USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 924 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 GLN :FLIP amide:sc= -0.899 F(o=-1.5!,f=-1) USER MOD Set 1.2: A 97 ASN : amide:sc= -0.304 K(o=-1,f=-2.2) USER MOD Set 1.3: A 108 THR OG1 : rot -97:sc= 0.168 USER MOD Set 2.1: A 93 GLN : amide:sc= -0.796 X(o=-0.45,f=-0.19) USER MOD Set 2.2: A 110 GLN : amide:sc= 0.343 K(o=-0.45,f=-1) USER MOD Set 3.1: A 74 LYS NZ :NH3+ 177:sc= 1.23 (180deg=0) USER MOD Set 3.2: A 89 ASN : amide:sc= 0.975 K(o=2.2,f=-7.6!) USER MOD Set 4.1: A 56 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.76) USER MOD Set 4.2: A 59 GLN : amide:sc= 0 X(o=-0.41,f=-0.87) USER MOD Set 5.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 49 SER OG : rot 112:sc= 0.151 USER MOD Set 6.1: A 29 GLN : amide:sc= 0.0578 X(o=0.25,f=0.0031) USER MOD Set 6.2: A 32 ASN : amide:sc= 0.192 K(o=0.25,f=-5!) USER MOD Set 6.3: A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 0.826 (180deg=-0.312) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 158:sc= -0.144 (180deg=-0.822) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 26 ASN : amide:sc= -0.372 K(o=-0.37,f=-4.4!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -1.01 F(o=-2.8!,f=-1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 131:sc= 0.992 (180deg=0.315) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -34:sc= 0.042 USER MOD Single : A 60 SER OG : rot -29:sc= 0.0546 USER MOD Single : A 61 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 71 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 78 MET CE :methyl -166:sc= -0.0487 (180deg=-0.347) USER MOD Single : A 80 THR OG1 : rot -110:sc= -0.574 USER MOD Single : A 81 ASN : amide:sc= -0.0633 K(o=-0.063,f=-1.9!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= 0.18 K(o=0.18,f=-4.6!) USER MOD Single : A 117 ASN :FLIP amide:sc= -0.0117 F(o=-1.2,f=-0.012) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 120:sc= 1.42 USER MOD Single : A 122 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=-0.025) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.015) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.766 -20.281 0.513 1.00 0.00 N ATOM 2 CA MET A 1 8.491 -20.329 1.269 1.00 52.33 C ATOM 3 C MET A 1 7.804 -18.968 1.275 1.00 71.33 C ATOM 4 O MET A 1 6.650 -18.855 1.695 1.00 1.24 O ATOM 5 CB MET A 1 8.723 -20.807 2.710 1.00 2.44 C ATOM 6 CG MET A 1 9.662 -19.927 3.524 1.00 75.50 C ATOM 7 SD MET A 1 11.379 -20.049 2.986 1.00 21.34 S ATOM 8 CE MET A 1 12.166 -18.899 4.111 1.00 13.04 C ATOM 0 H1 MET A 1 10.075 -21.249 0.291 1.00 0.00 H new ATOM 0 H2 MET A 1 9.626 -19.751 -0.371 1.00 0.00 H new ATOM 0 H3 MET A 1 10.493 -19.809 1.088 1.00 0.00 H new ATOM 0 HA MET A 1 7.839 -21.043 0.766 1.00 52.33 H new ATOM 0 HB2 MET A 1 7.762 -20.860 3.221 1.00 2.44 H new ATOM 0 HB3 MET A 1 9.126 -21.819 2.683 1.00 2.44 H new ATOM 0 HG2 MET A 1 9.336 -18.890 3.449 1.00 75.50 H new ATOM 0 HG3 MET A 1 9.595 -20.207 4.575 1.00 75.50 H new ATOM 0 HE1 MET A 1 13.236 -18.862 3.904 1.00 13.04 H new ATOM 0 HE2 MET A 1 11.736 -17.906 3.977 1.00 13.04 H new ATOM 0 HE3 MET A 1 12.006 -19.228 5.138 1.00 13.04 H new ATOM 20 N ALA A 2 8.522 -17.941 0.818 1.00 12.30 N ATOM 21 CA ALA A 2 7.980 -16.592 0.696 1.00 21.34 C ATOM 22 C ALA A 2 7.639 -15.995 2.059 1.00 14.20 C ATOM 23 O ALA A 2 8.011 -16.538 3.102 1.00 72.13 O ATOM 24 CB ALA A 2 6.763 -16.581 -0.219 1.00 74.23 C ATOM 0 H ALA A 2 9.495 -18.024 0.523 1.00 12.30 H new ATOM 0 HA ALA A 2 8.753 -15.967 0.250 1.00 21.34 H new ATOM 0 HB1 ALA A 2 6.375 -15.565 -0.296 1.00 74.23 H new ATOM 0 HB2 ALA A 2 7.049 -16.936 -1.209 1.00 74.23 H new ATOM 0 HB3 ALA A 2 5.993 -17.234 0.192 1.00 74.23 H new ATOM 30 N GLY A 3 6.935 -14.872 2.041 1.00 50.23 N ATOM 31 CA GLY A 3 6.588 -14.188 3.272 1.00 65.14 C ATOM 32 C GLY A 3 7.131 -12.775 3.303 1.00 23.21 C ATOM 33 O GLY A 3 6.707 -11.954 4.115 1.00 32.24 O ATOM 0 H GLY A 3 6.596 -14.420 1.192 1.00 50.23 H new ATOM 0 HA2 GLY A 3 5.504 -14.163 