 40.52 C ATOM 420 O THR A 27 -0.126 6.184 0.639 1.00 50.24 O ATOM 421 CB THR A 27 -2.349 3.821 -0.171 1.00 62.40 C ATOM 422 OG1 THR A 27 -3.442 3.005 0.259 1.00 15.33 O ATOM 423 CG2 THR A 27 -1.054 3.014 -0.074 1.00 63.45 C ATOM 0 H THR A 27 -4.265 5.405 0.120 1.00 22.43 H new ATOM 0 HA THR A 27 -2.009 4.822 1.709 1.00 34.10 H new ATOM 0 HB THR A 27 -2.501 4.124 -1.207 1.00 62.40 H new ATOM 0 HG1 THR A 27 -4.286 3.407 -0.036 1.00 15.33 H new ATOM 0 HG21 THR A 27 -1.137 2.117 -0.688 1.00 63.45 H new ATOM 0 HG22 THR A 27 -0.220 3.620 -0.428 1.00 63.45 H new ATOM 0 HG23 THR A 27 -0.880 2.729 0.963 1.00 63.45 H new ATOM 431 N LEU A 28 -1.581 6.644 -1.029 1.00 53.43 N ATOM 432 CA LEU A 28 -0.720 7.554 -1.745 1.00 30.32 C ATOM 433 C LEU A 28 -0.275 8.707 -0.850 1.00 72.41 C ATOM 434 O LEU A 28 0.905 8.938 -0.707 1.00 23.35 O ATOM 435 CB LEU A 28 -1.463 8.070 -2.988 1.00 64.14 C ATOM 436 CG LEU A 28 -0.870 9.271 -3.727 1.00 54.33 C ATOM 437 CD1 LEU A 28 0.466 8.925 -4.359 1.00 71.34 C ATOM 438 CD2 LEU A 28 -1.846 9.790 -4.770 1.00 25.35 C ATOM 0 H LEU A 28 -2.499 6.525 -1.458 1.00 53.43 H new ATOM 0 HA LEU A 28 0.181 7.027 -2.058 1.00 30.32 H new ATOM 0 HB2 LEU A 28 -1.541 7.246 -3.697 1.00 64.14 H new ATOM 0 HB3 LEU A 28 -2.478 8.330 -2.687 1.00 64.14 H new ATOM 0 HG LEU A 28 -0.694 10.062 -2.998 1.00 54.33 H new ATOM 0 HD11 LEU A 28 0.861 9.799 -4.876 1.00 71.34 H new ATOM 0 HD12 LEU A 28 1.166 8.615 -3.583 1.00 71.34 H new ATOM 0 HD13 LEU A 28 0.331 8.112 -5.072 1.00 71.34 H new ATOM 0 HD21 LEU A 28 -1.407 10.644 -5.286 1.00 25.35 H new ATOM 0 HD22 LEU A 28 -2.061 9.002 -5.492 1.00 25.35 H new ATOM 0 HD23 LEU A 28 -2.771 10.097 -4.282 1.00 25.35 H new ATOM 450 N GLN A 29 -1.217 9.359 -0.201 1.00 2.23 N ATOM 451 CA GLN A 29 -0.913 10.490 0.669 1.00 41.10 C ATOM 452 C GLN A 29 -0.017 10.061 1.842 1.00 25.11 C ATOM 453 O GLN A 29 0.918 10.765 2.207 1.00 24.04 O ATOM 454 CB GLN A 29 -2.225 11.201 1.130 1.00 2.11 C ATOM 455 CG GLN A 29 -3.111 10.449 2.118 1.00 42.34 C ATOM 456 CD GLN A 29 -2.670 10.573 3.573 1.00 73.13 C ATOM 457 OE1 GLN A 29 -2.106 11.568 3.978 1.00 61.41 O ATOM 458 NE2 GLN A 29 -2.899 9.545 4.350 1.00 74.35 N ATOM 0 H GLN A 29 -2.209 9.127 -0.257 1.00 2.23 H new ATOM 0 HA GLN A 29 -0.342 11.225 0.102 1.00 41.10 H new ATOM 0 HB2 GLN A 29 -1.953 12.156 1.579 1.00 2.11 H new ATOM 0 HB3 GLN A 29 -2.819 11.423 0.244 1.00 2.11 H new ATOM 0 HG2 GLN A 29 -4.132 10.818 2.027 1.00 42.34 H new ATOM 0 HG3 GLN A 29 -3.128 9.394 1.844 1.00 42.34 H new ATOM 0 HE21 GLN A 29 -3.376 8.722 3.980 1.00 74.35 H new ATOM 0 HE22 GLN A 29 -2.601 9.566 5.325 1.00 74.35 H new ATOM 467 N ALA A 30 -0.259 8.858 2.357 1.00 61.24 N ATOM 468 CA ALA A 30 0.476 8.337 3.497 1.00 5.22 C ATOM 469 C ALA A 30 1.965 8.249 3.206 1.00 13.43 C ATOM 470 O ALA A 30 2.799 8.711 3.992 1.00 55.41 O ATOM 471 CB ALA A 30 -0.051 6.953 3.874 1.00 73.43 C ATOM 0 H ALA A 30 -0.969 8.222 1.994 1.00 61.24 H new ATOM 0 HA ALA A 30 0.329 9.027 4.328 1.00 5.22 H new ATOM 0 HB1 ALA A 30 0.507 6.572 4.729 1.00 73.43 H new ATOM 0 HB2 ALA A 30 -1.108 7.024 4.132 1.00 73.43 H new ATOM 0 HB3 ALA A 30 0.071 6.275 3.030 1.00 73.43 H new ATOM 477 N ILE A 31 2.292 7.691 2.078 1.00 24.24 N ATOM 478 CA ILE A 31 3.673 7.505 1.724 1.00 72.14 C ATOM 479 C ILE A 31 4.268 8.734 1.004 1.00 11.23 C ATOM 480 O ILE A 31 5.321 9.235 1.379 1.00 3.21 O ATOM 481 CB ILE A 31 3.853 6.194 0.884 1.00 22.22 C ATOM 482 CG1 ILE A 31 5.283 6.037 0.377 1.00 31.21 C ATOM 483 CG2 ILE A 31 2.853 6.108 -0.262 1.00 2.01 C ATOM 484 CD1 ILE A 31 5.513 4.767 -0.417 1.00 20.00 C ATOM 0 H ILE A 31 1.623 7.356 1.385 1.00 24.24 H new ATOM 0 HA ILE A 31 4.237 7.396 2.650 1.00 72.14 H new ATOM 0 HB ILE A 31 3.649 5.362 1.558 1.00 22.22 H new ATOM 0 HG12 ILE A 31 5.534 6.895 -0.247 1.00 31.21 H new ATOM 0 HG13 ILE A 31 5.964 6.051 1.228 1.00 31.21 H new ATOM 0 HG21 ILE A 31 3.014 5.184 -0.817 1.00 2.01 H new ATOM 0 HG22 ILE A 31 1.839 6.119 0.138 1.00 2.01 H new ATOM 0 HG23 ILE A 31 2.989 6.960 -0.928 1.00 2.01 H new ATOM 0 HD11 ILE A 31 6.552 4.725 -0.744 1.00 20.00 H new ATOM 0 HD12 ILE A 31 5.295 3.902 0.209 1.00 20.00 H new ATOM 0 HD13 ILE A 31 4.858 4.759 -1.288 1.00 20.00 H new ATOM 496 N GLN A 32 3.526 9.260 0.052 1.00 61.43 N ATOM 497 CA GLN A 32 4.001 10.310 -0.834 1.00 1.55 C ATOM 498 C GLN A 32 4.060 11.680 -0.154 1.00 62.55 C ATOM 499 O GLN A 32 4.832 12.547 -0.548 1.00 73.21 O ATOM 500 CB GLN A 32 3.122 10.357 -2.086 1.00 23.03 C ATOM 501 CG GLN A 32 3.661 11.180 -3.235 1.00 31.41 C ATOM 502 CD GLN A 32 4.960 10.608 -3.825 1.00 2.14 C ATOM 503 OE1 GLN A 32 5.748 9.977 -3.139 1.00 50.54 O ATOM 504 NE2 GLN A 32 5.182 10.819 -5.096 1.00 1.54 N ATOM 0 H GLN A 32 2.566 8.970 -0.133 1.00 61.43 H new ATOM 0 HA GLN A 32 5.026 10.068 -1.114 1.00 1.55 H new ATOM 0 HB2 GLN A 32 2.965 9.337 -2.436 1.00 23.03 H new ATOM 0 HB3 GLN A 32 2.145 10.752 -1.807 1.00 23.03 H new ATOM 0 HG2 GLN A 32 2.906 11.237 -4.019 1.00 31.41 H new ATOM 0 HG3 GLN A 32 3.842 12.199 -2.892 1.00 31.41 H new ATOM 0 HE21 GLN A 32 4.509 11.349 -5.650 1.00 1.54 H new ATOM 0 HE22 GLN A 32 6.028 10.453 -5.534 1.00 1.54 H new ATOM 513 N ASN A 33 3.237 11.887 0.843 1.00 54.35 N ATOM 514 CA ASN A 33 3.221 13.172 1.532 1.00 4.04 C ATOM 515 C ASN A 33 4.010 13.100 2.813 1.00 12.22 C ATOM 516 O ASN A 33 3.944 13.997 3.651 1.00 4.31 O ATOM 517 CB ASN A 33 1.795 13.671 1.782 1.00 14.13 C ATOM 518 CG ASN A 33 1.029 13.997 0.495 1.00 31.15 C ATOM 519 OD1 ASN A 33 -0.179 13.863 0.432 1.00 41.13 O ATOM 520 ND2 ASN A 33 1.727 14.430 -0.538 1.00 55.50 N ATOM 0 H ASN A 33 2.574 11.199 1.199 1.00 54.35 H new ATOM 0 HA ASN A 33 3.700 13.901 0.878 1.00 4.04 H new ATOM 0 HB2 ASN A 33 1.246 12.913 2.341 1.00 14.13 H new ATOM 0 HB3 ASN A 33 1.835 14.562 2.408 1.00 14.13 H new ATOM 0 HD21 ASN A 33 1.255 14.660 -1.412 1.00 55.50 H new ATOM 0 HD22 ASN A 33 2.739 14.535 -0.462 1.00 55.50 H new ATOM 527 N GLY A 34 4.757 12.021 2.948 1.00 51.44 N ATOM 528 CA GLY A 34 5.659 11.846 4.059 1.00 4.45 C ATOM 529 C GLY A 34 4.963 11.728 5.387 1.00 43.51 C ATOM 530 O GLY A 34 5.427 12.272 6.380 1.00 73.53 O ATOM 0 H GLY A 34 4.752 11.244 2.288 1.00 51.44 H new ATOM 0 HA2 GLY A 34 6.259 10.951 3.892 1.00 4.45 H new ATOM 0 HA3 GLY A 34 6.348 12.690 4.093 1.00 4.45 H new ATOM 534 N GLN A 35 3.849 11.024 5.412 1.00 42.33 N ATOM 535 CA GLN A 35 3.132 10.816 6.660 1.00 45.24 C ATOM 536 C GLN A 35 3.780 9.659 7.401 1.00 4.21 C ATOM 537 O GLN A 35 3.607 9.480 8.603 1.00 41.13 O ATOM 538 CB GLN A 35 1.648 10.546 6.410 1.00 13.45 C ATOM 539 CG GLN A 35 0.920 11.661 5.658 1.00 72.15 C ATOM 540 CD GLN A 35 0.994 13.007 6.366 1.00 54.51 C ATOM 541 OE1 GLN A 35 0.158 13.329 7.197 1.00 74.33 O ATOM 542 NE2 GLN A 35 1.977 13.811 6.024 1.00 35.34 N ATOM 0 H GLN A 35 3.422 10.589 4.594 1.00 42.33 H new ATOM 0 HA GLN A 35 3.190 11.720 7.267 1.00 45.24 H new ATOM 0 HB2 GLN A 35 1.550 9.619 5.844 1.00 13.45 H new ATOM 0 HB3 GLN A 35 1.154 10.388 7.369 1.00 13.45 H new ATOM 0 HG2 GLN A 35 1.349 11.758 4.660 1.00 72.15 H new ATOM 0 HG3 GLN A 35 -0.126 11.382 5.530 1.00 72.15 H new ATOM 0 HE21 GLN A 35 2.660 13.514 5.327 1.00 35.34 H new ATOM 0 HE22 GLN A 35 2.057 14.732 6.456 1.00 35.34 H new ATOM 551 N THR A 36 4.513 8.869 6.656 1.00 4.11 N ATOM 552 CA THR A 36 5.284 7.815 7.195 1.00 42.41 C ATOM 553 C THR A 36 6.595 7.730 6.403 1.00 65.03 C ATOM 554 O THR A 36 6.598 7.771 5.167 1.00 74.41 O ATOM 555 CB THR A 36 4.492 6.458 7.187 1.00 34.44 C ATOM 556 OG1 THR A 36 5.267 5.407 7.767 1.00 22.01 O ATOM 557 CG2 THR A 36 4.044 6.052 5.782 1.00 50.20 C ATOM 0 H THR A 36 4.581 8.955 5.642 1.00 4.11 H new ATOM 0 HA THR A 36 5.510 8.016 8.242 1.00 42.41 H new ATOM 0 HB THR A 36 3.598 6.621 7.789 1.00 34.44 H new ATOM 0 HG1 THR A 36 4.751 4.574 7.752 1.00 22.01 H new ATOM 0 HG21 THR A 36 3.501 5.108 5.832 1.00 50.20 H new ATOM 0 HG22 THR A 36 3.393 6.823 5.371 1.00 50.20 H new ATOM 0 HG23 THR A 36 4.918 5.935 5.141 1.00 50.20 H new ATOM 565 N PHE A 37 7.692 7.722 7.114 1.00 73.41 N ATOM 566 CA PHE A 37 9.006 7.616 6.529 1.00 22.01 C ATOM 567 C PHE A 37 9.731 6.467 7.185 1.00 51.33 C ATOM 568 O PHE A 37 9.357 6.061 8.290 1.00 32.54 O ATOM 569 CB PHE A 37 9.802 8.941 6.670 1.00 74.44 C ATOM 570 CG PHE A 37 10.016 9.418 8.091 1.00 23.34 C ATOM 571 CD1 PHE A 37 9.064 10.201 8.727 1.00 62.21 C ATOM 572 CD2 PHE A 37 11.174 9.086 8.785 1.00 71.21 C ATOM 573 CE1 PHE A 37 9.258 10.639 10.022 1.00 11.34 C ATOM 574 CE2 PHE A 37 11.374 9.523 10.080 1.00 55.35 C ATOM 575 CZ PHE A 37 10.415 10.300 10.698 1.00 15.52 C ATOM 0 H PHE A 37 7.699 7.790 8.132 1.00 73.41 H new ATOM 0 HA PHE A 37 8.912 7.426 5.460 1.00 22.01 H new ATOM 0 HB2 PHE A 37 10.775 8.813 6.196 1.00 74.44 H new ATOM 0 HB3 PHE A 37 9.278 9.721 6.117 1.00 74.44 H new ATOM 0 HD1 PHE A 37 8.159 10.472 8.203 1.00 62.21 H new ATOM 0 HD2 PHE A 37 11.927 8.478 8.305 1.00 71.21 H new ATOM 0 HE1 PHE A 37 8.507 11.246 10.506 1.00 11.34 H new ATOM 0 HE2 PHE A 37 12.278 9.257 10.608 1.00 55.35 H new ATOM 0 HZ PHE A 37 10.569 10.643 11.710 1.00 15.52 H new ATOM 585 N ASP A 38 10.747 5.946 6.543 1.00 13.10 N ATOM 586 CA ASP A 38 11.486 4.844 7.129 1.00 21.22 C ATOM 587 C ASP A 38 12.675 5.385 7.914 1.00 62.24 C ATOM 588 O