3.381 1.00 65.14 H new ATOM 0 HA3 GLY A 3 6.981 -14.747 4.121 1.00 65.14 H new ATOM 37 N THR A 4 8.072 -12.494 2.409 1.00 43.32 N ATOM 38 CA THR A 4 8.685 -11.178 2.324 1.00 31.21 C ATOM 39 C THR A 4 7.720 -10.157 1.711 1.00 2.41 C ATOM 40 O THR A 4 7.710 -9.931 0.498 1.00 63.23 O ATOM 41 CB THR A 4 9.990 -11.223 1.500 1.00 4.31 C ATOM 42 OG1 THR A 4 10.865 -12.230 2.037 1.00 72.25 O ATOM 43 CG2 THR A 4 10.700 -9.873 1.517 1.00 71.44 C ATOM 0 H THR A 4 8.427 -13.166 1.729 1.00 43.32 H new ATOM 0 HA THR A 4 8.924 -10.867 3.341 1.00 31.21 H new ATOM 0 HB THR A 4 9.733 -11.463 0.468 1.00 4.31 H new ATOM 0 HG1 THR A 4 11.692 -12.259 1.512 1.00 72.25 H new ATOM 0 HG21 THR A 4 11.615 -9.936 0.928 1.00 71.44 H new ATOM 0 HG22 THR A 4 10.046 -9.112 1.091 1.00 71.44 H new ATOM 0 HG23 THR A 4 10.947 -9.605 2.544 1.00 71.44 H new ATOM 51 N MET A 5 6.878 -9.587 2.559 1.00 11.31 N ATOM 52 CA MET A 5 5.989 -8.508 2.161 1.00 75.43 C ATOM 53 C MET A 5 6.138 -7.355 3.137 1.00 15.13 C ATOM 54 O MET A 5 5.498 -7.330 4.189 1.00 24.32 O ATOM 55 CB MET A 5 4.530 -8.968 2.118 1.00 22.24 C ATOM 56 CG MET A 5 4.259 -10.064 1.102 1.00 23.44 C ATOM 57 SD MET A 5 2.512 -10.515 1.014 1.00 11.43 S ATOM 58 CE MET A 5 1.795 -8.969 0.452 1.00 45.42 C ATOM 0 H MET A 5 6.792 -9.858 3.538 1.00 11.31 H new ATOM 0 HA MET A 5 6.264 -8.188 1.156 1.00 75.43 H new ATOM 0 HB2 MET A 5 4.242 -9.324 3.107 1.00 22.24 H new ATOM 0 HB3 MET A 5 3.896 -8.111 1.891 1.00 22.24 H new ATOM 0 HG2 MET A 5 4.595 -9.734 0.119 1.00 23.44 H new ATOM 0 HG3 MET A 5 4.845 -10.946 1.360 1.00 23.44 H new ATOM 0 HE1 MET A 5 0.831 -9.165 -0.018 1.00 45.42 H new ATOM 0 HE2 MET A 5 1.655 -8.302 1.303 1.00 45.42 H new ATOM 0 HE3 MET A 5 2.463 -8.500 -0.271 1.00 45.42 H new ATOM 68 N THR A 6 7.010 -6.420 2.801 1.00 41.42 N ATOM 69 CA THR A 6 7.313 -5.316 3.693 1.00 43.12 C ATOM 70 C THR A 6 6.466 -4.095 3.371 1.00 64.43 C ATOM 71 O THR A 6 6.321 -3.200 4.208 1.00 60.42 O ATOM 72 CB THR A 6 8.811 -4.937 3.637 1.00 74.21 C ATOM 73 OG1 THR A 6 9.212 -4.642 2.288 1.00 54.11 O ATOM 74 CG2 THR A 6 9.674 -6.058 4.189 1.00 62.12 C ATOM 0 H THR A 6 7.520 -6.404 1.918 1.00 41.42 H new ATOM 0 HA THR A 6 7.076 -5.652 4.702 1.00 43.12 H new ATOM 0 HB THR A 6 8.950 -4.048 4.252 1.00 74.21 H new ATOM 0 HG1 THR A 6 10.162 -4.403 2.274 1.00 54.11 H new ATOM 0 HG21 THR A 6 10.723 -5.768 4.139 1.00 62.12 H new ATOM 0 HG22 THR A 6 9.400 -6.251 5.226 1.00 62.12 H new ATOM 0 HG23 THR A 6 9.519 -6.961 3.599 1.00 62.12 H new ATOM 82 N PHE A 7 5.885 -4.092 2.167 1.00 42.33 N ATOM 83 CA PHE A 7 5.104 -2.963 1.654 1.00 74.33 C ATOM 84 C PHE A 7 6.005 -1.758 1.388 1.00 63.13 C ATOM 85 O PHE A 7 6.068 -1.266 0.261 1.00 64.35 O ATOM 86 CB PHE A 7 3.961 -2.600 2.609 1.00 24.13 C ATOM 87 CG PHE A 7 3.017 -3.741 2.866 1.00 71.12 C ATOM 88 CD1 PHE A 7 3.062 -4.440 4.060 1.00 75.04 C ATOM 89 CD2 PHE A 7 2.096 -4.123 1.905 1.00 54.44 C ATOM 90 CE1 PHE A 7 2.208 -5.499 4.293 1.00 24.44 C ATOM 91 CE2 PHE A 7 1.237 -5.180 2.132 1.00 13.11 C ATOM 92 CZ PHE A 7 1.293 -5.870 3.327 1.00 63.23 C ATOM 0 H PHE A 7 5.944 -4.877 1.518 1.00 42.33 H new ATOM 0 HA PHE A 7 4.657 -3.265 0.707 1.00 74.33 H new ATOM 0 HB2 PHE A 7 4.381 -2.265 3.557 1.00 24.13 H new ATOM 0 HB3 PHE A 7 3.402 -1.761 2.194 1.00 24.13 H new ATOM 0 HD1 PHE A 7 3.775 -4.153 4.819 1.00 75.04 H new ATOM 0 HD2 PHE A 7 2.049 -3.588 0.968 1.00 54.44 H new ATOM 0 HE1 PHE A 7 2.255 -6.036 5.229 1.00 24.44 H new ATOM 0 HE2 PHE A 7 0.522 -5.467 1.375 1.00 13.11 H new ATOM 0 HZ PHE A 7 0.623 -6.698 3.506 1.00 63.23 H new ATOM 102 N GLN A 8 6.696 -1.302 2.436 1.00 31.11 N ATOM 103 CA GLN A 8 7.717 -0.256 2.346 1.00 22.32 C ATOM 104 C GLN A 8 7.107 1.125 2.105 1.00 73.41 C ATOM 105 O GLN A 8 7.223 2.013 2.954 1.00 70.13 O ATOM 106 CB GLN A 8 8.730 -0.585 1.246 1.00 44.31 C ATOM 107 CG GLN A 8 9.890 0.392 1.172 1.00 2.34 C ATOM 108 CD GLN A 8 10.761 0.162 -0.045 1.00 35.43 C ATOM 109 OE1 GLN A 8 11.716 -0.614 -0.003 1.00 50.31 O ATOM 110 NE2 GLN A 8 10.439 0.843 -1.135 1.00 14.45 N ATOM 0 H GLN A 8 6.560 -1.654 3.384 1.00 31.11 H new ATOM 0 HA GLN A 8 8.230 -0.226 3.307 1.00 22.32 H new ATOM 0 HB2 GLN A 8 9.122 -1.588 1.413 1.00 44.31 H new ATOM 0 HB3 GLN A 8 8.217 -0.600 0.284 1.00 44.31 H new ATOM 0 HG2 GLN A 8 9.503 1.411 1.151 1.00 2.34 H new ATOM 0 HG3 GLN A 8 10.497 0.300 2.073 1.00 2.34 H new ATOM 0 HE21 GLN A 8 9.639 1.475 -1.124 1.00 14.45 H new ATOM 0 HE22 GLN A 8 10.991 0.735 -1.986 1.00 14.45 H new ATOM 119 N PHE A 9 6.462 1.288 0.949 1.00 73.24 N ATOM 120 CA PHE A 9 5.914 2.576 0.523 1.00 4.13 C ATOM 121 C PHE A 9 7.037 3.601 0.356 1.00 32.53 C ATOM 122 O PHE A 9 8.221 3.256 0.405 1.00 20.24 O ATOM 123 CB PHE A 9 4.869 3.096 1.524 1.00 55.13 C ATOM 124 CG PHE A 9 3.724 2.151 1.756 1.00 3.12 C ATOM 125 CD1 PHE A 9 3.618 1.454 2.950 1.00 54.02 C ATOM 126 CD2 PHE A 9 2.756 1.962 0.784 1.00 53.11 C ATOM 127 CE1 PHE A 9 2.565 0.588 3.169 1.00 4.52 C ATOM 128 CE2 PHE A 9 1.702 1.096 0.999 1.00 31.40 C ATOM 129 CZ PHE A 9 1.606 0.408 2.192 1.00 63.11 C ATOM 0 H PHE A 9 6.305 0.532 0.283 1.00 73.24 H new ATOM 0 HA PHE A 9 5.419 2.428 -0.437 1.00 4.13 H new ATOM 0 HB2 PHE A 9 5.361 3.296 2.476 1.00 55.13 H new ATOM 0 HB3 PHE A 9 4.475 4.046 1.163 1.00 55.13 H new ATOM 0 HD1 PHE A 9 4.367 1.590 3.716 1.00 54.02 H new ATOM 0 HD2 PHE A 9 2.826 2.497 -0.151 1.00 53.11 H new ATOM 0 HE1 PHE A 9 2.492 0.052 4.104 1.00 4.52 H new ATOM 0 HE2 PHE A 9 0.953 0.957 0.234 1.00 31.40 H new ATOM 0 HZ PHE A 9 0.782 -0.270 2.361 1.00 63.11 H new ATOM 139 N ARG A 10 6.664 4.849 0.130 1.00 62.51 N ATOM 140 CA ARG A 10 7.633 5.932 0.047 1.00 44.32 C ATOM 141 C ARG A 10 7.031 7.233 0.561 1.00 21.34 C ATOM 142 O ARG A 10 7.681 7.959 1.314 1.00 35.21 O ATOM 143 CB ARG A 10 8.157 6.101 -1.385 1.00 21.20 C ATOM 144 CG ARG A 10 7.084 6.048 -2.460 1.00 72.03 C ATOM 145 CD ARG A 10 7.678 6.258 -3.843 1.00 53.43 C ATOM 146 NE ARG A 10 8.178 7.622 -4.025 1.00 61.25 N ATOM 147 CZ ARG A 10 9.065 7.978 -4.954 1.00 52.03 C ATOM 148 NH1 ARG A 10 9.604 7.067 -5.754 1.00 11.40 N1+ ATOM 149 NH2 ARG A 10 9.415 9.250 -5.070 1.00 60.33 N ATOM 0 H ARG A 10 5.695 5.139 0.000 1.00 62.51 H new ATOM 0 HA ARG A 10 8.480 5.672 0.682 1.00 44.32 H new ATOM 0 HB2 ARG A 10 8.679 7.055 -1.457 1.00 21.20 H new ATOM 0 HB3 ARG A 10 8.891 5.321 -1.584 1.00 21.20 H new ATOM 0 HG2 ARG A 10 6.576 5.084 -2.423 1.00 72.03 H new ATOM 0 HG3 ARG A 10 6.332 6.813 -2.265 1.00 72.03 H new ATOM 0 HD2 ARG A 10 8.492 5.550 -3.999 1.00 53.43 H new ATOM 0 HD3 ARG A 10 6.921 6.046 -4.598 1.00 53.43 H new ATOM 0 HE ARG A 10 7.825 8.347 -3.400 1.00 61.25 H new ATOM 0 HH11 ARG A 10 9.340 6.086 -5.661 1.00 11.40 H new ATOM 0 HH12 ARG A 10 10.282 7.348 -6.462 1.00 11.40 H new ATOM 0 HH21 ARG A 10 9.006 9.950 -4.451 1.00 60.33 H new ATOM 0 HH22 ARG A 10 10.093 9.530 -5.779 1.00 60.33 H new ATOM 163 N ASN A 11 5.785 7.507 0.157 1.00 4.11 N ATOM 164 CA ASN A 11 5.041 8.688 0.613 1.00 44.33 C ATOM 165 C ASN A 11 5.634 9.985 0.058 1.00 62.55 C ATOM 166 O ASN A 11 6.841 10.091 -0.162 1.00 3.33 O ATOM 167 CB ASN A 11 4.992 8.744 2.147 1.00 42.41 C ATOM 168 CG ASN A 11 4.225 7.582 2.745 1.00 62.50 C ATOM 169 OD1 ASN A 11 3.273 7.082 2.153 1.00 63.14 O ATOM 170 ND2 ASN A 11 4.643 7.134 3.917 1.00 43.24 N ATOM 0 H ASN A 11 5.265 6.918 -0.494 1.00 4.11 H new ATOM 0 HA ASN A 11 4.025 8.594 0.229 1.00 44.33 H new ATOM 0 HB2 ASN A 11 6.009 8.745 2.540 1.00 42.41 H new ATOM 0 HB3 ASN A 11 4.529 9.680 2.459 1.00 42.41 H new ATOM 0 HD21 ASN A 11 4.170 6.346 4.360 1.00 43.24 H new ATOM 0 HD22 ASN A 11 5.438 7.576 4.378 1.00 43.24 H new ATOM 177 N PRO A 12 4.780 10.990 -0.206 1.00 71.33 N ATOM 178 CA PRO A 12 5.233 12.307 -0.660 1.00 34.14 C ATOM 179 C PRO A 12 5.975 13.053 0.444 1.00 51.42 C ATOM 180 O PRO A 12 7.057 13.601 0.216 1.00 63.23 O ATOM 181 CB PRO A 12 3.935 13.044 -1.023 1.00 5.44 C ATOM 182 CG PRO A 12 2.870 11.996 -1.055 1.00 13.40 C ATOM 183 CD PRO A 12 3.316 10.921 -0.108 1.00 22.12 C ATOM 0 HA PRO A 12 5.931 12.234 -1.494 1.00 