ASP A 38 13.225 6.439 7.574 1.00 72.24 O ATOM 589 CB ASP A 38 11.976 3.888 6.045 1.00 24.45 C ATOM 590 CG ASP A 38 12.612 2.643 6.621 1.00 24.12 C ATOM 591 OD1 ASP A 38 13.815 2.641 6.914 1.00 1.53 O ATOM 592 OD2 ASP A 38 11.916 1.648 6.777 1.00 65.23 O ATOM 0 H ASP A 38 11.081 6.257 5.631 1.00 13.10 H new ATOM 0 HA ASP A 38 10.823 4.297 7.800 1.00 21.22 H new ATOM 0 HB2 ASP A 38 11.138 3.604 5.409 1.00 24.45 H new ATOM 0 HB3 ASP A 38 12.698 4.402 5.410 1.00 24.45 H new ATOM 597 N TYR A 39 13.083 4.654 8.930 1.00 10.53 N ATOM 598 CA TYR A 39 14.180 5.048 9.806 1.00 50.32 C ATOM 599 C TYR A 39 15.554 4.996 9.132 1.00 64.25 C ATOM 600 O TYR A 39 16.506 5.591 9.624 1.00 50.42 O ATOM 601 CB TYR A 39 14.160 4.267 11.132 1.00 1.42 C ATOM 602 CG TYR A 39 14.191 2.759 10.988 1.00 63.32 C ATOM 603 CD1 TYR A 39 15.395 2.066 10.940 1.00 71.55 C ATOM 604 CD2 TYR A 39 13.012 2.029 10.911 1.00 11.33 C ATOM 605 CE1 TYR A 39 15.419 0.693 10.815 1.00 2.11 C ATOM 606 CE2 TYR A 39 13.030 0.659 10.790 1.00 43.13 C ATOM 607 CZ TYR A 39 14.236 -0.004 10.741 1.00 71.11 C ATOM 608 OH TYR A 39 14.254 -1.367 10.615 1.00 44.42 O ATOM 0 H TYR A 39 12.662 3.759 9.178 1.00 10.53 H new ATOM 0 HA TYR A 39 14.009 6.099 10.038 1.00 50.32 H new ATOM 0 HB2 TYR A 39 15.016 4.577 11.732 1.00 1.42 H new ATOM 0 HB3 TYR A 39 13.264 4.546 11.687 1.00 1.42 H new ATOM 0 HD1 TYR A 39 16.325 2.611 11.002 1.00 71.55 H new ATOM 0 HD2 TYR A 39 12.065 2.546 10.947 1.00 11.33 H new ATOM 0 HE1 TYR A 39 16.362 0.168 10.775 1.00 2.11 H new ATOM 0 HE2 TYR A 39 12.104 0.106 10.734 1.00 43.13 H new ATOM 0 HH TYR A 39 13.651 -1.637 9.891 1.00 44.42 H new ATOM 618 N LYS A 40 15.661 4.312 8.000 1.00 33.35 N ATOM 619 CA LYS A 40 16.901 4.228 7.299 1.00 43.23 C ATOM 620 C LYS A 40 17.038 5.441 6.348 1.00 22.13 C ATOM 621 O LYS A 40 18.045 5.606 5.659 1.00 43.12 O ATOM 622 CB LYS A 40 16.906 2.867 6.540 1.00 72.23 C ATOM 623 CG LYS A 40 17.922 2.738 5.437 1.00 45.00 C ATOM 624 CD LYS A 40 17.938 1.361 4.763 1.00 63.01 C ATOM 625 CE LYS A 40 16.576 0.954 4.211 1.00 73.25 C ATOM 626 NZ LYS A 40 16.576 -0.411 3.628 1.00 72.41 N ATOM 0 H LYS A 40 14.890 3.811 7.559 1.00 33.35 H new ATOM 0 HA LYS A 40 17.758 4.262 7.972 1.00 43.23 H new ATOM 0 HB2 LYS A 40 17.079 2.070 7.263 1.00 72.23 H new ATOM 0 HB3 LYS A 40 15.915 2.705 6.117 1.00 72.23 H new ATOM 0 HG2 LYS A 40 17.722 3.499 4.682 1.00 45.00 H new ATOM 0 HG3 LYS A 40 18.912 2.944 5.843 1.00 45.00 H new ATOM 0 HD2 LYS A 40 18.666 1.368 3.952 1.00 63.01 H new ATOM 0 HD3 LYS A 40 18.271 0.613 5.483 1.00 63.01 H new ATOM 0 HE2 LYS A 40 15.836 1.003 5.010 1.00 73.25 H new ATOM 0 HE3 LYS A 40 16.270 1.670 3.448 1.00 73.25 H new ATOM 0 HZ1 LYS A 40 15.631 -0.628 3.253 1.00 72.41 H new ATOM 0 HZ2 LYS A 40 17.273 -0.460 2.858 1.00 72.41 H new ATOM 0 HZ3 LYS A 40 16.824 -1.103 4.364 1.00 72.41 H new ATOM 640 N SER A 41 16.044 6.340 6.414 1.00 60.44 N ATOM 641 CA SER A 41 16.011 7.584 5.638 1.00 34.04 C ATOM 642 C SER A 41 16.191 7.335 4.119 1.00 63.13 C ATOM 643 O SER A 41 16.586 8.224 3.366 1.00 72.35 O ATOM 644 CB SER A 41 17.066 8.545 6.190 1.00 72.25 C ATOM 645 OG SER A 41 16.867 8.739 7.589 1.00 71.52 O ATOM 0 H SER A 41 15.230 6.219 7.017 1.00 60.44 H new ATOM 0 HA SER A 41 15.026 8.037 5.745 1.00 34.04 H new ATOM 0 HB2 SER A 41 18.064 8.145 6.009 1.00 72.25 H new ATOM 0 HB3 SER A 41 17.006 9.501 5.670 1.00 72.25 H new ATOM 0 HG SER A 41 17.548 9.354 7.934 1.00 71.52 H new ATOM 651 N ASN A 42 15.841 6.130 3.690 1.00 14.01 N ATOM 652 CA ASN A 42 15.916 5.739 2.298 1.00 31.32 C ATOM 653 C ASN A 42 14.769 6.379 1.548 1.00 53.04 C ATOM 654 O ASN A 42 13.721 6.625 2.163 1.00 23.33 O ATOM 655 CB ASN A 42 15.832 4.202 2.138 1.00 21.44 C ATOM 656 CG ASN A 42 14.524 3.591 2.636 1.00 64.35 C ATOM 657 OD1 ASN A 42 14.415 3.241 3.796 1.00 0.05 O ATOM 658 ND2 ASN A 42 13.544 3.440 1.768 1.00 0.33 N ATOM 0 H ASN A 42 15.495 5.395 4.306 1.00 14.01 H new ATOM 0 HA ASN A 42 16.873 6.071 1.897 1.00 31.32 H new ATOM 0 HB2 ASN A 42 15.960 3.950 1.085 1.00 21.44 H new ATOM 0 HB3 ASN A 42 16.662 3.746 2.678 1.00 21.44 H new ATOM 0 HD21 ASN A 42 12.663 3.019 2.062 1.00 0.33 H new ATOM 0 HD22 ASN A 42 13.667 3.744 0.802 1.00 0.33 H new ATOM 665 N PRO A 43 14.959 6.749 0.256 1.00 21.31 N ATOM 666 CA PRO A 43 13.866 7.245 -0.599 1.00 4.23 C ATOM 667 C PRO A 43 12.657 6.311 -0.519 1.00 22.25 C ATOM 668 O PRO A 43 12.695 5.167 -0.990 1.00 70.53 O ATOM 669 CB PRO A 43 14.473 7.216 -1.999 1.00 53.33 C ATOM 670 CG PRO A 43 15.925 7.423 -1.776 1.00 65.32 C ATOM 671 CD PRO A 43 16.251 6.759 -0.461 1.00 40.32 C ATOM 0 HA PRO A 43 13.509 8.233 -0.308 1.00 4.23 H new ATOM 0 HB2 PRO A 43 14.279 6.266 -2.497 1.00 53.33 H new ATOM 0 HB3 PRO A 43 14.052 7.998 -2.631 1.00 53.33 H new ATOM 0 HG2 PRO A 43 16.509 6.987 -2.587 1.00 65.32 H new ATOM 0 HG3 PRO A 43 16.166 8.486 -1.745 1.00 65.32 H new ATOM 0 HD2 PRO A 43 16.636 5.750 -0.607 1.00 40.32 H new ATOM 0 HD3 PRO A 43 17.011 7.313 0.090 1.00 40.32 H new ATOM 679 N TYR A 44 11.690 6.742 0.254 1.00 20.44 N ATOM 680 CA TYR A 44 10.450 6.031 0.474 1.00 63.12 C ATOM 681 C TYR A 44 9.379 6.629 -0.405 1.00 50.21 C ATOM 682 O TYR A 44 8.268 6.148 -0.462 1.00 41.00 O ATOM 683 CB TYR A 44 10.056 6.100 1.929 1.00 14.01 C ATOM 684 CG TYR A 44 9.048 5.058 2.384 1.00 41.40 C ATOM 685 CD1 TYR A 44 9.345 3.704 2.312 1.00 61.12 C ATOM 686 CD2 TYR A 44 7.818 5.431 2.910 1.00 12.15 C ATOM 687 CE1 TYR A 44 8.447 2.751 2.743 1.00 61.21 C ATOM 688 CE2 TYR A 44 6.911 4.481 3.344 1.00 13.23 C ATOM 689 CZ TYR A 44 7.230 3.143 3.258 1.00 71.15 C ATOM 690 OH TYR A 44 6.326 2.190 3.693 1.00 52.04 O ATOM 0 H TYR A 44 11.744 7.624 0.764 1.00 20.44 H new ATOM 0 HA TYR A 44 10.578 4.980 0.215 1.00 63.12 H new ATOM 0 HB2 TYR A 44 10.956 5.999 2.536 1.00 14.01 H new ATOM 0 HB3 TYR A 44 9.645 7.089 2.130 1.00 14.01 H new ATOM 0 HD1 TYR A 44 10.298 3.391 1.911 1.00 61.12 H new ATOM 0 HD2 TYR A 44 7.566 6.479 2.981 1.00 12.15 H new ATOM 0 HE1 TYR A 44 8.696 1.702 2.677 1.00 61.21 H new ATOM 0 HE2 TYR A 44 5.957 4.786 3.748 1.00 13.23 H new ATOM 0 HH TYR A 44 5.519 2.634 4.028 1.00 52.04 H new ATOM 700 N ASP A 45 9.739 7.672 -1.092 1.00 24.24 N ATOM 701 CA ASP A 45 8.836 8.425 -1.910 1.00 70.12 C ATOM 702 C ASP A 45 8.624 7.709 -3.226 1.00 52.04 C ATOM 703 O ASP A 45 9.510 7.012 -3.740 1.00 21.43 O ATOM 704 CB ASP A 45 9.407 9.832 -2.137 1.00 54.33 C ATOM 705 CG ASP A 45 10.832 9.805 -2.676 1.00 71.22 C ATOM 706 OD1 ASP A 45 11.753 9.390 -1.898 1.00 74.12 O ATOM 707 OD2 ASP A 45 11.045 10.196 -3.835 1.00 4.35 O ATOM 0 H ASP A 45 10.693 8.032 -1.099 1.00 24.24 H new ATOM 0 HA ASP A 45 7.872 8.517 -1.411 1.00 70.12 H new ATOM 0 HB2 ASP A 45 8.768 10.371 -2.836 1.00 54.33 H new ATOM 0 HB3 ASP A 45 9.388 10.384 -1.197 1.00 54.33 H new ATOM 712 N ILE A 46 7.425 7.823 -3.725 1.00 21.14 N ATOM 713 CA ILE A 46 6.988 7.114 -4.896 1.00 13.32 C ATOM 714 C ILE A 46 7.640 7.677 -6.127 1.00 22.14 C ATOM 715 O ILE A 46 7.355 8.811 -6.535 1.00 15.14 O ATOM 716 CB ILE A 46 5.452 7.196 -5.034 1.00 70.15 C ATOM 717 CG1 ILE A 46 4.797 6.599 -3.791 1.00 23.12 C ATOM 718 CG2 ILE A 46 4.971 6.482 -6.303 1.00 4.31 C ATOM 719 CD1 ILE A 46 3.308 6.756 -3.761 1.00 4.21 C ATOM 0 H ILE A 46 6.708 8.425 -3.320 1.00 21.14 H new ATOM 0 HA ILE A 46 7.279 6.069 -4.790 1.00 13.32 H new ATOM 0 HB ILE A 46 5.162 8.243 -5.122 1.00 70.15 H new ATOM 0 HG12 ILE A 46 5.043 5.539 -3.735 1.00 23.12 H new ATOM 0 HG13 ILE A 46 5.221 7.071 -2.905 1.00 23.12 H new ATOM 0 HG21 ILE A 46 3.886 6.556 -6.373 1.00 4.31 H new ATOM 0 HG22 ILE A 46 5.424 6.949 -7.177 1.00 4.31 H new ATOM 0 HG23 ILE A 46 5.261 5.432 -6.262 1.00 4.31 H new ATOM 0 HD11 ILE A 46 2.913 6.308 -2.849 1.00 4.21 H new ATOM 0 HD12 ILE A 46 3.053 7.816 -3.784 1.00 4.21 H new ATOM 0 HD13 ILE A 46 2.872 6.259 -4.628 1.00 4.21 H new ATOM 731 N SER A 47 8.467 6.878 -6.736 1.00 61.52 N ATOM 732 CA SER A 47 9.174 7.303 -7.900 1.00 53.33 C ATOM 733 C SER A 47 8.386 6.911 -9.151 1.00 12.01 C ATOM 734 O SER A 47 8.438 7.605 -10.164 1.00 51.01 O ATOM 735 CB SER A 47 10.586 6.686 -7.907 1.00 22.21 C ATOM 736 OG SER A 47 11.342 7.107 -9.029 1.00 64.54 O ATOM 0 H SER A 47 8.667 5.922 -6.440 1.00 61.52 H new ATOM 0 HA SER A 47 9.281 8.388 -7.893 1.00 53.33 H new ATOM 0 HB2 SER A 47 11.108 6.965 -6.992 1.00 22.21 H new ATOM 0 HB3 SER A 47 10.507 5.599 -7.910 1.00 22.21 H new ATOM 0 HG SER A 47 12.231 6.696 -8.997 1.00 64.54 H new ATOM 742 N VAL A 48 7.609 5.829 -9.073 1.00 3.04 N ATOM 743 CA VAL A 48 6.785 5.440 -10.206 1.00 64.15 C ATOM 744 C VAL A 48 5.398 5.077 -9.707 1.00 24.31 C ATOM 745 O VAL A 48 5.258 4.296 -8.762 1.00 54.31 O ATOM 746 CB VAL A 48 7.374 4.186 -10.940 1.00 41.25 C ATOM 747 CG1 VAL A 48 6.538 3.814 -12.162 1.00 60.44 C ATOM 748 CG2 VAL A 48 8.833 4.386 -11.340 1.00 11.22 C ATOM 0 H VAL A 48 7.537 5.223 -8.256 1.00 3.04 H new ATOM 0 HA VAL A 48 6.754 6.279 -10.902 1.00 64.15 H new ATOM 0 HB VAL A 48 7.335 3.362 -10.227 1.00 41.25 H new ATOM 0 HG11 VAL A 48 6.973 2.941 -12.648 1.00 60.44 H new ATOM 0 HG12 VAL A 48 5.519 3.585 -11.850 1.00 60.44 H new ATOM 0 HG13 VAL A 48 6.524 4.650 -12.862 1.00 60.44 H new ATOM 0 HG21 VAL A 48 9.198 3.492 -11.845 1.00 11.22 H new ATOM 0 HG22 VAL A 48 