34.14 H new ATOM 0 HB2 PRO A 12 3.704 13.815 -0.288 1.00 5.44 H new ATOM 0 HB3 PRO A 12 4.024 13.541 -1.989 1.00 5.44 H new ATOM 0 HG2 PRO A 12 1.908 12.409 -0.751 1.00 13.40 H new ATOM 0 HG3 PRO A 12 2.743 11.600 -2.063 1.00 13.40 H new ATOM 0 HD2 PRO A 12 2.969 11.108 0.908 1.00 22.12 H new ATOM 0 HD3 PRO A 12 2.937 9.942 -0.400 1.00 22.12 H new ATOM 191 N ASN A 13 5.374 13.044 1.635 1.00 41.30 N ATOM 192 CA ASN A 13 5.938 13.675 2.834 1.00 75.43 C ATOM 193 C ASN A 13 5.968 15.197 2.725 1.00 53.44 C ATOM 194 O ASN A 13 6.603 15.756 1.827 1.00 60.03 O ATOM 195 CB ASN A 13 7.342 13.138 3.143 1.00 5.35 C ATOM 196 CG ASN A 13 7.970 13.828 4.343 1.00 12.51 C ATOM 197 OD1 ASN A 13 8.698 14.812 4.200 1.00 74.54 O ATOM 198 ND2 ASN A 13 7.691 13.317 5.533 1.00 31.22 N ATOM 0 H ASN A 13 4.473 12.595 1.798 1.00 41.30 H new ATOM 0 HA ASN A 13 5.277 13.414 3.660 1.00 75.43 H new ATOM 0 HB2 ASN A 13 7.286 12.066 3.331 1.00 5.35 H new ATOM 0 HB3 ASN A 13 7.982 13.276 2.271 1.00 5.35 H new ATOM 0 HD21 ASN A 13 8.084 13.739 6.374 1.00 31.22 H new ATOM 0 HD22 ASN A 13 7.083 12.501 5.608 1.00 31.22 H new ATOM 205 N PHE A 14 5.278 15.851 3.658 1.00 62.35 N ATOM 206 CA PHE A 14 5.242 17.309 3.750 1.00 0.14 C ATOM 207 C PHE A 14 4.416 17.933 2.629 1.00 75.23 C ATOM 208 O PHE A 14 4.693 17.755 1.439 1.00 23.43 O ATOM 209 CB PHE A 14 6.657 17.901 3.766 1.00 41.22 C ATOM 210 CG PHE A 14 6.679 19.406 3.830 1.00 21.33 C ATOM 211 CD1 PHE A 14 6.391 20.066 5.014 1.00 5.43 C ATOM 212 CD2 PHE A 14 6.987 20.159 2.706 1.00 23.12 C ATOM 213 CE1 PHE A 14 6.411 21.447 5.077 1.00 32.32 C ATOM 214 CE2 PHE A 14 7.007 21.539 2.764 1.00 54.41 C ATOM 215 CZ PHE A 14 6.718 22.183 3.949 1.00 3.14 C ATOM 0 H PHE A 14 4.725 15.381 4.375 1.00 62.35 H new ATOM 0 HA PHE A 14 4.755 17.552 4.694 1.00 0.14 H new ATOM 0 HB2 PHE A 14 7.200 17.501 4.622 1.00 41.22 H new ATOM 0 HB3 PHE A 14 7.188 17.576 2.872 1.00 41.22 H new ATOM 0 HD1 PHE A 14 6.148 19.495 5.898 1.00 5.43 H new ATOM 0 HD2 PHE A 14 7.214 19.660 1.775 1.00 23.12 H new ATOM 0 HE1 PHE A 14 6.187 21.949 6.006 1.00 32.32 H new ATOM 0 HE2 PHE A 14 7.249 22.113 1.882 1.00 54.41 H new ATOM 0 HZ PHE A 14 6.732 23.262 3.995 1.00 3.14 H new ATOM 225 N GLY A 15 3.395 18.667 3.034 1.00 54.15 N ATOM 226 CA GLY A 15 2.580 19.416 2.103 1.00 71.23 C ATOM 227 C GLY A 15 2.221 20.769 2.679 1.00 65.22 C ATOM 228 O GLY A 15 2.831 21.204 3.658 1.00 42.44 O ATOM 0 H GLY A 15 3.112 18.759 4.010 1.00 54.15 H new ATOM 0 HA2 GLY A 15 3.117 19.546 1.163 1.00 71.23 H new ATOM 0 HA3 GLY A 15 1.671 18.858 1.876 1.00 71.23 H new ATOM 232 N GLY A 16 1.248 21.441 2.083 1.00 14.53 N ATOM 233 CA GLY A 16 0.799 22.711 2.616 1.00 0.24 C ATOM 234 C GLY A 16 0.691 23.778 1.552 1.00 22.35 C ATOM 235 O GLY A 16 1.065 23.558 0.396 1.00 73.33 O ATOM 0 H GLY A 16 0.762 21.131 1.242 1.00 14.53 H new ATOM 0 HA2 GLY A 16 -0.172 22.578 3.093 1.00 0.24 H new ATOM 0 HA3 GLY A 16 1.492 23.042 3.390 1.00 0.24 H new ATOM 239 N ASN A 17 0.184 24.935 1.939 1.00 43.33 N ATOM 240 CA ASN A 17 -0.004 26.038 1.011 1.00 1.12 C ATOM 241 C ASN A 17 1.033 27.124 1.262 1.00 62.33 C ATOM 242 O ASN A 17 1.403 27.384 2.406 1.00 61.32 O ATOM 243 CB ASN A 17 -1.413 26.624 1.157 1.00 21.55 C ATOM 244 CG ASN A 17 -2.502 25.644 0.769 1.00 72.14 C ATOM 245 OD1 ASN A 17 -2.311 24.793 -0.102 1.00 51.22 O ATOM 246 ND2 ASN A 17 -3.656 25.761 1.402 1.00 0.34 N ATOM 0 H ASN A 17 -0.107 25.137 2.896 1.00 43.33 H new ATOM 0 HA ASN A 17 0.119 25.658 -0.003 1.00 1.12 H new ATOM 0 HB2 ASN A 17 -1.565 26.938 2.190 1.00 21.55 H new ATOM 0 HB3 ASN A 17 -1.496 27.516 0.536 1.00 21.55 H new ATOM 0 HD21 ASN A 17 -4.428 25.134 1.175 1.00 0.34 H new ATOM 0 HD22 ASN A 17 -3.775 26.478 2.117 1.00 0.34 H new ATOM 253 N PRO A 18 1.513 27.773 0.194 1.00 24.35 N ATOM 254 CA PRO A 18 2.497 28.846 0.306 1.00 21.23 C ATOM 255 C PRO A 18 1.878 30.142 0.822 1.00 14.44 C ATOM 256 O PRO A 18 0.871 30.623 0.290 1.00 61.41 O ATOM 257 CB PRO A 18 2.995 29.020 -1.131 1.00 45.30 C ATOM 258 CG PRO A 18 1.859 28.575 -1.985 1.00 32.23 C ATOM 259 CD PRO A 18 1.141 27.504 -1.210 1.00 15.21 C ATOM 0 HA PRO A 18 3.288 28.607 1.017 1.00 21.23 H new ATOM 0 HB2 PRO A 18 3.260 30.057 -1.335 1.00 45.30 H new ATOM 0 HB3 PRO A 18 3.887 28.421 -1.316 1.00 45.30 H new ATOM 0 HG2 PRO A 18 1.191 29.407 -2.208 1.00 32.23 H new ATOM 0 HG3 PRO A 18 2.218 28.190 -2.939 1.00 32.23 H new ATOM 0 HD2 PRO A 18 0.062 27.560 -1.356 1.00 15.21 H new ATOM 0 HD3 PRO A 18 1.453 26.507 -1.522 1.00 15.21 H new ATOM 267 N ASN A 19 2.464 30.691 1.873 1.00 23.42 N ATOM 268 CA ASN A 19 2.015 31.966 2.414 1.00 64.52 C ATOM 269 C ASN A 19 2.777 33.104 1.747 1.00 63.24 C ATOM 270 O ASN A 19 3.939 33.366 2.071 1.00 74.52 O ATOM 271 CB ASN A 19 2.210 32.011 3.932 1.00 34.52 C ATOM 272 CG ASN A 19 1.698 33.299 4.548 1.00 65.20 C ATOM 273 OD1 ASN A 19 0.746 33.904 4.054 1.00 30.24 O ATOM 274 ND2 ASN A 19 2.324 33.724 5.631 1.00 44.43 N ATOM 0 H ASN A 19 3.252 30.275 2.370 1.00 23.42 H new ATOM 0 HA ASN A 19 0.951 32.079 2.207 1.00 64.52 H new ATOM 0 HB2 ASN A 19 1.694 31.165 4.386 1.00 34.52 H new ATOM 0 HB3 ASN A 19 3.270 31.899 4.162 1.00 34.52 H new ATOM 0 HD21 ASN A 19 2.023 34.584 6.090 1.00 44.43 H new ATOM 0 HD22 ASN A 19 3.109 33.193 6.008 1.00 44.43 H new ATOM 281 N ASN A 20 2.124 33.760 0.800 1.00 0.34 N ATOM 282 CA ASN A 20 2.752 34.821 0.021 1.00 2.02 C ATOM 283 C ASN A 20 2.079 36.159 0.288 1.00 40.34 C ATOM 284 O ASN A 20 0.893 36.338 0.010 1.00 74.24 O ATOM 285 CB ASN A 20 2.695 34.483 -1.474 1.00 1.51 C ATOM 286 CG ASN A 20 3.276 35.579 -2.353 1.00 51.11 C ATOM 287 OD1 ASN A 20 2.554 36.455 -2.835 1.00 52.43 O ATOM 288 ND2 ASN A 20 4.581 35.537 -2.569 1.00 2.01 N ATOM 0 H ASN A 20 1.152 33.576 0.550 1.00 0.34 H new ATOM 0 HA ASN A 20 3.796 34.899 0.325 1.00 2.02 H new ATOM 0 HB2 ASN A 20 3.239 33.555 -1.652 1.00 1.51 H new ATOM 0 HB3 ASN A 20 1.659 34.305 -1.762 1.00 1.51 H new ATOM 0 HD21 ASN A 20 5.024 36.246 -3.153 1.00 2.01 H new ATOM 0 HD22 ASN A 20 5.143 34.795 -2.152 1.00 2.01 H new ATOM 295 N GLY A 21 2.842 37.093 0.832 1.00 62.44 N ATOM 296 CA GLY A 21 2.304 38.401 1.141 1.00 13.55 C ATOM 297 C GLY A 21 2.515 39.383 0.008 1.00 0.45 C ATOM 298 O GLY A 21 3.410 39.196 -0.819 1.00 25.41 O ATOM 0 H GLY A 21 3.827 36.969 1.066 1.00 62.44 H new ATOM 0 HA2 GLY A 21 1.238 38.314 1.352 1.00 13.55 H new ATOM 0 HA3 GLY A 21 2.778 38.783 2.045 1.00 13.55 H new ATOM 302 N ALA A 22 1.697 40.424 -0.034 1.00 11.14 N ATOM 303 CA ALA A 22 1.807 41.438 -1.070 1.00 24.15 C ATOM 304 C ALA A 22 2.958 42.392 -0.773 1.00 21.32 C ATOM 305 O ALA A 22 3.218 42.731 0.384 1.00 64.10 O ATOM 306 CB ALA A 22 0.501 42.206 -1.196 1.00 21.11 C ATOM 0 H ALA A 22 0.948 40.588 0.639 1.00 11.14 H new ATOM 0 HA ALA A 22 2.013 40.940 -2.017 1.00 24.15 H new ATOM 0 HB1 ALA A 22 0.597 42.962 -1.975 1.00 21.11 H new ATOM 0 HB2 ALA A 22 -0.303 41.517 -1.456 1.00 21.11 H new ATOM 0 HB3 ALA A 22 0.271 42.690 -0.247 1.00 21.11 H new ATOM 312 N PHE A 23 3.647 42.808 -1.821 1.00 32.04 N ATOM 313 CA PHE A 23 4.753 43.743 -1.694 1.00 53.22 C ATOM 314 C PHE A 23 4.496 44.964 -2.569 1.00 65.32 C ATOM 315 O PHE A 23 4.421 44.862 -3.794 1.00 62.34 O ATOM 316 CB PHE A 23 6.082 43.061 -2.062 1.00 65.22 C ATOM 317 CG PHE A 23 6.099 42.423 -3.427 1.00 71.25 C ATOM 318 CD1 PHE A 23 6.739 43.042 -4.487 1.00 53.43 C ATOM 319 CD2 PHE A 23 5.471 41.206 -3.650 1.00 21.43 C ATOM 320 CE1 PHE A 23 6.753 42.463 -5.740 1.00 0.12 C ATOM 321 CE2 PHE A 23 5.483 40.622 -4.901 1.00 3.24 C ATOM 322 CZ PHE A 23 6.124 41.252 -5.948 1.00 64.54 C ATOM 0 H PHE A 23 3.458 42.510 -2.778 1.00 32.04 H new ATOM 0 HA PHE A 23 4.828 44.071 -0.657 1.00 53.22 H new ATOM 0 HB2 PHE A 23 6.882 43.800 -2.010 1.00 65.22 H new ATOM 0 HB3 PHE A 23 6.304 42.298 -1.315 1.00 65.22 H new ATOM 0 HD1 PHE A 23 7.233 43.990 -4.332 1.00 53.43 H new ATOM 0 HD2 PHE A 23 4.966 40.709 -2.835 1.00 21.43 H new ATOM 0 HE1 PHE A 23 7.256 42.958 -6.558 1.00 0.12 H new ATOM 0 HE2 PHE A 23 4.991 39.674 -5.060 1.00 3.24 H