8.912 5.240 -12.012 1.00 11.22 H new ATOM 0 HG23 VAL A 48 9.433 4.569 -10.449 1.00 11.22 H new ATOM 758 N ASN A 49 4.396 5.635 -10.322 1.00 32.51 N ATOM 759 CA ASN A 49 3.019 5.301 -10.026 1.00 65.30 C ATOM 760 C ASN A 49 2.384 4.716 -11.272 1.00 60.04 C ATOM 761 O ASN A 49 2.620 5.224 -12.365 1.00 63.05 O ATOM 762 CB ASN A 49 2.215 6.521 -9.492 1.00 63.33 C ATOM 763 CG ASN A 49 1.942 7.610 -10.530 1.00 34.03 C ATOM 764 OD1 ASN A 49 0.936 7.579 -11.228 1.00 62.41 O ATOM 765 ND2 ASN A 49 2.817 8.589 -10.615 1.00 10.21 N ATOM 0 H ASN A 49 4.505 6.341 -11.050 1.00 32.51 H new ATOM 0 HA ASN A 49 3.001 4.563 -9.224 1.00 65.30 H new ATOM 0 HB2 ASN A 49 1.262 6.167 -9.098 1.00 63.33 H new ATOM 0 HB3 ASN A 49 2.761 6.962 -8.658 1.00 63.33 H new ATOM 0 HD21 ASN A 49 2.667 9.351 -11.276 1.00 10.21 H new ATOM 0 HD22 ASN A 49 3.645 8.586 -10.020 1.00 10.21 H new ATOM 772 N LYS A 50 1.680 3.614 -11.160 1.00 41.54 N ATOM 773 CA LYS A 50 0.964 3.114 -12.308 1.00 1.23 C ATOM 774 C LYS A 50 -0.473 2.930 -11.936 1.00 34.30 C ATOM 775 O LYS A 50 -0.788 2.513 -10.809 1.00 63.22 O ATOM 776 CB LYS A 50 1.483 1.727 -12.774 1.00 2.41 C ATOM 777 CG LYS A 50 2.982 1.608 -13.021 1.00 70.20 C ATOM 778 CD LYS A 50 3.796 1.482 -11.736 1.00 42.02 C ATOM 779 CE LYS A 50 3.445 0.243 -10.923 1.00 63.23 C ATOM 780 NZ LYS A 50 3.638 -1.033 -11.653 1.00 51.43 N ATOM 0 H LYS A 50 1.589 3.059 -10.309 1.00 41.54 H new ATOM 0 HA LYS A 50 1.104 3.837 -13.112 1.00 1.23 H new ATOM 0 HB2 LYS A 50 1.201 0.988 -12.024 1.00 2.41 H new ATOM 0 HB3 LYS A 50 0.964 1.460 -13.695 1.00 2.41 H new ATOM 0 HG2 LYS A 50 3.172 0.738 -13.650 1.00 70.20 H new ATOM 0 HG3 LYS A 50 3.323 2.483 -13.575 1.00 70.20 H new ATOM 0 HD2 LYS A 50 4.857 1.456 -11.986 1.00 42.02 H new ATOM 0 HD3 LYS A 50 3.635 2.369 -11.123 1.00 42.02 H new ATOM 0 HE2 LYS A 50 4.055 0.229 -10.020 1.00 63.23 H new ATOM 0 HE3 LYS A 50 2.405 0.313 -10.604 1.00 63.23 H new ATOM 0 HZ1 LYS A 50 3.713 -1.815 -10.971 1.00 51.43 H new ATOM 0 HZ2 LYS A 50 2.827 -1.199 -12.282 1.00 51.43 H new ATOM 0 HZ3 LYS A 50 4.510 -0.981 -12.218 1.00 51.43 H new ATOM 794 N ASN A 51 -1.338 3.232 -12.847 1.00 13.41 N ATOM 795 CA ASN A 51 -2.718 2.909 -12.698 1.00 34.11 C ATOM 796 C ASN A 51 -3.047 1.837 -13.712 1.00 60.40 C ATOM 797 O ASN A 51 -2.459 1.819 -14.790 1.00 33.41 O ATOM 798 CB ASN A 51 -3.654 4.133 -12.820 1.00 52.13 C ATOM 799 CG ASN A 51 -3.714 4.735 -14.216 1.00 52.41 C ATOM 800 OD1 ASN A 51 -4.541 4.353 -15.028 1.00 3.11 O ATOM 801 ND2 ASN A 51 -2.859 5.697 -14.490 1.00 34.22 N ATOM 0 H ASN A 51 -1.107 3.711 -13.718 1.00 13.41 H new ATOM 0 HA ASN A 51 -2.890 2.542 -11.686 1.00 34.11 H new ATOM 0 HB2 ASN A 51 -4.660 3.839 -12.520 1.00 52.13 H new ATOM 0 HB3 ASN A 51 -3.324 4.900 -12.119 1.00 52.13 H new ATOM 0 HD21 ASN A 51 -2.875 6.148 -15.405 1.00 34.22 H new ATOM 0 HD22 ASN A 51 -2.181 5.992 -13.788 1.00 34.22 H new ATOM 808 N ASN A 52 -3.919 0.941 -13.378 1.00 31.52 N ATOM 809 CA ASN A 52 -4.314 -0.113 -14.304 1.00 54.04 C ATOM 810 C ASN A 52 -5.822 -0.161 -14.436 1.00 65.30 C ATOM 811 O ASN A 52 -6.403 -1.172 -14.826 1.00 31.25 O ATOM 812 CB ASN A 52 -3.758 -1.466 -13.854 1.00 24.12 C ATOM 813 CG ASN A 52 -2.260 -1.613 -14.090 1.00 71.25 C ATOM 814 OD1 ASN A 52 -1.435 -1.251 -13.250 1.00 21.44 O ATOM 815 ND2 ASN A 52 -1.896 -2.156 -15.229 1.00 32.42 N ATOM 0 H ASN A 52 -4.383 0.904 -12.470 1.00 31.52 H new ATOM 0 HA ASN A 52 -3.893 0.111 -15.284 1.00 54.04 H new ATOM 0 HB2 ASN A 52 -3.966 -1.601 -12.793 1.00 24.12 H new ATOM 0 HB3 ASN A 52 -4.282 -2.261 -14.385 1.00 24.12 H new ATOM 0 HD21 ASN A 52 -0.906 -2.288 -15.438 1.00 32.42 H new ATOM 0 HD22 ASN A 52 -2.603 -2.446 -15.905 1.00 32.42 H new ATOM 822 N GLY A 53 -6.455 0.942 -14.094 1.00 74.01 N ATOM 823 CA GLY A 53 -7.894 1.077 -14.235 1.00 1.31 C ATOM 824 C GLY A 53 -8.663 0.439 -13.099 1.00 61.11 C ATOM 825 O GLY A 53 -9.484 1.093 -12.419 1.00 23.22 O ATOM 0 H GLY A 53 -5.992 1.767 -13.712 1.00 74.01 H new ATOM 0 HA2 GLY A 53 -8.150 2.135 -14.290 1.00 1.31 H new ATOM 0 HA3 GLY A 53 -8.205 0.624 -15.176 1.00 1.31 H new ATOM 829 N THR A 54 -8.437 -0.818 -12.884 1.00 20.25 N ATOM 830 CA THR A 54 -9.105 -1.502 -11.830 1.00 34.23 C ATOM 831 C THR A 54 -8.088 -2.056 -10.825 1.00 40.24 C ATOM 832 O THR A 54 -8.445 -2.706 -9.832 1.00 2.20 O ATOM 833 CB THR A 54 -10.098 -2.580 -12.368 1.00 41.32 C ATOM 834 OG1 THR A 54 -10.959 -3.023 -11.319 1.00 3.04 O ATOM 835 CG2 THR A 54 -9.378 -3.772 -12.988 1.00 50.22 C ATOM 0 H THR A 54 -7.792 -1.391 -13.428 1.00 20.25 H new ATOM 0 HA THR A 54 -9.727 -0.787 -11.292 1.00 34.23 H new ATOM 0 HB THR A 54 -10.689 -2.110 -13.154 1.00 41.32 H new ATOM 0 HG1 THR A 54 -11.579 -3.698 -11.667 1.00 3.04 H new ATOM 0 HG21 THR A 54 -10.112 -4.494 -13.347 1.00 50.22 H new ATOM 0 HG22 THR A 54 -8.764 -3.433 -13.822 1.00 50.22 H new ATOM 0 HG23 THR A 54 -8.742 -4.243 -12.238 1.00 50.22 H new ATOM 843 N ASP A 55 -6.841 -1.736 -11.075 1.00 71.24 N ATOM 844 CA ASP A 55 -5.734 -2.082 -10.209 1.00 40.04 C ATOM 845 C ASP A 55 -4.889 -0.833 -10.151 1.00 11.24 C ATOM 846 O ASP A 55 -5.018 0.038 -11.036 1.00 64.43 O ATOM 847 CB ASP A 55 -4.841 -3.240 -10.767 1.00 35.34 C ATOM 848 CG ASP A 55 -5.536 -4.553 -11.102 1.00 73.52 C ATOM 849 OD1 ASP A 55 -6.604 -4.562 -11.764 1.00 40.32 O ATOM 850 OD2 ASP A 55 -5.036 -5.627 -10.703 1.00 14.43 O ATOM 0 H ASP A 55 -6.559 -1.215 -11.905 1.00 71.24 H new ATOM 0 HA ASP A 55 -6.118 -2.425 -9.248 1.00 40.04 H new ATOM 0 HB2 ASP A 55 -4.345 -2.880 -11.669 1.00 35.34 H new ATOM 0 HB3 ASP A 55 -4.060 -3.448 -10.035 1.00 35.34 H new ATOM 855 N ALA A 56 -4.105 -0.687 -9.137 1.00 21.24 N ATOM 856 CA ALA A 56 -3.203 0.449 -9.008 1.00 41.34 C ATOM 857 C ALA A 56 -1.972 0.011 -8.270 1.00 11.43 C ATOM 858 O ALA A 56 -2.069 -0.827 -7.391 1.00 14.34 O ATOM 859 CB ALA A 56 -3.874 1.610 -8.285 1.00 62.42 C ATOM 0 H ALA A 56 -4.058 -1.346 -8.360 1.00 21.24 H new ATOM 0 HA ALA A 56 -2.931 0.800 -10.003 1.00 41.34 H new ATOM 0 HB1 ALA A 56 -3.174 2.442 -8.205 1.00 62.42 H new ATOM 0 HB2 ALA A 56 -4.753 1.928 -8.845 1.00 62.42 H new ATOM 0 HB3 ALA A 56 -4.175 1.292 -7.287 1.00 62.42 H new ATOM 865 N GLU A 57 -0.825 0.547 -8.615 1.00 22.40 N ATOM 866 CA GLU A 57 0.396 0.171 -7.934 1.00 33.23 C ATOM 867 C GLU A 57 1.400 1.322 -7.925 1.00 33.23 C ATOM 868 O GLU A 57 1.641 1.961 -8.954 1.00 52.25 O ATOM 869 CB GLU A 57 1.004 -1.097 -8.562 1.00 25.54 C ATOM 870 CG GLU A 57 2.312 -1.546 -7.922 1.00 1.21 C ATOM 871 CD GLU A 57 2.877 -2.784 -8.556 1.00 20.23 C ATOM 872 OE1 GLU A 57 3.246 -2.718 -9.761 1.00 20.11 O ATOM 873 OE2 GLU A 57 2.976 -3.812 -7.876 1.00 52.45 O ATOM 0 H GLU A 57 -0.709 1.239 -9.356 1.00 22.40 H new ATOM 0 HA GLU A 57 0.148 -0.055 -6.897 1.00 33.23 H new ATOM 0 HB2 GLU A 57 0.280 -1.908 -8.489 1.00 25.54 H new ATOM 0 HB3 GLU A 57 1.175 -0.917 -9.623 1.00 25.54 H new ATOM 0 HG2 GLU A 57 3.042 -0.740 -7.996 1.00 1.21 H new ATOM 0 HG3 GLU A 57 2.147 -1.730 -6.860 1.00 1.21 H new ATOM 880 N ILE A 58 1.959 1.598 -6.769 1.00 21.40 N ATOM 881 CA ILE A 58 2.953 2.608 -6.605 1.00 45.55 C ATOM 882 C ILE A 58 4.264 1.984 -6.155 1.00 2.11 C ATOM 883 O ILE A 58 4.262 1.057 -5.334 1.00 61.44 O ATOM 884 CB ILE A 58 2.541 3.736 -5.627 1.00 55.22 C ATOM 885 CG1 ILE A 58 1.958 3.234 -4.268 1.00 1.22 C ATOM 886 CG2 ILE A 58 1.621 4.743 -6.302 1.00 14.30 C ATOM 887 CD1 ILE A 58 0.492 2.831 -4.291 1.00 22.15 C ATOM 0 H ILE A 58 1.723 1.111 -5.905 1.00 21.40 H new ATOM 0 HA ILE A 58 3.074 3.077 -7.582 1.00 45.55 H new ATOM 0 HB ILE A 58 3.469 4.242 -5.360 1.00 55.22 H new ATOM 0 HG12 ILE A 58 2.546 2.379 -3.934 1.00 1.22 H new ATOM 0 HG13 ILE A 58 2.089 4.020 -3.524 1.00 1.22 H new ATOM 0 HG21 ILE A 58 1.349 5.522 -5.590 1.00 14.30 H new ATOM 0 HG22 ILE A 58 2.134 5.192 -7.153 1.00 14.30 H new ATOM 0 HG23 ILE A 58 0.719 4.237 -6.648 1.00 14.30 H new ATOM 0 HD11 ILE A 58 0.190 2.499 -3.298 1.00 22.15 H new ATOM 0 HD12 ILE A 58 -0.116 3.686 -4.588 1.00 22.15 H new ATOM 0 HD13 ILE A 58 0.349 2.019 -5.004 1.00 22.15 H new ATOM 899 N VAL A 59 5.371 2.473 -6.703 1.00 60.23 N ATOM 900 CA VAL A 59 6.679 1.903 -6.429 1.00 3.33 C ATOM 901 C VAL A 59 7.645 2.969 -5.887 1.00 32.02 C ATOM 902 O VAL A 59 7.777 4.060 -6.474 1.00 45.45 O ATOM 903 CB VAL A 59 7.326 1.336 -7.734 1.00 24.52 C ATOM 904 CG1 VAL A 59 8.555 0.483 -7.436 1.00 52.12 C ATOM 905 CG2 VAL A 59 6.324 0.593 -8.613 1.00 74.23 C ATOM 0 H VAL A 59 5.385 3.267 -7.343 1.00 60.23 H new ATOM 0 HA VAL A 59 6.524 1.112 -5.695 1.00 3.33 H new ATOM 0 HB VAL A 59 7.661 2.200 -8.308 1.00 24.52 H new ATOM 0 HG11 VAL A 59 8.974 0.109 -8.370 1.00 52.12 H new ATOM 0 HG12 VAL A 59 9.301 1.088 -6.920 1.00 52.12 H new ATOM 0 HG13 VAL A 59 8.270 -0.358 -6.804 1.00 52.12 H new ATOM 0 HG21 VAL A 59 6.828 0.221 -9.505 1.00 74.23 H new ATOM 0 HG22 VAL A 59 5.904 -0.245 -8.057 1.00 74.23 H new ATOM 0 HG23 VAL A 59 5.523 1.272 -8.906 1.00 74.23 H new ATOM 915 N SER A 60 8.285 2.662 -4.787 1.00 60.12 N ATOM 916 CA SER A 60 9.378 3.447 -4.275 1.00 0.33 C ATOM 917 C SER A 60 10.593 2.528 -4.222 1.00 42.00 C ATOM 918 O SER A 60 10.437 1.317 -4.016 1.00 23.42 O ATOM 919 CB SER A 60 9.110 4.019 -2.869 1.00 1.13 C ATOM 920 OG SER A 60 10.223 4.749 -2.463 1.00 72.23 O