new ATOM 0 HZ PHE A 23 6.134 40.799 -6.928 1.00 64.54 H new ATOM 332 N LEU A 24 4.324 46.115 -1.939 1.00 53.34 N ATOM 333 CA LEU A 24 3.998 47.330 -2.669 1.00 51.34 C ATOM 334 C LEU A 24 4.906 48.483 -2.266 1.00 45.44 C ATOM 335 O LEU A 24 5.142 48.703 -1.077 1.00 10.11 O ATOM 336 CB LEU A 24 2.534 47.715 -2.435 1.00 62.32 C ATOM 337 CG LEU A 24 1.502 46.702 -2.936 1.00 3.14 C ATOM 338 CD1 LEU A 24 0.096 47.160 -2.593 1.00 23.03 C ATOM 339 CD2 LEU A 24 1.640 46.496 -4.436 1.00 11.23 C ATOM 0 H LEU A 24 4.404 46.234 -0.929 1.00 53.34 H new ATOM 0 HA LEU A 24 4.154 47.130 -3.729 1.00 51.34 H new ATOM 0 HB2 LEU A 24 2.382 47.865 -1.366 1.00 62.32 H new ATOM 0 HB3 LEU A 24 2.345 48.672 -2.922 1.00 62.32 H new ATOM 0 HG LEU A 24 1.687 45.750 -2.438 1.00 3.14 H new ATOM 0 HD11 LEU A 24 -0.624 46.427 -2.957 1.00 23.03 H new ATOM 0 HD12 LEU A 24 -0.001 47.258 -1.512 1.00 23.03 H new ATOM 0 HD13 LEU A 24 -0.098 48.124 -3.064 1.00 23.03 H new ATOM 0 HD21 LEU A 24 0.898 45.773 -4.774 1.00 11.23 H new ATOM 0 HD22 LEU A 24 1.482 47.444 -4.950 1.00 11.23 H new ATOM 0 HD23 LEU A 24 2.639 46.123 -4.662 1.00 11.23 H new ATOM 351 N LEU A 25 5.418 49.186 -3.282 1.00 14.23 N ATOM 352 CA LEU A 25 6.221 50.415 -3.132 1.00 22.42 C ATOM 353 C LEU A 25 7.429 50.266 -2.194 1.00 42.44 C ATOM 354 O LEU A 25 7.706 49.188 -1.665 1.00 41.32 O ATOM 355 CB LEU A 25 5.334 51.614 -2.717 1.00 52.44 C ATOM 356 CG LEU A 25 4.593 51.514 -1.371 1.00 3.52 C ATOM 357 CD1 LEU A 25 5.483 51.945 -0.211 1.00 35.34 C ATOM 358 CD2 LEU A 25 3.317 52.343 -1.404 1.00 34.05 C ATOM 0 H LEU A 25 5.285 48.914 -4.256 1.00 14.23 H new ATOM 0 HA LEU A 25 6.641 50.612 -4.118 1.00 22.42 H new ATOM 0 HB2 LEU A 25 5.962 52.504 -2.691 1.00 52.44 H new ATOM 0 HB3 LEU A 25 4.592 51.771 -3.500 1.00 52.44 H new ATOM 0 HG LEU A 25 4.327 50.469 -1.213 1.00 3.52 H new ATOM 0 HD11 LEU A 25 4.928 51.862 0.724 1.00 35.34 H new ATOM 0 HD12 LEU A 25 6.363 51.303 -0.169 1.00 35.34 H new ATOM 0 HD13 LEU A 25 5.795 52.979 -0.357 1.00 35.34 H new ATOM 0 HD21 LEU A 25 2.805 52.261 -0.445 1.00 34.05 H new ATOM 0 HD22 LEU A 25 3.566 53.387 -1.595 1.00 34.05 H new ATOM 0 HD23 LEU A 25 2.665 51.975 -2.196 1.00 34.05 H new ATOM 370 N ASN A 26 8.167 51.366 -2.042 1.00 73.20 N ATOM 371 CA ASN A 26 9.342 51.427 -1.174 1.00 60.40 C ATOM 372 C ASN A 26 9.840 52.870 -1.118 1.00 55.24 C ATOM 373 O ASN A 26 10.145 53.461 -2.155 1.00 70.31 O ATOM 374 CB ASN A 26 10.454 50.504 -1.702 1.00 52.12 C ATOM 375 CG ASN A 26 11.640 50.365 -0.754 1.00 31.52 C ATOM 376 OD1 ASN A 26 11.975 51.275 0.003 1.00 61.41 O ATOM 377 ND2 ASN A 26 12.291 49.212 -0.792 1.00 0.40 N ATOM 0 H ASN A 26 7.965 52.244 -2.520 1.00 73.20 H new ATOM 0 HA ASN A 26 9.070 51.090 -0.174 1.00 60.40 H new ATOM 0 HB2 ASN A 26 10.034 49.516 -1.891 1.00 52.12 H new ATOM 0 HB3 ASN A 26 10.808 50.888 -2.659 1.00 52.12 H new ATOM 0 HD21 ASN A 26 13.095 49.060 -0.182 1.00 0.40 H new ATOM 0 HD22 ASN A 26 11.989 48.476 -1.431 1.00 0.40 H new ATOM 384 N SER A 27 9.890 53.437 0.079 1.00 41.42 N ATOM 385 CA SER A 27 10.346 54.809 0.256 1.00 71.35 C ATOM 386 C SER A 27 11.840 54.905 -0.041 1.00 32.44 C ATOM 387 O SER A 27 12.661 54.288 0.648 1.00 10.41 O ATOM 388 CB SER A 27 10.053 55.286 1.684 1.00 30.22 C ATOM 389 OG SER A 27 10.329 56.669 1.837 1.00 62.34 O ATOM 0 H SER A 27 9.620 52.968 0.943 1.00 41.42 H new ATOM 0 HA SER A 27 9.808 55.452 -0.440 1.00 71.35 H new ATOM 0 HB2 SER A 27 9.008 55.094 1.926 1.00 30.22 H new ATOM 0 HB3 SER A 27 10.654 54.714 2.390 1.00 30.22 H new ATOM 0 HG SER A 27 10.131 56.942 2.757 1.00 62.34 H new ATOM 395 N ALA A 28 12.192 55.668 -1.069 1.00 11.40 N ATOM 396 CA ALA A 28 13.581 55.783 -1.487 1.00 74.12 C ATOM 397 C ALA A 28 13.901 57.191 -1.973 1.00 32.20 C ATOM 398 O ALA A 28 13.359 57.651 -2.980 1.00 40.33 O ATOM 399 CB ALA A 28 13.884 54.768 -2.579 1.00 11.11 C ATOM 0 H ALA A 28 11.535 56.214 -1.626 1.00 11.40 H new ATOM 0 HA ALA A 28 14.211 55.577 -0.621 1.00 74.12 H new ATOM 0 HB1 ALA A 28 14.926 54.863 -2.885 1.00 11.11 H new ATOM 0 HB2 ALA A 28 13.707 53.762 -2.200 1.00 11.11 H new ATOM 0 HB3 ALA A 28 13.236 54.952 -3.436 1.00 11.11 H new ATOM 405 N GLN A 29 14.774 57.868 -1.246 1.00 51.32 N ATOM 406 CA GLN A 29 15.239 59.189 -1.636 1.00 50.44 C ATOM 407 C GLN A 29 16.637 59.078 -2.251 1.00 51.32 C ATOM 408 O GLN A 29 17.644 59.351 -1.595 1.00 65.31 O ATOM 409 CB GLN A 29 15.260 60.127 -0.420 1.00 25.01 C ATOM 410 CG GLN A 29 15.623 61.571 -0.742 1.00 22.41 C ATOM 411 CD GLN A 29 14.537 62.302 -1.504 1.00 13.34 C ATOM 412 OE1 GLN A 29 13.643 62.906 -0.912 1.00 43.24 O ATOM 413 NE2 GLN A 29 14.612 62.268 -2.823 1.00 45.43 N ATOM 0 H GLN A 29 15.178 57.521 -0.376 1.00 51.32 H new ATOM 0 HA GLN A 29 14.556 59.606 -2.377 1.00 50.44 H new ATOM 0 HB2 GLN A 29 14.278 60.109 0.053 1.00 25.01 H new ATOM 0 HB3 GLN A 29 15.972 59.740 0.309 1.00 25.01 H new ATOM 0 HG2 GLN A 29 15.828 62.103 0.187 1.00 22.41 H new ATOM 0 HG3 GLN A 29 16.542 61.586 -1.328 1.00 22.41 H new ATOM 0 HE21 GLN A 29 15.368 61.756 -3.278 1.00 45.43 H new ATOM 0 HE22 GLN A 29 13.914 62.753 -3.386 1.00 45.43 H new ATOM 422 N ALA A 30 16.694 58.638 -3.501 1.00 32.35 N ATOM 423 CA ALA A 30 17.964 58.429 -4.179 1.00 75.25 C ATOM 424 C ALA A 30 17.839 58.716 -5.670 1.00 2.24 C ATOM 425 O ALA A 30 17.074 58.050 -6.373 1.00 44.53 O ATOM 426 CB ALA A 30 18.452 57.009 -3.946 1.00 53.52 C ATOM 0 H ALA A 30 15.873 58.419 -4.066 1.00 32.35 H new ATOM 0 HA ALA A 30 18.695 59.124 -3.765 1.00 75.25 H new ATOM 0 HB1 ALA A 30 19.403 56.863 -4.458 1.00 53.52 H new ATOM 0 HB2 ALA A 30 18.585 56.841 -2.877 1.00 53.52 H new ATOM 0 HB3 ALA A 30 17.718 56.304 -4.336 1.00 53.52 H new ATOM 432 N GLN A 31 18.589 59.727 -6.128 1.00 62.43 N ATOM 433 CA GLN A 31 18.611 60.172 -7.536 1.00 45.15 C ATOM 434 C GLN A 31 17.209 60.245 -8.141 1.00 11.34 C ATOM 435 O GLN A 31 16.995 59.924 -9.313 1.00 33.30 O ATOM 436 CB GLN A 31 19.562 59.335 -8.421 1.00 15.14 C ATOM 437 CG GLN A 31 19.334 57.827 -8.438 1.00 52.33 C ATOM 438 CD GLN A 31 20.046 57.103 -7.309 1.00 4.22 C ATOM 439 OE1 GLN A 31 21.154 57.664 -6.842 1.00 75.53 O flip ATOM 440 NE2 GLN A 31 19.607 56.041 -6.863 1.00 5.45 N flip ATOM 0 H GLN A 31 19.208 60.269 -5.526 1.00 62.43 H new ATOM 0 HA GLN A 31 19.014 61.185 -7.517 1.00 45.15 H new ATOM 0 HB2 GLN A 31 19.485 59.702 -9.444 1.00 15.14 H new ATOM 0 HB3 GLN A 31 20.584 59.521 -8.092 1.00 15.14 H new ATOM 0 HG2 GLN A 31 18.265 57.627 -8.372 1.00 52.33 H new ATOM 0 HG3 GLN A 31 19.676 57.425 -9.392 1.00 52.33 H new ATOM 0 HE21 GLN A 31 18.752 55.641 -7.248 1.00 5.45 H new ATOM 0 HE22 GLN A 31 20.099 55.562 -6.109 1.00 5.45 H new ATOM 449 N ASN A 32 16.268 60.701 -7.331 1.00 32.35 N ATOM 450 CA ASN A 32 14.888 60.871 -7.755 1.00 60.00 C ATOM 451 C ASN A 32 14.472 62.326 -7.576 1.00 24.31 C ATOM 452 O ASN A 32 15.282 63.150 -7.139 1.00 12.35 O ATOM 453 CB ASN A 32 13.952 59.954 -6.954 1.00 55.23 C ATOM 454 CG ASN A 32 14.004 60.211 -5.458 1.00 52.21 C ATOM 455 OD1 ASN A 32 15.052 60.542 -4.906 1.00 64.01 O ATOM 456 ND2 ASN A 32 12.870 60.073 -4.793 1.00 12.22 N ATOM 0 H ASN A 32 16.439 60.964 -6.360 1.00 32.35 H new ATOM 0 HA ASN A 32 14.812 60.599 -8.808 1.00 60.00 H new ATOM 0 HB2 ASN A 32 12.929 60.092 -7.305 1.00 55.23 H new ATOM 0 HB3 ASN A 32 14.218 58.915 -7.148 1.00 55.23 H new ATOM 0 HD21 ASN A 32 12.845 60.243 -3.788 1.00 12.22 H new ATOM 0 HD22 ASN A 32 12.020 59.797 -5.285 1.00 12.22 H new ATOM 463 N SER A 33 13.222 62.637 -7.936 1.00 43.41 N ATOM 464 CA SER A 33 12.665 63.992 -7.829 1.00 24.32 C ATOM 465 C SER A 33 13.271 64.935 -8.872 1.00 0.13 C ATOM 466 O SER A 33 12.548 65.653 -9.560 1.00 23.01 O ATOM 467 CB SER A 33 12.853 64.556 -6.416 1.00 74.21 C ATOM 468 OG SER A 33 12.283 63.690 -5.449 1.00 5.52 O ATOM 0 H SER A 33 12.565 61.954 -8.312 1.00 43.41 H new ATOM 0 HA SER A 33 11.596 63.919 -8.029 1.00 24.32 H new ATOM 0 HB2 SER A 33 13.915 64.689 -6.211 1.00 74.21 H new ATOM 0 HB3 SER A 33 12.390 65.540 -6.348 1.00 74.21 H new ATOM 0 HG SER A 