ATOM 0 H SER A 60 8.058 1.849 -4.215 1.00 60.12 H new ATOM 0 HA SER A 60 9.528 4.306 -4.929 1.00 0.33 H new ATOM 0 HB2 SER A 60 8.225 4.656 -2.883 1.00 1.13 H new ATOM 0 HB3 SER A 60 8.911 3.211 -2.165 1.00 1.13 H new ATOM 0 HG SER A 60 10.173 5.655 -2.833 1.00 72.23 H new ATOM 926 N ALA A 61 11.771 3.071 -4.406 1.00 62.41 N ATOM 927 CA ALA A 61 12.989 2.289 -4.403 1.00 21.13 C ATOM 928 C ALA A 61 14.137 3.145 -3.925 1.00 55.45 C ATOM 929 O ALA A 61 14.161 4.342 -4.190 1.00 51.20 O ATOM 930 CB ALA A 61 13.282 1.746 -5.798 1.00 20.40 C ATOM 0 H ALA A 61 11.916 4.068 -4.562 1.00 62.41 H new ATOM 0 HA ALA A 61 12.864 1.443 -3.727 1.00 21.13 H new ATOM 0 HB1 ALA A 61 14.201 1.161 -5.775 1.00 20.40 H new ATOM 0 HB2 ALA A 61 12.457 1.112 -6.123 1.00 20.40 H new ATOM 0 HB3 ALA A 61 13.398 2.576 -6.495 1.00 20.40 H new ATOM 936 N SER A 62 15.067 2.551 -3.225 1.00 43.21 N ATOM 937 CA SER A 62 16.205 3.272 -2.750 1.00 4.50 C ATOM 938 C SER A 62 17.362 3.134 -3.731 1.00 20.41 C ATOM 939 O SER A 62 17.492 2.125 -4.434 1.00 41.23 O ATOM 940 CB SER A 62 16.612 2.787 -1.347 1.00 73.45 C ATOM 941 OG SER A 62 17.758 3.487 -0.833 1.00 64.11 O ATOM 0 H SER A 62 15.053 1.563 -2.973 1.00 43.21 H new ATOM 0 HA SER A 62 15.942 4.327 -2.675 1.00 4.50 H new ATOM 0 HB2 SER A 62 15.773 2.918 -0.663 1.00 73.45 H new ATOM 0 HB3 SER A 62 16.829 1.719 -1.384 1.00 73.45 H new ATOM 0 HG SER A 62 17.977 3.146 0.059 1.00 64.11 H new ATOM 947 N ASP A 63 18.165 4.155 -3.769 1.00 21.43 N ATOM 948 CA ASP A 63 19.354 4.244 -4.593 1.00 41.11 C ATOM 949 C ASP A 63 20.494 3.454 -3.953 1.00 32.11 C ATOM 950 O ASP A 63 21.317 2.863 -4.642 1.00 71.45 O ATOM 951 CB ASP A 63 19.760 5.723 -4.635 1.00 24.31 C ATOM 952 CG ASP A 63 19.969 6.261 -3.219 1.00 63.53 C ATOM 953 OD1 ASP A 63 18.955 6.340 -2.459 1.00 3.45 O ATOM 954 OD2 ASP A 63 21.114 6.478 -2.823 1.00 33.00 O ATOM 0 H ASP A 63 18.010 4.991 -3.205 1.00 21.43 H new ATOM 0 HA ASP A 63 19.157 3.845 -5.588 1.00 41.11 H new ATOM 0 HB2 ASP A 63 20.677 5.838 -5.213 1.00 24.31 H new ATOM 0 HB3 ASP A 63 18.989 6.304 -5.141 1.00 24.31 H new ATOM 959 N SER A 64 20.490 3.402 -2.637 1.00 50.44 N ATOM 960 CA SER A 64 21.521 2.732 -1.907 1.00 43.32 C ATOM 961 C SER A 64 21.098 1.308 -1.593 1.00 10.01 C ATOM 962 O SER A 64 21.914 0.385 -1.577 1.00 44.13 O ATOM 963 CB SER A 64 21.832 3.512 -0.628 1.00 10.14 C ATOM 964 OG SER A 64 22.276 4.839 -0.915 1.00 31.44 O ATOM 0 H SER A 64 19.769 3.825 -2.053 1.00 50.44 H new ATOM 0 HA SER A 64 22.426 2.686 -2.512 1.00 43.32 H new ATOM 0 HB2 SER A 64 20.941 3.554 -0.001 1.00 10.14 H new ATOM 0 HB3 SER A 64 22.599 2.987 -0.058 1.00 10.14 H new ATOM 0 HG SER A 64 21.699 5.236 -1.601 1.00 31.44 H new ATOM 970 N ASP A 65 19.818 1.125 -1.361 1.00 75.23 N ATOM 971 CA ASP A 65 19.300 -0.186 -1.089 1.00 32.23 C ATOM 972 C ASP A 65 18.337 -0.538 -2.196 1.00 32.44 C ATOM 973 O ASP A 65 17.171 -0.146 -2.185 1.00 52.33 O ATOM 974 CB ASP A 65 18.604 -0.227 0.273 1.00 74.22 C ATOM 975 CG ASP A 65 18.217 -1.625 0.720 1.00 3.41 C ATOM 976 OD1 ASP A 65 18.020 -2.518 -0.129 1.00 72.40 O ATOM 977 OD2 ASP A 65 18.045 -1.816 1.956 1.00 13.15 O ATOM 0 H ASP A 65 19.121 1.870 -1.356 1.00 75.23 H new ATOM 0 HA ASP A 65 20.113 -0.911 -1.052 1.00 32.23 H new ATOM 0 HB2 ASP A 65 19.263 0.214 1.021 1.00 74.22 H new ATOM 0 HB3 ASP A 65 17.708 0.393 0.232 1.00 74.22 H new ATOM 982 N SER A 66 18.855 -1.218 -3.165 1.00 71.43 N ATOM 983 CA SER A 66 18.126 -1.605 -4.340 1.00 4.14 C ATOM 984 C SER A 66 17.021 -2.634 -4.057 1.00 64.24 C ATOM 985 O SER A 66 15.980 -2.656 -4.735 1.00 32.35 O ATOM 986 CB SER A 66 19.118 -2.155 -5.330 1.00 61.34 C ATOM 987 OG SER A 66 20.133 -1.198 -5.588 1.00 13.54 O ATOM 0 H SER A 66 19.826 -1.532 -3.166 1.00 71.43 H new ATOM 0 HA SER A 66 17.614 -0.728 -4.735 1.00 4.14 H new ATOM 0 HB2 SER A 66 19.562 -3.071 -4.941 1.00 61.34 H new ATOM 0 HB3 SER A 66 18.610 -2.417 -6.258 1.00 61.34 H new ATOM 0 HG SER A 66 20.774 -1.566 -6.232 1.00 13.54 H new ATOM 993 N THR A 67 17.218 -3.464 -3.059 1.00 41.12 N ATOM 994 CA THR A 67 16.281 -4.522 -2.823 1.00 63.22 C ATOM 995 C THR A 67 15.184 -4.071 -1.869 1.00 73.51 C ATOM 996 O THR A 67 14.095 -4.690 -1.806 1.00 15.35 O ATOM 997 CB THR A 67 16.990 -5.827 -2.338 1.00 11.11 C ATOM 998 OG1 THR A 67 16.043 -6.871 -2.080 1.00 0.13 O ATOM 999 CG2 THR A 67 17.843 -5.575 -1.106 1.00 54.05 C ATOM 0 H THR A 67 18.005 -3.425 -2.412 1.00 41.12 H new ATOM 0 HA THR A 67 15.805 -4.767 -3.773 1.00 63.22 H new ATOM 0 HB THR A 67 17.647 -6.150 -3.146 1.00 11.11 H new ATOM 0 HG1 THR A 67 16.516 -7.675 -1.780 1.00 0.13 H new ATOM 0 HG21 THR A 67 18.320 -6.505 -0.798 1.00 54.05 H new ATOM 0 HG22 THR A 67 18.608 -4.834 -1.338 1.00 54.05 H new ATOM 0 HG23 THR A 67 17.213 -5.205 -0.297 1.00 54.05 H new ATOM 1007 N ASP A 68 15.418 -2.983 -1.171 1.00 71.40 N ATOM 1008 CA ASP A 68 14.409 -2.441 -0.317 1.00 64.01 C ATOM 1009 C ASP A 68 13.610 -1.433 -1.069 1.00 61.41 C ATOM 1010 O ASP A 68 13.961 -0.255 -1.175 1.00 21.42 O ATOM 1011 CB ASP A 68 14.962 -1.861 0.957 1.00 54.42 C ATOM 1012 CG ASP A 68 13.895 -1.527 1.959 1.00 3.43 C ATOM 1013 OD1 ASP A 68 12.857 -2.211 1.992 1.00 42.33 O ATOM 1014 OD2 ASP A 68 14.102 -0.600 2.767 1.00 42.13 O ATOM 0 H ASP A 68 16.296 -2.465 -1.183 1.00 71.40 H new ATOM 0 HA ASP A 68 13.762 -3.262 -0.009 1.00 64.01 H new ATOM 0 HB2 ASP A 68 15.660 -2.571 1.400 1.00 54.42 H new ATOM 0 HB3 ASP A 68 15.529 -0.960 0.724 1.00 54.42 H new ATOM 1019 N SER A 69 12.602 -1.930 -1.664 1.00 54.11 N ATOM 1020 CA SER A 69 11.719 -1.169 -2.439 1.00 11.41 C ATOM 1021 C SER A 69 10.294 -1.440 -1.996 1.00 75.55 C ATOM 1022 O SER A 69 9.908 -2.601 -1.744 1.00 4.33 O ATOM 1023 CB SER A 69 11.967 -1.477 -3.922 1.00 22.01 C ATOM 1024 OG SER A 69 12.396 -2.839 -4.096 1.00 30.23 O ATOM 0 H SER A 69 12.361 -2.920 -1.621 1.00 54.11 H new ATOM 0 HA SER A 69 11.889 -0.101 -2.300 1.00 11.41 H new ATOM 0 HB2 SER A 69 11.054 -1.303 -4.492 1.00 22.01 H new ATOM 0 HB3 SER A 69 12.724 -0.799 -4.317 1.00 22.01 H new ATOM 0 HG SER A 69 12.100 -3.166 -4.971 1.00 30.23 H new ATOM 1030 N LEU A 70 9.546 -0.393 -1.856 1.00 22.42 N ATOM 1031 CA LEU A 70 8.192 -0.461 -1.402 1.00 42.25 C ATOM 1032 C LEU A 70 7.295 -0.439 -2.624 1.00 42.45 C ATOM 1033 O LEU A 70 7.304 0.523 -3.385 1.00 11.14 O ATOM 1034 CB LEU A 70 7.927 0.737 -0.436 1.00 15.13 C ATOM 1035 CG LEU A 70 6.550 0.856 0.282 1.00 30.11 C ATOM 1036 CD1 LEU A 70 5.437 1.249 -0.667 1.00 13.44 C ATOM 1037 CD2 LEU A 70 6.199 -0.430 1.015 1.00 14.44 C ATOM 0 H LEU A 70 9.865 0.554 -2.058 1.00 22.42 H new ATOM 0 HA LEU A 70 7.987 -1.375 -0.845 1.00 42.25 H new ATOM 0 HB2 LEU A 70 8.696 0.710 0.336 1.00 15.13 H new ATOM 0 HB3 LEU A 70 8.079 1.654 -1.005 1.00 15.13 H new ATOM 0 HG LEU A 70 6.649 1.657 1.015 1.00 30.11 H new ATOM 0 HD11 LEU A 70 4.498 1.319 -0.118 1.00 13.44 H new ATOM 0 HD12 LEU A 70 5.667 2.215 -1.117 1.00 13.44 H new ATOM 0 HD13 LEU A 70 5.344 0.497 -1.450 1.00 13.44 H new ATOM 0 HD21 LEU A 70 5.233 -0.317 1.506 1.00 14.44 H new ATOM 0 HD22 LEU A 70 6.149 -1.253 0.302 1.00 14.44 H new ATOM 0 HD23 LEU A 70 6.963 -0.643 1.762 1.00 14.44 H new ATOM 1049 N GLN A 71 6.576 -1.504 -2.834 1.00 0.20 N ATOM 1050 CA GLN A 71 5.682 -1.595 -3.955 1.00 11.40 C ATOM 1051 C GLN A 71 4.343 -2.037 -3.417 1.00 23.02 C ATOM 1052 O GLN A 71 4.265 -3.071 -2.721 1.00 11.14 O ATOM 1053 CB GLN A 71 6.212 -2.617 -4.946 1.00 22.22 C ATOM 1054 CG GLN A 71 5.893 -2.324 -6.389 1.00 13.04 C ATOM 1055 CD GLN A 71 6.462 -3.379 -7.318 1.00 55.44 C ATOM 1056 OE1 GLN A 71 7.624 -3.300 -7.720 1.00 0.02 O ATOM 1057 NE2 GLN A 71 5.644 -4.291 -7.755 1.00 74.10 N ATOM 0 H GLN A 71 6.592 -2.331 -2.237 1.00 0.20 H new ATOM 0 HA GLN A 71 5.593 -0.638 -4.469 1.00 11.40 H new ATOM 0 HB2 GLN A 71 7.294 -2.683 -4.834 1.00 22.22 H new ATOM 0 HB3 GLN A 71 5.805 -3.595 -4.690 1.00 22.22 H new ATOM 0 HG2 GLN A 71 4.812 -2.271 -6.519 1.00 13.04 H new ATOM 0 HG3 GLN A 71 6.295 -1.347 -6.659 1.00 13.04 H new ATOM 0 HE21 GLN A 71 4.688 -4.330 -7.402 1.00 74.10 H new ATOM 0 HE22 GLN A 71 5.959 -4.967 -8.451 1.00 74.10 H new ATOM 1066 N VAL A 72 3.327 -1.254 -3.658 1.00 63.41 N ATOM 1067 CA VAL A 72 1.998 -1.557 -3.167 1.00 64.12 C ATOM 1068 C VAL A 72 1.041 -1.672 -4.330 1.00 54.05 C ATOM 1069 O VAL A 72 0.882 -0.721 -5.095 1.00 63.04 O ATOM 1070 CB VAL A 72 1.485 -0.442 -2.201 1.00 55.31 C ATOM 1071 CG1 VAL A 72 0.060 -0.709 -1.748 1.00 21.11 C ATOM 1072 CG2 VAL A 72 2.384 -0.313 -0.993 1.00 21.41 C ATOM 0 H VAL A 72 3.390 -0.390 -4.197 1.00 63.41 H new ATOM 0 HA VAL A 72 2.048 -2.499 -2.621 1.00 64.12 H new ATOM 0 HB VAL A 72 1.502 0.494 -2.759 1.00 55.31 H new ATOM 0 HG11 VAL A 72 -0.264 0.087 -1.077 1.00 21.11 H new ATOM 0 HG12 VAL A 72 -0.598 -0.742 -2.617 1.00 21.11 H new ATOM 0 HG13 VAL A 72 0.018 -1.664 -1.225 1.00 21.11 H new ATOM 0 HG21 VAL A 72 2.003 0.470 -0.338 1.00 21.41 H new ATOM 0 HG22 VAL A 72 2.405 -1.259 -0.453 1.00 21.41 H new ATOM 0 HG23 VAL A 72 3.393 -0.057 -1.316 1.00 21.41 H new ATOM 1082 N ALA A 73 0.395 -2.808 -4.431 1.00 3.34 N ATOM 1083 CA ALA A 73 -0.586 -3.070 -5.450 1.00 71.21 C ATOM 1084 C ALA A 73 -1.971 -3.105 -4.818 1.00 34.05 C ATOM 1085 O ALA A 73 -2.157 -3.654 -3.719 1.00 2.02 O ATOM 1086 CB ALA A 73 -0.284 -4.386 -6.154 1.00 41.42 C ATOM 0 H ALA A 73 0.541 -3.591 -3.793 1.00 3.34 H new ATOM 0 HA ALA A 73 -0.553 -2.275 -6.195 1.00 71.21 H new ATOM 0 HB1 ALA A 73 -1.036 -4.569 -6.922 1.00 41.42 H new ATOM 0 HB2 ALA A 73 0.702 -4.333 -6.616 1.00 41.42 H new ATOM 0 HB3 ALA A 73 -0.301 -5.199 -5.428 1.00 41.42 H new ATOM 1092 N MET A 74 -2.912 -2.504 -5.484 1.00 74.03 N ATOM 1093 CA MET A 74 -4.281 -2.393 -5.023 1.00 41.34 C ATOM 1094 C MET A 74 -5.186 -3.073 -6.013 1.00 63.45 C ATOM 1095 O MET A 74 -5.062 -2.842 -7.218 1.00 73.22 O ATOM 1096 CB MET A 74 -4.686 -0.921 -4.971 1.00 54.32 C ATOM 1097 CG MET A 74 -3.776 -0.046 -4.156 1.00 43.14 C ATOM 1098 SD MET A 74 -4.226 1.683 -4.239 1.00 75.42 S ATOM 1099 CE MET A 74 -2.910 2.386 -3.276 1.00 74.30 C ATOM 0 H MET A 74 -2.753 -2.062 -6.389 1.00 74.03 H new ATOM 0 HA MET A 74 -4.363 -2.848 -4.036 1.00 41.34 H new ATOM 0 HB2 MET A 74 -4.724 -0.533 -5.989 1.00 54.32 H new ATOM 0 HB3 MET A 74 -5.695 -0.850 -4.565 1.00 54.32 H new ATOM 0 HG2 MET A 74 -3.798 -0.374 -3.117 1.00 43.14 H new ATOM 0 HG3 MET A 74 -2.751 -0.168 -4.507 1.00 43.14 H new ATOM 0 HE1 MET A 74 -2.818 3.447 -3.506 1.00 74.30 H new ATOM 0 HE2 MET A 74 -3.129 2.262 -2.215 1.00 74.30 H new ATOM 0 HE3 MET A 74 -1.974 1.880 -3.515 1.00 74.30 H new ATOM 1109 N LYS A 75 -6.077 -3.894 -5.534 1.00 42.22 N ATOM 1110 CA LYS A 75 -7.021 -4.550 -6.395 1.00 4.43 C ATOM 1111 C LYS A 75 -8.425 -4.106 -6.022 1.00 35.35 C ATOM 1112 O LYS A 75 -8.818 -4.206 -4.858 1.00 12.42 O ATOM 1113 CB LYS A 75 -6.902 -6.072 -6.275 1.00 44.22 C ATOM 1114 CG LYS A 75 -7.693 -6.832 -7.328 1.00 71.34 C ATOM 1115 CD LYS A 75 -7.135 -6.553 -8.702 1.00 72.24 C ATOM 1116 CE LYS A 75 -7.837 -7.329 -9.797 1.00 73.21 C ATOM 1117 NZ LYS A 75 -7.247 -7.020 -11.120 1.00 63.53 N ATOM 0 H LYS A 75 -6.170 -4.126 -4.545 1.00 42.22 H new ATOM 0 HA LYS A 75 -6.809 -4.276 -7.428 1.00 4.43 H new ATOM 0 HB2 LYS A 75 -5.851 -6.352 -6.350 1.00 44.22 H new ATOM 0 HB3 LYS A 75 -7.244 -6.377 -5.286 1.00 44.22 H new ATOM 0 HG2 LYS A 75 -7.653 -7.902 -7.122 1.00 71.34 H new ATOM 0 HG3 LYS A 75 -8.742 -6.539 -7.287 1.00 71.34 H new ATOM 0 HD2 LYS A 75 -7.217 -5.486 -8.911 1.00 72.24 H new ATOM 0 HD3 LYS A 75 -6.073 -6.800 -8.713 1.00 72.24 H new ATOM 0 HE2 LYS A 75 -7.759 -8.398 -9.599 1.00 73.21 H new ATOM 0 HE3 LYS A 75 -8.899 -7.083 -9.801 1.00 73.21 H new ATOM 0 HZ1 LYS A 75 -7.556 -7.732 -11.813 1.00 63.53 H new ATOM 0 HZ2 LYS A 75 -7.561 -6.078 -11.428 1.00 63.53 H new ATOM 0 HZ3 LYS A 75 -6.210 -7.033 -11.049 1.00 63.53 H new ATOM 1131 N LYS A 76 -9.159 -3.626 -6.995 1.00 33.13 N ATOM 1132 CA LYS A 76 -10.508 -3.129 -6.797 1.00 43.11 C ATOM 1133 C LYS A 76 -11.519 -4.252 -6.765 1.00 0.34 C ATOM 1134 O LYS A 76 -11.561 -5.097 -7.663 1.00 61.51 O ATOM 1135 CB LYS A 76 -10.880 -2.199 -7.925 1.00 70.31 C ATOM 1136 CG LYS A 76 -12.260 -1.544 -7.810 1.00 73.21 C ATOM 1137 CD LYS A 76 -12.656 -0.914 -9.136 1.00 21.20 C ATOM 1138 CE LYS A 76 -11.585 0.035 -9.615 1.00 34.14 C ATOM 1139 NZ LYS A 76 -11.832 0.509 -11.003 1.00 61.02 N ATOM 0 H LYS A 76 -8.837 -3.566 -7.961 1.00 33.13 H new ATOM 0 HA LYS A 76 -10.524 -2.609 -5.839 1.00 43.11 H new ATOM 0 HB2 LYS A 76 -10.128 -1.413 -7.988 1.00 70.31 H new ATOM 0 HB3 LYS A 76 -10.838 -2.756 -8.861 1.00 70.31 H new ATOM 0 HG2 LYS A 76 -13.000 -2.289 -7.518 1.00 73.21 H new ATOM 0 HG3 LYS A 76 -12.246 -0.784 -7.028 1.00 73.21 H new ATOM 0 HD2 LYS A 76 -12.818 -1.693 -9.881 1.00 21.20 H new ATOM 0 HD3 LYS A 76 -13.599 -0.379 -9.023 1.00 21.20 H new ATOM 0 HE2 LYS A 76 -11.535 0.892 -8.944 1.00 34.14 H new ATOM 0 HE3 LYS A 76 -10.616 -0.462 -9.570 1.00 34.14 H new ATOM 0 HZ1 LYS A 76 -10.941 0.851 -11.417 1.00 61.02 H new ATOM 0 HZ2 LYS A 76 -12.202 -0.275 -11.577 1.00 61.02 H new ATOM 0 HZ3 LYS A 76 -12.526 1.284 -10.987 1.00 61.02 H new ATOM 1153 N LEU A 77 -12.303 -4.256 -5.737 1.00 53.33 N ATOM 1154 CA LEU A 77 -13.404 -5.183 -5.608 1.00 1.15 C ATOM 1155 C LEU A 77 -14.708 -4.410 -5.772 1.00 64.44 C ATOM 1156 O LEU A 77 -14.846 -3.299 -5.240 1.00 1.33 O ATOM 1157 CB LEU A 77 -13.399 -5.960 -4.261 1.00 41.21 C ATOM 1158 CG LEU A 77 -12.349 -7.083 -4.072 1.00 14.30 C ATOM 1159 CD1 LEU A 77 -10.932 -6.547 -4.005 1.00 15.25 C ATOM 1160 CD2 LEU A 77 -12.667 -7.902 -2.832 1.00 63.21 C ATOM 0 H LEU A 77 -12.205 -3.614 -4.950 1.00 53.33 H new ATOM 0 HA LEU A 77 -13.299 -5.938 -6.387 1.00 1.15 H new ATOM 0 HB2 LEU A 77 -13.261 -5.236 -3.458 1.00 41.21 H new ATOM 0 HB3 LEU A 77 -14.387 -6.401 -4.126 1.00 41.21 H new ATOM 0 HG LEU A 77 -12.405 -7.725 -4.951 1.00 14.30 H new ATOM 0 HD11 LEU A 77 -10.236 -7.375 -3.872 1.00 15.25 H new ATOM 0 HD12 LEU A 77 -10.698 -6.021 -4.931 1.00 15.25 H new ATOM 0 HD13 LEU A 77 -10.843 -5.859 -3.164 1.00 15.25 H new ATOM 0 HD21 LEU A 77 -11.920 -8.687 -2.713 1.00 63.21 H new ATOM 0 HD22 LEU A 77 -12.656 -7.254 -1.955 1.00 63.21 H new ATOM 0 HD23 LEU A 77 -13.654 -8.353 -2.937 1.00 63.21 H new ATOM 1172 N PRO A 78 -15.695 -4.984 -6.481 1.00 74.14 N ATOM 1173 CA PRO A 78 -16.970 -4.301 -6.780 1.00 12.34 C ATOM 1174 C PRO A 78 -17.860 -4.141 -5.545 1.00 62.53 C ATOM 1175 O PRO A 78 -18.825 -3.392 -5.550 1.00 42.31 O ATOM 1176 CB PRO A 78 -17.636 -5.221 -7.809 1.00 53.44 C ATOM 1177 CG PRO A 78 -17.053 -6.570 -7.564 1.00 62.51 C ATOM 1178 CD PRO A 78 -15.653 -6.349 -7.054 1.00 13.13 C ATOM 0 HA PRO A 78 -16.808 -3.284 -7.138 1.00 12.34 H new ATOM 0 HB2 PRO A 78 -18.719 -5.232 -7.685 1.00 53.44 H new ATOM 0 HB3 PRO A 78 -17.435 -4.884 -8.826 1.00 53.44 H new ATOM 0 HG2 PRO A 78 -17.647 -7.122 -6.836 1.00 62.51 H new ATOM 0 HG3 PRO A 78 -17.043 -7.160 -8.481 1.00 62.51 H new ATOM 0 HD2 PRO A 78 -15.380 -7.090 -6.302 1.00 13.13 H new ATOM 0 HD3 PRO A 78 -14.919 -6.423 -7.856 1.00 13.13 H new ATOM 1186 N ASN A 79 -17.483 -4.808 -4.478 1.00 52.01 N ATOM 1187 CA ASN A 79 -18.238 -4.785 -3.224 1.00 34.25 C ATOM 1188 C ASN A 79 -17.787 -3.614 -2.362 1.00 33.12 C ATOM 1189 O ASN A 79 -18.098 -3.556 -1.178 1.00 22.44 O ATOM 1190 CB ASN A 79 -18.039 -6.100 -2.423 1.00 54.03 C ATOM 1191 CG ASN A 79 -18.506 -7.367 -3.141 1.00 41.40 C ATOM 1192 OD1 ASN A 79 -18.446 -7.475 -4.359 1.00 33.44 O ATOM 1193 ND2 ASN A 79 -18.969 -8.334 -2.384 1.00 63.12 N ATOM 0 H ASN A 79 -16.643 -5.386 -4.445 1.00 52.01 H new ATOM 0 HA ASN A 79 -19.293 -4.680 -3.477 1.00 34.25 H new ATOM 0 HB2 ASN A 79 -16.981 -6.205 -2.182 1.00 54.03 H new ATOM 0 HB3 ASN A 79 -18.575 -6.017 -1.477 1.00 54.03 H new ATOM 0 HD21 ASN A 79 -19.291 -9.204 -2.808 1.00 63.12 H new ATOM 0 HD22 ASN A 79 -19.007 -8.215 -1.372 1.00 63.12 H new ATOM 1200 N ASN A 80 -17.075 -2.670 -2.987 1.00 43.42 N ATOM 1201 CA ASN A 80 -16.486 -1.506 -2.306 1.00 71.42 C ATOM 1202 C ASN A 80 -15.436 -1.947 -1.335 1.00 51.45 C ATOM 1203 O ASN A 80 -15.387 -1.517 -0.185 1.00 33.31 O ATOM 1204 CB ASN A 80 -17.526 -0.574 -1.642 1.00 71.31 C ATOM 1205 CG ASN A 80 -18.303 0.245 -2.648 1.00 63.24 C ATOM 1206 OD1 ASN A 80 -17.881 1.337 -3.028 1.00 3.25 O ATOM 1207 ND2 ASN A 80 -19.433 -0.256 -3.086 1.00 25.21 N ATOM 0 H ASN A 80 -16.888 -2.690 -3.990 1.00 43.42 H new ATOM 0 HA ASN A 80 -16.019 -0.898 -3.081 1.00 71.42 H new ATOM 0 HB2 ASN A 80 -18.221 -1.173 -1.053 1.00 71.31 H new ATOM 0 HB3 ASN A 80 -17.017 0.096 -0.949 1.00 71.31 H new ATOM 0 HD21 ASN A 80 -19.992 0.263 -3.763 1.00 25.21 H new ATOM 0 HD22 ASN A 80 -19.753 -1.164 -2.749 1.00 25.21 H new ATOM 1214 N ALA A 81 -14.604 -2.819 -1.817 1.00 75.50 N ATOM 1215 CA ALA A 81 -13.511 -3.334 -1.073 1.00 41.25 C ATOM 1216 C ALA A 81 -12.285 -3.254 -1.943 1.00 45.21 C ATOM 1217 O ALA A 81 -12.399 -3.111 -3.162 1.00 52.31 O ATOM 1218 CB ALA A 81 -13.780 -4.764 -0.641 1.00 72.44 C ATOM 0 H ALA A 81 -14.674 -3.197 -2.762 1.00 75.50 H new ATOM 0 HA ALA A 81 -13.363 -2.750 -0.165 1.00 41.25 H new ATOM 0 HB1 ALA A 81 -12.929 -5.138 -0.072 1.00 72.44 H new ATOM 0 HB2 ALA A 81 -14.674 -4.794 -0.018 1.00 72.44 H new ATOM 0 HB3 ALA A 81 -13.930 -5.388 -1.522 1.00 72.44 H new ATOM 1224 N THR A 82 -11.151 -3.317 -1.347 1.00 25.31 N ATOM 1225 CA THR A 82 -9.914 -3.268 -2.051 1.00 4.34 C ATOM 1226 C THR A 82 -8.963 -4.247 -1.396 1.00 55.20 C ATOM 1227 O THR A 82 -8.848 -4.276 -0.186 1.00 34.21 O ATOM 1228 CB THR A 82 -9.312 -1.851 -1.962 1.00 45.05 C ATOM 1229 OG1 THR A 82 -10.290 -0.888 -2.379 1.00 64.40 O ATOM 1230 CG2 THR A 82 -8.065 -1.730 -2.837 1.00 71.20 C ATOM 0 H THR A 82 -11.050 -3.406 -0.336 1.00 25.31 H new ATOM 0 HA THR A 82 -10.074 -3.521 -3.099 1.00 4.34 H new ATOM 0 HB THR A 82 -9.024 -1.662 -0.928 1.00 45.05 H new ATOM 0 HG1 THR A 82 -10.953 -0.766 -1.667 1.00 64.40 H new ATOM 0 HG21 THR A 82 -7.660 -0.721 -2.756 1.00 71.20 H new ATOM 0 HG22 THR A 82 -7.316 -2.449 -2.505 1.00 71.20 H new ATOM 0 HG23 THR A 82 -8.328 -1.933 -3.875 1.00 71.20 H new ATOM 1238 N ARG A 83 -8.300 -5.041 -2.161 1.00 54.24 N ATOM 1239 CA ARG A 83 -7.352 -5.947 -1.590 1.00 34.22 C ATOM 1240 C ARG A 83 -5.990 -5.386 -1.855 1.00 23.45 C ATOM 1241 O ARG A 83 -5.702 -4.953 -2.968 1.00 55.34 O ATOM 1242 CB ARG A 83 -7.516 -7.392 -2.100 1.00 31.25 C ATOM 1243 CG ARG A 83 -6.630 -8.401 -1.361 1.00 3.21 C ATOM 1244 CD ARG A 83 -6.958 -9.840 -1.738 1.00 35.40 C ATOM 1245 NE ARG A 83 -6.107 -10.811 -1.018 1.00 1.24 N ATOM 1246 CZ ARG A 83 -5.824 -12.075 -1.412 1.00 10.00 C ATOM 1247 NH1 ARG A 83 -6.341 -12.564 -2.543 1.00 52.02 N ATOM 1248 NH2 ARG A 83 -5.032 -12.845 -0.650 1.00 52.25 N ATOM 0 H ARG A 83 -8.391 -5.086 -3.176 1.00 54.24 H new ATOM 0 HA ARG A 83 -7.519 -6.031 -0.516 1.00 34.22 H new ATOM 0 HB2 ARG A 83 -8.559 -7.690 -1.996 1.00 31.25 H new ATOM 0 HB3 ARG A 83 -7.281 -7.423 -3.164 1.00 31.25 H new ATOM 0 HG2 ARG A 83 -5.583 -8.197 -1.588 1.00 3.21 H new ATOM 0 HG3 ARG A 83 -6.754 -8.272 -0.286 1.00 3.21 H new ATOM 0 HD2 ARG A 83 -8.006 -10.043 -1.516 1.00 35.40 H new ATOM 0 HD3 ARG A 83 -6.828 -9.971 -2.812 1.00 35.40 H new ATOM 0 HE ARG A 83 -5.693 -10.499 -0.140 1.00 1.24 H new ATOM 0 HH11 ARG A 83 -6.954 -11.984 -3.116 1.00 52.02 H new ATOM 0 HH12 ARG A 83 -6.123 -13.517 -2.833 1.00 52.02 H new ATOM 0 HH21 ARG A 83 -4.647 -12.477 0.220 1.00 52.25 H new ATOM 0 HH22 ARG A 83 -4.815 -13.798 -0.941 1.00 52.25 H new ATOM 1262 N ILE A 84 -5.177 -5.354 -0.848 1.00 62.43 N ATOM 1263 CA ILE A 84 -3.922 -4.690 -0.934 1.00 52.11 C ATOM 1264 C ILE A 84 -2.829 -5.763 -0.873 1.00 45.54 C ATOM 1265 O ILE A 84 -2.933 -6.744 -0.123 1.00 33.40 O ATOM 1266 CB ILE A 84 -3.784 -3.653 0.266 1.00 72.43 C ATOM 1267 CG1 ILE A 84 -2.834 -2.505 -0.050 1.00 64.20 C ATOM 1268 CG2 ILE A 84 -3.347 -4.320 1.552 1.00 54.43 C ATOM 1269 CD1 ILE A 84 -3.352 -1.586 -1.117 1.00 15.14 C ATOM 0 H ILE A 84 -5.367 -5.788 0.055 1.00 62.43 H new ATOM 0 HA ILE A 84 -3.832 -4.129 -1.864 1.00 52.11 H new ATOM 0 HB ILE A 84 -4.785 -3.243 0.401 1.00 72.43 H new ATOM 0 HG12 ILE A 84 -2.653 -1.931 0.859 1.00 64.20 H new ATOM 0 HG13 ILE A 84 -1.874 -2.913 -0.366 1.00 64.20 H new ATOM 0 HG21 ILE A 84 -3.267 -3.572 2.341 1.00 54.43 H new ATOM 0 HG22 ILE A 84 -4.081 -5.073 1.839 1.00 54.43 H new ATOM 0 HG23 ILE A 84 -2.378 -4.796 1.404 1.00 54.43 H new ATOM 0 HD11 ILE A 84 -2.629 -0.790 -1.295 1.00 15.14 H new ATOM 0 HD12 ILE A 84 -3.506 -2.148 -2.038 1.00 15.14 H new ATOM 0 HD13 ILE A 84 -4.298 -1.151 -0.795 1.00 15.14 H new ATOM 1281 N SER A 85 -1.896 -5.654 -1.753 1.00 31.12 N ATOM 1282 CA SER A 85 -0.788 -6.560 -1.823 1.00 21.42 C ATOM 1283 C SER A 85 0.505 -5.768 -1.821 1.00 23.12 C ATOM 1284 O SER A 85 0.702 -4.894 -2.661 1.00 24.31 O ATOM 1285 CB SER A 85 -0.917 -7.426 -3.072 1.00 70.24 C ATOM 1286 OG SER A 85 -2.174 -8.087 -3.067 1.00 41.00 O ATOM 0 H SER A 85 -1.875 -4.920 -2.461 1.00 31.12 H new ATOM 0 HA SER A 85 -0.782 -7.221 -0.957 1.00 21.42 H new ATOM 0 HB2 SER A 85 -0.823 -6.809 -3.966 1.00 70.24 H new ATOM 0 HB3 SER A 85 -0.110 -8.158 -3.104 1.00 70.24 H new ATOM 0 HG SER A 85 -2.255 -8.641 -3.871 1.00 41.00 H new ATOM 1292 N ILE A 86 1.351 -6.026 -0.874 1.00 51.23 N ATOM 1293 CA ILE A 86 2.585 -5.304 -0.763 1.00 10.21 C ATOM 1294 C ILE A 86 3.763 -6.272 -0.893 1.00 55.52 C ATOM 1295 O ILE A 86 3.712 -7.393 -0.384 1.00 64.45 O ATOM 1296 CB ILE A 86 2.633 -4.509 0.586 1.00 41.41 C ATOM 1297 CG1 ILE A 86 1.385 -3.597 0.674 1.00 52.14 C ATOM 1298 CG2 ILE A 86 3.919 -3.681 0.698 1.00 5.42 C ATOM 1299 CD1 ILE A 86 1.291 -2.739 1.915 1.00 50.22 C ATOM 0 H ILE A 86 1.210 -6.739 -0.158 1.00 51.23 H new ATOM 0 HA ILE A 86 2.655 -4.576 -1.572 1.00 10.21 H new ATOM 0 HB ILE A 86 2.631 -5.215 1.417 1.00 41.41 H new ATOM 0 HG12 ILE A 86 1.371 -2.945 -0.199 1.00 52.14 H new ATOM 0 HG13 ILE A 86 0.495 -4.223 0.618 1.00 52.14 H new ATOM 0 HG21 ILE A 86 3.923 -3.141 1.645 1.00 5.42 H new ATOM 0 HG22 ILE A 86 4.783 -4.344 0.655 1.00 5.42 H new ATOM 0 HG23 ILE A 86 3.966 -2.969 -0.126 1.00 5.42 H new ATOM 0 HD11 ILE A 86 0.381 -2.140 1.875 1.00 50.22 H new ATOM 0 HD12 ILE A 86 1.267 -3.378 2.798 1.00 50.22 H new ATOM 0 HD13 ILE A 86 2.157 -2.079 1.968 1.00 50.22 H new ATOM 1311 N LYS A 87 4.815 -5.817 -1.532 1.00 71.44 N ATOM 1312 CA LYS A 87 5.988 -6.619 -1.807 1.00 21.44 C ATOM 1313 C LYS A 87 7.104 -6.062 -0.953 1.00 13.44 C ATOM 1314 O LYS A 87 7.208 -4.849 -0.792 1.00 14.12 O ATOM 1315 CB LYS A 87 6.343 -6.677 -3.345 1.00 5.31 C ATOM 1316 CG LYS A 87 7.304 -5.614 -3.900 1.00 72.24 C ATOM 1317 CD LYS A 87 8.762 -5.956 -3.595 1.00 25.25 C ATOM 1318 CE LYS A 87 9.706 -4.847 -3.990 1.00 73.24 C ATOM 1319 NZ LYS A 87 11.086 -5.129 -3.525 1.00 42.40 N ATOM 0 H LYS A 87 4.883 -4.862 -1.883 1.00 71.44 H new ATOM 0 HA LYS A 87 5.808 -7.663 -1.549 1.00 21.44 H new ATOM 0 HB2 LYS A 87 6.772 -7.657 -3.553 1.00 5.31 H new ATOM 0 HB3 LYS A 87 5.411 -6.611 -3.906 1.00 5.31 H new ATOM 0 HG2 LYS A 87 7.168 -5.528 -4.978 1.00 72.24 H new ATOM 0 HG3 LYS A 87 7.060 -4.643 -3.470 1.00 72.24 H new ATOM 0 HD2 LYS A 87 8.870 -6.159 -2.530 1.00 25.25 H new ATOM 0 HD3 LYS A 87 9.037 -6.869 -4.123 1.00 25.25 H new ATOM 0 HE2 LYS A 87 9.701 -4.730 -5.074 1.00 73.24 H new ATOM 0 HE3 LYS A 87 9.362 -3.904 -3.566 1.00 73.24 H new ATOM 0 HZ1 LYS A 87 11.611 -4.236 -3.433 1.00 42.40 H new ATOM 0 HZ2 LYS A 87 11.050 -5.607 -2.602 1.00 42.40 H new ATOM 0 HZ3 LYS A 87 11.566 -5.743 -4.214 1.00 42.40 H new ATOM 1333 N TYR A 88 7.899 -6.924 -0.395 1.00 31.25 N ATOM 1334 CA TYR A 88 8.818 -6.574 0.670 1.00 22.00 C ATOM 1335 C TYR A 88 10.206 -6.173 0.187 1.00 42.15 C ATOM 1336 O TYR A 88 10.612 -6.446 -0.958 1.00 32.24 O ATOM 1337 CB TYR A 88 8.951 -7.767 1.629 1.00 62.14 C ATOM 1338 CG TYR A 88 9.456 -9.053 0.974 1.00 42.43 C ATOM 1339 CD1 TYR A 88 8.598 -9.877 0.250 1.00 52.22 C ATOM 1340 CD2 TYR A 88 10.788 -9.437 1.080 1.00 43.35 C ATOM 1341 CE1 TYR A 88 9.048 -11.032 -0.347 1.00 54.22 C ATOM 1342 CE2 TYR A 88 11.246 -10.596 0.484 1.00 41.32 C ATOM 1343 CZ TYR A 88 10.370 -11.387 -0.231 1.00 32.30 C ATOM 1344 OH TYR A 88 10.818 -12.536 -0.826 1.00 74.33 O ATOM 0 H TYR A 88 7.936 -7.907 -0.664 1.00 31.25 H new ATOM 0 HA TYR A 88 8.396 -5.699 1.166 1.00 22.00 H new ATOM 0 HB2 TYR A 88 9.631 -7.494 2.436 1.00 62.14 H new ATOM 0 HB3 TYR A 88 7.979 -7.962 2.083 1.00 62.14 H new ATOM 0 HD1 TYR A 88 7.557 -9.604 0.155 1.00 52.22 H new ATOM 0 HD2 TYR A 88 11.476 -8.819 1.638 1.00 43.35 H new ATOM 0 HE1 TYR A 88 8.365 -11.656 -0.904 1.00 54.22 H new ATOM 0 HE2 TYR A 88 12.283 -10.881 0.577 1.00 41.32 H new ATOM 0 HH TYR A 88 11.776 -12.643 -0.651 1.00 74.33 H new ATOM 1354 N GLY A 89 10.867 -5.421 1.043 1.00 63.32 N ATOM 1355 CA GLY A 89 12.214 -5.000 0.828 1.00 22.13 C ATOM 1356 C GLY A 89 13.146 -5.723 1.777 1.00 54.53 C ATOM 1357 O GLY A 89 12.821 -6.821 2.223 1.00 0.20 O ATOM 0 H GLY A 89 10.466 -5.086 1.919 1.00 63.32 H new ATOM 0 HA2 GLY A 89 12.505 -5.201 -0.203 1.00 22.13 H new ATOM 0 HA3 GLY A 89 12.294 -3.923 0.978 1.00 22.13 H new ATOM 1361 N SER A 90 14.234 -5.085 2.157 1.00 62.23 N ATOM 1362 CA SER A 90 15.251 -5.720 2.987 1.00 12.11 C ATOM 1363 C SER A 90 14.810 -5.867 4.451 1.00 15.52 C ATOM 1364 O SER A 90 15.317 -6.712 5.176 1.00 24.44 O ATOM 1365 CB SER A 90 16.584 -4.956 2.872 1.00 71.03 C ATOM 1366 OG SER A 90 16.414 -3.559 3.124 1.00 75.41 O ATOM 0 H SER A 90 14.442 -4.119 1.904 1.00 62.23 H new ATOM 0 HA SER A 90 15.396 -6.733 2.612 1.00 12.11 H new ATOM 0 HB2 SER A 90 17.303 -5.369 3.580 1.00 71.03 H new ATOM 0 HB3 SER A 90 17.001 -5.098 1.875 1.00 71.03 H new ATOM 0 HG SER A 90 17.178 -3.065 2.758 1.00 75.41 H new ATOM 1372 N GLN A 91 13.857 -5.050 4.873 1.00 42.54 N ATOM 1373 CA GLN A 91 13.377 -5.102 6.253 1.00 31.25 C ATOM 1374 C GLN A 91 12.148 -5.990 6.379 1.00 24.11 C ATOM 1375 O GLN A 91 11.719 -6.309 7.481 1.00 54.22 O ATOM 1376 CB GLN A 91 12.998 -3.714 6.756 1.00 44.12 C ATOM 1377 CG GLN A 91 14.113 -2.689 6.773 1.00 21.13 C ATOM 1378 CD GLN A 91 13.634 -1.381 7.362 1.00 33.11 C ATOM 1379 OE1 GLN A 91 12.759 -1.363 8.216 1.00 12.14 O ATOM 1380 NE2 GLN A 91 14.196 -0.287 6.921 1.00 62.30 N ATOM 0 H GLN A 91 13.402 -4.348 4.289 1.00 42.54 H new ATOM 0 HA GLN A 91 14.194 -5.509 6.849 1.00 31.25 H new ATOM 0 HB2 GLN A 91 12.189 -3.332 6.134 1.00 44.12 H new ATOM 0 HB3 GLN A 91 12.604 -3.810 7.768 1.00 44.12 H new ATOM 0 HG2 GLN A 91 14.953 -3.069 7.355 1.00 21.13 H new ATOM 0 HG3 GLN A 91 14.477 -2.524 5.759 1.00 21.13 H new ATOM 0 HE21 GLN A 91 14.923 -0.339 6.208 1.00 62.30 H new ATOM 0 HE22 GLN A 91 13.908 0.619 7.290 1.00 62.30 H new ATOM 1389 N GLY A 92 11.600 -6.405 5.253 1.00 45.42 N ATOM 1390 CA GLY A 92 10.337 -7.097 5.293 1.00 43.42 C ATOM 1391 C GLY A 92 9.218 -6.082 5.443 1.00 13.12 C ATOM 1392 O GLY A 92 8.992 -5.539 6.525 1.00 63.24 O ATOM 0 H GLY A 92 12.001 -6.277 4.324 1.00 45.42 H new ATOM 0 HA2 GLY A 92 10.198 -7.678 4.381 1.00 43.42 H new ATOM 0 HA3 GLY A 92 10.320 -7.801 6.125 1.00 43.42 H new ATOM 1396 N ASN A 93 8.487 -5.839 4.376 1.00 10.12 N ATOM 1397 CA ASN A 93 7.504 -4.752 4.375 1.00 51.53 C ATOM 1398 C ASN A 93 6.313 -4.953 5.257 1.00 61.21 C ATOM 1399 O ASN A 93 5.610 -4.008 5.496 1.00 34.24 O ATOM 1400 CB ASN A 93 7.092 -4.268 2.971 1.00 15.33 C ATOM 1401 CG ASN A 93 8.134 -3.344 2.376 1.00 51.34 C ATOM 1402 OD1 ASN A 93 8.812 -2.664 3.089 1.00 51.35 O ATOM 1403 ND2 ASN A 93 8.261 -3.301 1.085 1.00 65.34 N ATOM 0 H ASN A 93 8.545 -6.366 3.504 1.00 10.12 H new ATOM 0 HA ASN A 93 8.070 -3.943 4.837 1.00 51.53 H new ATOM 0 HB2 ASN A 93 6.949 -5.127 2.316 1.00 15.33 H new ATOM 0 HB3 ASN A 93 6.135 -3.749 3.030 1.00 15.33 H new ATOM 0 HD21 ASN A 93 8.949 -2.679 0.661 1.00 65.34 H new ATOM 0 HD22 ASN A 93 7.673 -3.889 0.495 1.00 65.34 H new ATOM 1410 N SER A 94 6.131 -6.156 5.795 1.00 75.21 N ATOM 1411 CA SER A 94 4.997 -6.473 6.663 1.00 54.14 C ATOM 1412 C SER A 94 4.843 -5.453 7.816 1.00 71.02 C ATOM 1413 O SER A 94 3.731 -5.035 8.135 1.00 64.44 O ATOM 1414 CB SER A 94 5.172 -7.879 7.215 1.00 4.40 C ATOM 1415 OG SER A 94 5.404 -8.791 6.158 1.00 54.40 O ATOM 0 H SER A 94 6.765 -6.940 5.642 1.00 75.21 H new ATOM 0 HA SER A 94 4.085 -6.417 6.069 1.00 54.14 H new ATOM 0 HB2 SER A 94 6.007 -7.902 7.915 1.00 4.40 H new ATOM 0 HB3 SER A 94 4.282 -8.173 7.771 1.00 4.40 H new ATOM 0 HG SER A 94 5.517 -9.693 6.523 1.00 54.40 H new ATOM 1421 N ILE A 95 5.962 -5.023 8.391 1.00 4.11 N ATOM 1422 CA ILE A 95 5.949 -4.039 9.479 1.00 2.23 C ATOM 1423 C ILE A 95 5.453 -2.683 8.960 1.00 50.51 C ATOM 1424 O ILE A 95 4.553 -2.069 9.549 1.00 72.24 O ATOM 1425 CB ILE A 95 7.357 -3.903 10.192 1.00 12.24 C ATOM 1426 CG1 ILE A 95 7.653 -5.105 11.131 1.00 70.52 C ATOM 1427 CG2 ILE A 95 7.476 -2.595 10.980 1.00 31.33 C ATOM 1428 CD1 ILE A 95 7.696 -6.467 10.468 1.00 12.01 C ATOM 0 H ILE A 95 6.894 -5.339 8.124 1.00 4.11 H new ATOM 0 HA ILE A 95 5.256 -4.400 10.239 1.00 2.23 H new ATOM 0 HB ILE A 95 8.098 -3.896 9.393 1.00 12.24 H new ATOM 0 HG12 ILE A 95 8.611 -4.931 11.622 1.00 70.52 H new ATOM 0 HG13 ILE A 95 6.893 -5.126 11.913 1.00 70.52 H new ATOM 0 HG21 ILE A 95 8.457 -2.543 11.453 1.00 31.33 H new ATOM 0 HG22 ILE A 95 7.354 -1.750 10.303 1.00 31.33 H new ATOM 0 HG23 ILE A 95 6.702 -2.560 11.746 1.00 31.33 H new ATOM 0 HD11 ILE A 95 7.910 -7.230 11.217 1.00 12.01 H new ATOM 0 HD12 ILE A 95 6.733 -6.676 10.002 1.00 12.01 H new ATOM 0 HD13 ILE A 95 8.476 -6.477 9.707 1.00 12.01 H new ATOM 1440 N ARG A 96 5.993 -2.262 7.823 1.00 44.23 N ATOM 1441 CA ARG A 96 5.597 -1.008 7.195 1.00 12.43 C ATOM 1442 C ARG A 96 4.130 -1.078 6.770 1.00 60.43 C ATOM 1443 O ARG A 96 3.381 -0.131 6.956 1.00 70.14 O ATOM 1444 CB ARG A 96 6.480 -0.692 5.979 1.00 35.22 C ATOM 1445 CG ARG A 96 7.957 -0.459 6.292 1.00 33.13 C ATOM 1446 CD ARG A 96 8.723 -0.168 5.013 1.00 11.34 C ATOM 1447 NE ARG A 96 10.157 0.094 5.227 1.00 51.35 N ATOM 1448 CZ ARG A 96 11.135 -0.247 4.377 1.00 71.41 C ATOM 1449 NH1 ARG A 96 10.911 -1.082 3.387 1.00 33.43 N ATOM 1450 NH2 ARG A 96 12.339 0.194 4.568 1.00 54.42 N ATOM 0 H ARG A 96 6.712 -2.776 7.314 1.00 44.23 H new ATOM 0 HA ARG A 96 5.726 -0.208 7.924 1.00 12.43 H new ATOM 0 HB2 ARG A 96 6.401 -1.515 5.269 1.00 35.22 H new ATOM 0 HB3 ARG A 96 6.085 0.195 5.484 1.00 35.22 H new ATOM 0 HG2 ARG A 96 8.062 0.375 6.986 1.00 33.13 H new ATOM 0 HG3 ARG A 96 8.375 -1.337 6.784 1.00 33.13 H new ATOM 0 HD2 ARG A 96 8.615 -1.014 4.335 1.00 11.34 H new ATOM 0 HD3 ARG A 96 8.275 0.695 4.520 1.00 11.34 H new ATOM 0 HE ARG A 96 10.426 0.571 6.088 1.00 51.35 H new ATOM 0 HH11 ARG A 96 9.981 -1.481 3.257 1.00 33.43 H new ATOM 0 HH12 ARG A 96 11.667 -1.331 2.749 1.00 33.43 H new ATOM 0 HH21 ARG A 96 12.540 0.799 5.364 1.00 54.42 H new ATOM 0 HH22 ARG A 96 13.085 -0.064 3.922 1.00 54.42 H new ATOM 1464 N SER A 97 3.733 -2.232 6.232 1.00 43.31 N ATOM 1465 CA SER A 97 2.375 -2.482 5.798 1.00 21.55 C ATOM 1466 C SER A 97 1.398 -2.344 6.958 1.00 0.11 C ATOM 1467 O SER A 97 0.374 -1.702 6.817 1.00 32.23 O ATOM 1468 CB SER A 97 2.280 -3.889 5.221 1.00 21.23 C ATOM 1469 OG SER A 97 3.206 -4.068 4.166 1.00 62.35 O ATOM 0 H SER A 97 4.360 -3.023 6.087 1.00 43.31 H new ATOM 0 HA SER A 97 2.114 -1.746 5.037 1.00 21.55 H new ATOM 0 HB2 SER A 97 2.471 -4.621 6.005 1.00 21.23 H new ATOM 0 HB3 SER A 97 1.269 -4.069 4.856 1.00 21.23 H new ATOM 0 HG SER A 97 4.109 -4.158 4.535 1.00 62.35 H new ATOM 1475 N SER A 98 1.758 -2.906 8.104 1.00 62.01 N ATOM 1476 CA SER A 98 0.920 -2.871 9.292 1.00 54.50 C ATOM 1477 C SER A 98 0.605 -1.417 9.701 1.00 21.23 C ATOM 1478 O SER A 98 -0.550 -1.069 9.969 1.00 31.33 O ATOM 1479 CB SER A 98 1.613 -3.642 10.424 1.00 4.33 C ATOM 1480 OG SER A 98 1.846 -4.995 10.036 1.00 30.52 O ATOM 0 H SER A 98 2.641 -3.399 8.235 1.00 62.01 H new ATOM 0 HA SER A 98 -0.034 -3.353 9.077 1.00 54.50 H new ATOM 0 HB2 SER A 98 2.559 -3.161 10.674 1.00 4.33 H new ATOM 0 HB3 SER A 98 0.995 -3.616 11.321 1.00 4.33 H new ATOM 0 HG SER A 98 2.599 -5.031 9.410 1.00 30.52 H new ATOM 1486 N ALA A 99 1.626 -0.573 9.697 1.00 25.44 N ATOM 1487 CA ALA A 99 1.451 0.831 10.022 1.00 35.13 C ATOM 1488 C ALA A 99 0.682 1.550 8.914 1.00 24.42 C ATOM 1489 O ALA A 99 -0.218 2.345 9.186 1.00 63.41 O ATOM 1490 CB ALA A 99 2.797 1.496 10.270 1.00 63.43 C ATOM 0 H ALA A 99 2.585 -0.838 9.472 1.00 25.44 H new ATOM 0 HA ALA A 99 0.865 0.901 10.939 1.00 35.13 H new ATOM 0 HB1 ALA A 99 2.644 2.548 10.512 1.00 63.43 H new ATOM 0 HB2 ALA A 99 3.299 1.002 11.101 1.00 63.43 H new ATOM 0 HB3 ALA A 99 3.413 1.416 9.374 1.00 63.43 H new ATOM 1496 N LEU A 100 1.032 1.232 7.670 1.00 53.22 N ATOM 1497 CA LEU A 100 0.432 1.824 6.486 1.00 11.25 C ATOM 1498 C LEU A 100 -1.068 1.608 6.478 1.00 43.12 C ATOM 1499 O LEU A 100 -1.817 2.531 6.220 1.00 12.23 O ATOM 1500 CB LEU A 100 1.037 1.197 5.240 1.00 24.43 C ATOM 1501 CG LEU A 100 0.763 1.907 3.912 1.00 0.22 C ATOM 1502 CD1 LEU A 100 1.354 3.310 3.922 1.00 73.22 C ATOM 1503 CD2 LEU A 100 1.325 1.099 2.756 1.00 3.12 C ATOM 0 H LEU A 100 1.754 0.543 7.457 1.00 53.22 H new ATOM 0 HA LEU A 100 0.631 2.896 6.497 1.00 11.25 H new ATOM 0 HB2 LEU A 100 2.117 1.138 5.378 1.00 24.43 H new ATOM 0 HB3 LEU A 100 0.670 0.174 5.161 1.00 24.43 H new ATOM 0 HG LEU A 100 -0.316 1.993 3.782 1.00 0.22 H new ATOM 0 HD11 LEU A 100 1.149 3.798 2.969 1.00 73.22 H new ATOM 0 HD12 LEU A 100 0.906 3.888 4.730 1.00 73.22 H new ATOM 0 HD13 LEU A 100 2.432 3.250 4.074 1.00 73.22 H new ATOM 0 HD21 LEU A 100 1.123 1.616 1.818 1.00 3.12 H new ATOM 0 HD22 LEU A 100 2.402 0.984 2.882 1.00 3.12 H new ATOM 0 HD23 LEU A 100 0.855 0.116 2.737 1.00 3.12 H new ATOM 1515 N ILE A 101 -1.487 0.398 6.823 1.00 63.30 N ATOM 1516 CA ILE A 101 -2.916 0.034 6.855 1.00 40.34 C ATOM 1517 C ILE A 101 -3.670 0.950 7.820 1.00 14.12 C ATOM 1518 O ILE A 101 -4.752 1.464 7.485 1.00 34.33 O ATOM 1519 CB ILE A 101 -3.131 -1.464 7.287 1.00 55.45 C ATOM 1520 CG1 ILE A 101 -2.512 -2.454 6.275 1.00 41.43 C ATOM 1521 CG2 ILE A 101 -4.608 -1.785 7.522 1.00 73.32 C ATOM 1522 CD1 ILE A 101 -3.081 -2.384 4.868 1.00 73.15 C ATOM 0 H ILE A 101 -0.859 -0.361 7.088 1.00 63.30 H new ATOM 0 HA ILE A 101 -3.304 0.155 5.844 1.00 40.34 H new ATOM 0 HB ILE A 101 -2.608 -1.588 8.235 1.00 55.45 H new ATOM 0 HG12 ILE A 101 -1.438 -2.273 6.225 1.00 41.43 H new ATOM 0 HG13 ILE A 101 -2.647 -3.467 6.654 1.00 41.43 H new ATOM 0 HG21 ILE A 101 -4.711 -2.829 7.818 1.00 73.32 H new ATOM 0 HG22 ILE A 101 -4.999 -1.143 8.312 1.00 73.32 H new ATOM 0 HG23 ILE A 101 -5.169 -1.612 6.603 1.00 73.32 H new ATOM 0 HD11 ILE A 101 -2.580 -3.118 4.236 1.00 73.15 H new ATOM 0 HD12 ILE A 101 -4.149 -2.598 4.896 1.00 73.15 H new ATOM 0 HD13 ILE A 101 -2.922 -1.386 4.461 1.00 73.15 H new ATOM 1534 N GLY A 102 -3.059 1.208 8.975 1.00 31.22 N ATOM 1535 CA GLY A 102 -3.662 2.076 9.967 1.00 41.55 C ATOM 1536 C GLY A 102 -3.842 3.479 9.444 1.00 21.33 C ATOM 1537 O GLY A 102 -4.860 4.122 9.674 1.00 71.31 O ATOM 0 H GLY A 102 -2.151 0.827 9.240 1.00 31.22 H new ATOM 0 HA2 GLY A 102 -4.629 1.672 10.265 1.00 41.55 H new ATOM 0 HA3 GLY A 102 -3.037 2.098 10.860 1.00 41.55 H new ATOM 1541 N ILE A 103 -2.861 3.935 8.726 1.00 22.13 N ATOM 1542 CA ILE A 103 -2.872 5.255 8.150 1.00 64.34 C ATOM 1543 C ILE A 103 -3.885 5.357 7.004 1.00 51.34 C ATOM 1544 O ILE A 103 -4.597 6.369 6.883 1.00 35.50 O ATOM 1545 CB ILE A 103 -1.464 5.636 7.665 1.00 24.33 C ATOM 1546 CG1 ILE A 103 -0.496 5.569 8.846 1.00 14.12 C ATOM 1547 CG2 ILE A 103 -1.468 7.033 7.041 1.00 41.04 C ATOM 1548 CD1 ILE A 103 0.952 5.622 8.458 1.00 30.55 C ATOM 0 H ILE A 103 -2.019 3.399 8.518 1.00 22.13 H new ATOM 0 HA ILE A 103 -3.179 5.958 8.924 1.00 64.34 H new ATOM 0 HB ILE A 103 -1.142 4.934 6.896 1.00 24.33 H new ATOM 0 HG12 ILE A 103 -0.709 6.396 9.524 1.00 14.12 H new ATOM 0 HG13 ILE A 103 -0.679 4.648 9.399 1.00 14.12 H new ATOM 0 HG21 ILE A 103 -0.462 7.284 6.704 1.00 41.04 H new ATOM 0 HG22 ILE A 103 -2.150 7.050 6.191 1.00 41.04 H new ATOM 0 HG23 ILE A 103 -1.795 7.762 7.783 1.00 41.04 H new ATOM 0 HD11 ILE A 103 1.571 5.569 9.354 1.00 30.55 H new ATOM 0 HD12 ILE A 103 1.185 4.780 7.806 1.00 30.55 H new ATOM 0 HD13 ILE A 103 1.154 6.555 7.932 1.00 30.55 H new ATOM 1560 N ILE A 104 -3.966 4.306 6.185 1.00 52.44 N ATOM 1561 CA ILE A 104 -4.868 4.312 5.042 1.00 60.45 C ATOM 1562 C ILE A 104 -6.301 4.427 5.516 1.00 64.13 C ATOM 1563 O ILE A 104 -7.032 5.329 5.077 1.00 24.53 O ATOM 1564 CB ILE A 104 -4.720 3.017 4.179 1.00 54.50 C ATOM 1565 CG1 ILE A 104 -3.313 2.927 3.585 1.00 3.11 C ATOM 1566 CG2 ILE A 104 -5.767 3.004 3.055 1.00 53.13 C ATOM 1567 CD1 ILE A 104 -2.978 1.555 3.020 1.00 22.25 C ATOM 0 H ILE A 104 -3.422 3.450 6.294 1.00 52.44 H new ATOM 0 HA ILE A 104 -4.604 5.170 4.423 1.00 60.45 H new ATOM 0 HB ILE A 104 -4.883 2.153 4.824 1.00 54.50 H new ATOM 0 HG12 ILE A 104 -3.213 3.671 2.794 1.00 3.11 H new ATOM 0 HG13 ILE A 104 -2.585 3.181 4.356 1.00 3.11 H new ATOM 0 HG21 ILE A 104 -5.653 2.097 2.462 1.00 53.13 H new ATOM 0 HG22 ILE A 104 -6.767 3.030 3.489 1.00 53.13 H new ATOM 0 HG23 ILE A 104 -5.626 3.876 2.416 1.00 53.13 H new ATOM 0 HD11 ILE A 104 -1.966 1.565 2.616 1.00 22.25 H new ATOM 0 HD12 ILE A 104 -3.045 0.809 3.812 1.00 22.25 H new ATOM 0 HD13 ILE A 104 -3.683 1.306 2.227 1.00 22.25 H new ATOM 1579 N GLU A 105 -6.699 3.567 6.444 1.00 54.33 N ATOM 1580 CA GLU A 105 -8.029 3.676 6.959 1.00 14.41 C ATOM 1581 C GLU A 105 -8.227 4.912 7.797 1.00 1.32 C ATOM 1582 O GLU A 105 -9.296 5.452 7.821 1.00 63.44 O ATOM 1583 CB GLU A 105 -8.622 2.443 7.603 1.00 41.05 C ATOM 1584 CG GLU A 105 -8.140 2.097 8.974 1.00 21.43 C ATOM 1585 CD GLU A 105 -9.243 1.359 9.685 1.00 63.00 C ATOM 1586 OE1 GLU A 105 -9.573 0.230 9.274 1.00 54.04 O ATOM 1587 OE2 GLU A 105 -9.876 1.957 10.593 1.00 5.00 O ATOM 0 H GLU A 105 -6.132 2.815 6.836 1.00 54.33 H new ATOM 0 HA GLU A 105 -8.622 3.780 6.050 1.00 14.41 H new ATOM 0 HB2 GLU A 105 -9.704 2.570 7.646 1.00 41.05 H new ATOM 0 HB3 GLU A 105 -8.427 1.592 6.950 1.00 41.05 H new ATOM 0 HG2 GLU A 105 -7.244 1.480 8.918 1.00 21.43 H new ATOM 0 HG3 GLU A 105 -7.871 3.000 9.522 1.00 21.43 H new ATOM 1594 N GLY A 106 -7.175 5.350 8.491 1.00 73.22 N ATOM 1595 CA GLY A 106 -7.260 6.515 9.364 1.00 53.24 C ATOM 1596 C GLY A 106 -7.691 7.766 8.621 1.00 40.51 C ATOM 1597 O GLY A 106 -8.467 8.569 9.146 1.00 52.34 O ATOM 0 H GLY A 106 -6.254 4.912 8.463 1.00 73.22 H new ATOM 0 HA2 GLY A 106 -7.967 6.312 10.168 1.00 53.24 H new ATOM 0 HA3 GLY A 106 -6.290 6.688 9.829 1.00 53.24 H new ATOM 1601 N ASN A 107 -7.229 7.914 7.391 1.00 4.22 N ATOM 1602 CA ASN A 107 -7.661 9.031 6.538 1.00 23.44 C ATOM 1603 C ASN A 107 -9.146 8.867 6.215 1.00 44.14 C ATOM 1604 O ASN A 107 -9.923 9.823 6.236 1.00 72.14 O ATOM 1605 CB ASN A 107 -6.832 9.072 5.242 1.00 30.40 C ATOM 1606 CG ASN A 107 -7.270 10.172 4.272 1.00 72.12 C ATOM 1607 OD1 ASN A 107 -6.816 11.295 4.354 1.00 1.30 O ATOM 1608 ND2 ASN A 107 -8.122 9.838 3.325 1.00 35.31 N ATOM 0 H ASN A 107 -6.558 7.283 6.954 1.00 4.22 H new ATOM 0 HA ASN A 107 -7.505 9.971 7.067 1.00 23.44 H new ATOM 0 HB2 ASN A 107 -5.782 9.219 5.496 1.00 30.40 H new ATOM 0 HB3 ASN A 107 -6.906 8.106 4.742 1.00 30.40 H new ATOM 0 HD21 ASN A 107 -8.416 10.531 2.636 1.00 35.31 H new ATOM 0 HD22 ASN A 107 -8.487 8.887 3.280 1.00 35.31 H new ATOM 1615 N ILE A 108 -9.529 7.631 5.975 1.00 41.14 N ATOM 1616 CA ILE A 108 -10.899 7.266 5.675 1.00 15.23 C ATOM 1617 C ILE A 108 -11.792 7.491 6.910 1.00 20.42 C ATOM 1618 O ILE A 108 -12.913 7.952 6.791 1.00 42.50 O ATOM 1619 CB ILE A 108 -10.988 5.792 5.198 1.00 65.42 C ATOM 1620 CG1 ILE A 108 -10.102 5.601 3.960 1.00 1.10 C ATOM 1621 CG2 ILE A 108 -12.435 5.399 4.893 1.00 31.33 C ATOM 1622 CD1 ILE A 108 -10.011 4.177 3.475 1.00 22.33 C ATOM 0 H ILE A 108 -8.887 6.838 5.983 1.00 41.14 H new ATOM 0 HA ILE A 108 -11.255 7.903 4.865 1.00 15.23 H new ATOM 0 HB ILE A 108 -10.632 5.142 5.997 1.00 65.42 H new ATOM 0 HG12 ILE A 108 -10.488 6.223 3.152 1.00 1.10 H new ATOM 0 HG13 ILE A 108 -9.098 5.960 4.187 1.00 1.10 H new ATOM 0 HG21 ILE A 108 -12.468 4.361 4.561 1.00 31.33 H new ATOM 0 HG22 ILE A 108 -13.040 5.511 5.793 1.00 31.33 H new ATOM 0 HG23 ILE A 108 -12.829 6.044 4.108 1.00 31.33 H new ATOM 0 HD11 ILE A 108 -9.366 4.132 2.598 1.00 22.33 H new ATOM 0 HD12 ILE A 108 -9.595 3.550 4.264 1.00 22.33 H new ATOM 0 HD13 ILE A 108 -11.006 3.818 3.213 1.00 22.33 H new ATOM 1634 N ARG A 109 -11.248 7.180 8.090 1.00 34.03 N ATOM 1635 CA ARG A 109 -11.937 7.326 9.379 1.00 15.50 C ATOM 1636 C ARG A 109 -12.368 8.755 9.584 1.00 14.44 C ATOM 1637 O ARG A 109 -13.456 8.992 10.073 1.00 22.51 O ATOM 1638 CB ARG A 109 -11.012 6.946 10.555 1.00 50.32 C ATOM 1639 CG ARG A 109 -10.605 5.477 10.679 1.00 61.41 C ATOM 1640 CD ARG A 109 -11.693 4.585 11.280 1.00 12.05 C ATOM 1641 NE ARG A 109 -12.897 4.445 10.444 1.00 22.00 N ATOM 1642 CZ ARG A 109 -13.213 3.319 9.781 1.00 34.13 C ATOM 1643 NH1 ARG A 109 -12.359 2.303 9.747 1.00 42.10 N ATOM 1644 NH2 ARG A 109 -14.387 3.221 9.156 1.00 23.21 N ATOM 0 H ARG A 109 -10.300 6.813 8.180 1.00 34.03 H new ATOM 0 HA ARG A 109 -12.800 6.661 9.357 1.00 15.50 H new ATOM 0 HB2 ARG A 109 -10.103 7.543 10.476 1.00 50.32 H new ATOM 0 HB3 ARG A 109 -11.506 7.239 11.481 1.00 50.32 H new ATOM 0 HG2 ARG A 109 -10.341 5.098 9.692 1.00 61.41 H new ATOM 0 HG3 ARG A 109 -9.709 5.408 11.296 1.00 61.41 H new ATOM 0 HD2 ARG A 109 -11.275 3.595 11.461 1.00 12.05 H new ATOM 0 HD3 ARG A 109 -11.984 4.991 12.249 1.00 12.05 H new ATOM 0 HE ARG A 109 -13.525 5.245 10.364 1.00 22.00 H new ATOM 0 HH11 ARG A 109 -11.461 2.376 10.225 1.00 42.10 H new ATOM 0 HH12 ARG A 109 -12.601 1.450 9.243 1.00 42.10 H new ATOM 0 HH21 ARG A 109 -15.045 4.000 9.181 1.00 23.21 H new ATOM 0 HH22 ARG A 109 -14.627 2.367 8.653 1.00 23.21 H new ATOM 1658 N TYR A 110 -11.516 9.697 9.186 1.00 44.35 N ATOM 1659 CA TYR A 110 -11.828 11.110 9.333 1.00 70.14 C ATOM 1660 C TYR A 110 -13.058 11.459 8.505 1.00 14.05 C ATOM 1661 O TYR A 110 -14.042 11.919 9.049 1.00 3.04 O ATOM 1662 CB TYR A 110 -10.621 11.971 8.918 1.00 73.32 C ATOM 1663 CG TYR A 110 -10.843 13.471 9.025 1.00 52.00 C ATOM 1664 CD1 TYR A 110 -10.968 14.088 10.264 1.00 63.24 C ATOM 1665 CD2 TYR A 110 -10.928 14.268 7.885 1.00 21.02 C ATOM 1666 CE1 TYR A 110 -11.170 15.452 10.367 1.00 21.40 C ATOM 1667 CE2 TYR A 110 -11.125 15.634 7.981 1.00 50.45 C ATOM 1668 CZ TYR A 110 -11.247 16.221 9.225 1.00 44.43 C ATOM 1669 OH TYR A 110 -11.437 17.587 9.331 1.00 2.41 O ATOM 0 H TYR A 110 -10.609 9.505 8.761 1.00 44.35 H new ATOM 0 HA TYR A 110 -12.047 11.320 10.380 1.00 70.14 H new ATOM 0 HB2 TYR A 110 -9.767 11.699 9.539 1.00 73.32 H new ATOM 0 HB3 TYR A 110 -10.357 11.729 7.889 1.00 73.32 H new ATOM 0 HD1 TYR A 110 -10.906 13.492 11.162 1.00 63.24 H new ATOM 0 HD2 TYR A 110 -10.839 13.812 6.910 1.00 21.02 H new ATOM 0 HE1 TYR A 110 -11.267 15.914 11.339 1.00 21.40 H new ATOM 0 HE2 TYR A 110 -11.183 16.238 7.088 1.00 50.45 H new ATOM 0 HH TYR A 110 -11.468 17.983 8.435 1.00 2.41 H new ATOM 1679 N ALA A 111 -13.032 11.087 7.227 1.00 30.23 N ATOM 1680 CA ALA A 111 -14.142 11.364 6.293 1.00 63.13 C ATOM 1681 C ALA A 111 -15.404 10.586 6.686 1.00 51.23 C ATOM 1682 O ALA A 111 -16.512 10.912 6.300 1.00 11.03 O ATOM 1683 CB ALA A 111 -13.727 11.019 4.871 1.00 51.10 C ATOM 0 H ALA A 111 -12.250 10.588 6.803 1.00 30.23 H new ATOM 0 HA ALA A 111 -14.375 12.428 6.346 1.00 63.13 H new ATOM 0 HB1 ALA A 111 -14.553 11.227 4.190 1.00 51.10 H new ATOM 0 HB2 ALA A 111 -12.863 11.621 4.588 1.00 51.10 H new ATOM 0 HB3 ALA A 111 -13.467 9.962 4.814 1.00 51.10 H new ATOM 1689 N ASN A 112 -15.191 9.515 7.402 1.00 3.52 N ATOM 1690 CA ASN A 112 -16.251 8.652 7.882 1.00 21.44 C ATOM 1691 C ASN A 112 -16.956 9.276 9.103 1.00 52.20 C ATOM 1692 O ASN A 112 -18.018 8.819 9.518 1.00 41.41 O ATOM 1693 CB ASN A 112 -15.641 7.267 8.209 1.00 73.21 C ATOM 1694 CG ASN A 112 -16.618 6.173 8.636 1.00 63.52 C ATOM 1695 OD1 ASN A 112 -16.238 5.264 9.383 1.00 11.12 O ATOM 1696 ND2 ASN A 112 -17.838 6.212 8.160 1.00 23.43 N ATOM 0 H ASN A 112 -14.258 9.207 7.677 1.00 3.52 H new ATOM 0 HA ASN A 112 -17.015 8.531 7.114 1.00 21.44 H new ATOM 0 HB2 ASN A 112 -15.100 6.917 7.330 1.00 73.21 H new ATOM 0 HB3 ASN A 112 -14.907 7.397 9.004 1.00 73.21 H new ATOM 0 HD21 ASN A 112 -18.504 5.479 8.404 1.00 23.43 H new ATOM 0 HD22 ASN A 112 -18.122 6.975 7.546 1.00 23.43 H new ATOM 1703 N THR A 113 -16.367 10.320 9.660 1.00 20.20 N ATOM 1704 CA THR A 113 -16.940 10.984 10.817 1.00 24.25 C ATOM 1705 C THR A 113 -17.217 12.479 10.568 1.00 63.30 C ATOM 1706 O THR A 113 -18.211 13.023 11.064 1.00 13.34 O ATOM 1707 CB THR A 113 -16.047 10.805 12.079 1.00 53.54 C ATOM 1708 OG1 THR A 113 -14.679 11.169 11.793 1.00 30.12 O ATOM 1709 CG2 THR A 113 -16.093 9.369 12.588 1.00 53.22 C ATOM 0 H THR A 113 -15.492 10.726 9.329 1.00 20.20 H new ATOM 0 HA THR A 113 -17.900 10.500 10.997 1.00 24.25 H new ATOM 0 HB THR A 113 -16.441 11.464 12.853 1.00 53.54 H new ATOM 0 HG1 THR A 113 -14.620 11.534 10.885 1.00 30.12 H new ATOM 0 HG21 THR A 113 -15.460 9.275 13.470 1.00 53.22 H new ATOM 0 HG22 THR A 113 -17.119 9.108 12.848 1.00 53.22 H new ATOM 0 HG23 THR A 113 -15.734 8.696 11.810 1.00 53.22 H new ATOM 1717 N HIS A 114 -16.352 13.110 9.798 1.00 63.31 N ATOM 1718 CA HIS A 114 -16.410 14.519 9.499 1.00 45.24 C ATOM 1719 C HIS A 114 -15.452 14.773 8.330 1.00 33.24 C ATOM 1720 O HIS A 114 -14.257 15.055 8.588 1.00 64.14 O ATOM 1721 CB HIS A 114 -15.979 15.344 10.747 1.00 55.12 C ATOM 1722 CG HIS A 114 -15.964 16.841 10.556 1.00 41.14 C ATOM 1723 ND1 HIS A 114 -15.001 17.495 9.832 1.00 13.32 N ATOM 1724 CD2 HIS A 114 -16.798 17.802 11.023 1.00 12.35 C ATOM 1725 CE1 HIS A 114 -15.253 18.798 9.877 1.00 12.23 C ATOM 1726 NE2 HIS A 114 -16.341 19.049 10.592 1.00 54.14 N ATOM 0 H HIS A 114 -15.566 12.637 9.351 1.00 63.31 H new ATOM 0 HA HIS A 114 -17.423 14.822 9.234 1.00 45.24 H new ATOM 0 HB2 HIS A 114 -16.653 15.106 11.570 1.00 55.12 H new ATOM 0 HB3 HIS A 114 -14.982 15.023 11.048 1.00 55.12 H new ATOM 0 HD1 HIS A 114 -14.222 17.055 9.342 1.00 13.32 H new ATOM 0 HD2 HIS A 114 -17.674 17.631 11.630 1.00 12.35 H new ATOM 0 HE1 HIS A 114 -14.651 19.554 9.395 1.00 12.23 H new TER 1734 HIS A 114