33 12.415 64.067 -4.554 1.00 5.52 H new ATOM 474 N TYR A 34 14.589 64.930 -8.995 1.00 44.31 N ATOM 475 CA TYR A 34 15.262 65.761 -9.977 1.00 61.24 C ATOM 476 C TYR A 34 16.222 64.953 -10.833 1.00 73.24 C ATOM 477 O TYR A 34 17.287 64.529 -10.381 1.00 62.43 O ATOM 478 CB TYR A 34 15.994 66.919 -9.299 1.00 13.13 C ATOM 479 CG TYR A 34 15.111 68.124 -9.089 1.00 74.24 C ATOM 480 CD1 TYR A 34 14.878 69.015 -10.129 1.00 25.42 C ATOM 481 CD2 TYR A 34 14.496 68.366 -7.866 1.00 64.13 C ATOM 482 CE1 TYR A 34 14.061 70.112 -9.959 1.00 53.30 C ATOM 483 CE2 TYR A 34 13.678 69.465 -7.688 1.00 70.13 C ATOM 484 CZ TYR A 34 13.463 70.332 -8.739 1.00 21.34 C ATOM 485 OH TYR A 34 12.641 71.419 -8.574 1.00 74.43 O ATOM 0 H TYR A 34 15.213 64.359 -8.426 1.00 44.31 H new ATOM 0 HA TYR A 34 14.496 66.171 -10.635 1.00 61.24 H new ATOM 0 HB2 TYR A 34 16.380 66.585 -8.336 1.00 13.13 H new ATOM 0 HB3 TYR A 34 16.853 67.205 -9.906 1.00 13.13 H new ATOM 0 HD1 TYR A 34 15.345 68.845 -11.088 1.00 25.42 H new ATOM 0 HD2 TYR A 34 14.660 67.685 -7.044 1.00 64.13 H new ATOM 0 HE1 TYR A 34 13.891 70.795 -10.778 1.00 53.30 H new ATOM 0 HE2 TYR A 34 13.210 69.644 -6.732 1.00 70.13 H new ATOM 0 HH TYR A 34 12.296 71.432 -7.657 1.00 74.43 H new ATOM 495 N LYS A 35 15.815 64.728 -12.068 1.00 52.32 N ATOM 496 CA LYS A 35 16.649 64.068 -13.055 1.00 32.34 C ATOM 497 C LYS A 35 16.805 65.007 -14.248 1.00 3.52 C ATOM 498 O LYS A 35 16.210 66.085 -14.259 1.00 34.43 O ATOM 499 CB LYS A 35 16.008 62.736 -13.462 1.00 4.45 C ATOM 500 CG LYS A 35 16.965 61.752 -14.115 1.00 64.01 C ATOM 501 CD LYS A 35 16.334 60.377 -14.245 1.00 53.33 C ATOM 502 CE LYS A 35 15.985 59.797 -12.883 1.00 71.43 C ATOM 503 NZ LYS A 35 17.198 59.472 -12.085 1.00 25.44 N1+ ATOM 0 H LYS A 35 14.895 64.998 -12.416 1.00 52.32 H new ATOM 0 HA LYS A 35 17.636 63.845 -12.649 1.00 32.34 H new ATOM 0 HB2 LYS A 35 15.575 62.270 -12.577 1.00 4.45 H new ATOM 0 HB3 LYS A 35 15.187 62.937 -14.150 1.00 4.45 H new ATOM 0 HG2 LYS A 35 17.251 62.119 -15.101 1.00 64.01 H new ATOM 0 HG3 LYS A 35 17.878 61.682 -13.524 1.00 64.01 H new ATOM 0 HD2 LYS A 35 15.433 60.444 -14.855 1.00 53.33 H new ATOM 0 HD3 LYS A 35 17.021 59.707 -14.763 1.00 53.33 H new ATOM 0 HE2 LYS A 35 15.370 60.509 -12.333 1.00 71.43 H new ATOM 0 HE3 LYS A 35 15.387 58.896 -13.016 1.00 71.43 H new ATOM 0 HZ1 LYS A 35 17.101 59.870 -11.129 1.00 25.44 H new ATOM 0 HZ2 LYS A 35 17.305 58.440 -12.021 1.00 25.44 H new ATOM 0 HZ3 LYS A 35 18.036 59.879 -12.546 1.00 25.44 H new ATOM 517 N ASP A 36 17.596 64.619 -15.237 1.00 74.53 N ATOM 518 CA ASP A 36 17.846 65.482 -16.385 1.00 12.22 C ATOM 519 C ASP A 36 16.572 65.687 -17.208 1.00 2.12 C ATOM 520 O ASP A 36 15.742 64.782 -17.314 1.00 1.02 O ATOM 521 CB ASP A 36 18.977 64.916 -17.257 1.00 13.10 C ATOM 522 CG ASP A 36 18.682 63.535 -17.805 1.00 53.20 C ATOM 523 OD1 ASP A 36 18.863 62.545 -17.065 1.00 0.23 O ATOM 524 OD2 ASP A 36 18.303 63.428 -18.992 1.00 61.43 O1- ATOM 0 H ASP A 36 18.074 63.718 -15.270 1.00 74.53 H new ATOM 0 HA ASP A 36 18.161 66.456 -16.010 1.00 12.22 H new ATOM 0 HB2 ASP A 36 19.160 65.597 -18.088 1.00 13.10 H new ATOM 0 HB3 ASP A 36 19.894 64.877 -16.669 1.00 13.10 H new ATOM 529 N PRO A 37 16.405 66.904 -17.769 1.00 13.20 N ATOM 530 CA PRO A 37 15.211 67.301 -18.543 1.00 63.51 C ATOM 531 C PRO A 37 14.796 66.298 -19.620 1.00 54.33 C ATOM 532 O PRO A 37 15.634 65.630 -20.226 1.00 45.11 O ATOM 533 CB PRO A 37 15.652 68.608 -19.198 1.00 21.24 C ATOM 534 CG PRO A 37 16.635 69.185 -18.246 1.00 41.34 C ATOM 535 CD PRO A 37 17.376 68.014 -17.666 1.00 70.22 C ATOM 0 HA PRO A 37 14.336 67.374 -17.897 1.00 63.51 H new ATOM 0 HB2 PRO A 37 16.102 68.431 -20.175 1.00 21.24 H new ATOM 0 HB3 PRO A 37 14.808 69.280 -19.353 1.00 21.24 H new ATOM 0 HG2 PRO A 37 17.317 69.867 -18.753 1.00 41.34 H new ATOM 0 HG3 PRO A 37 16.134 69.757 -17.465 1.00 41.34 H new ATOM 0 HD2 PRO A 37 18.289 67.801 -18.223 1.00 70.22 H new ATOM 0 HD3 PRO A 37 17.668 68.197 -16.632 1.00 70.22 H new ATOM 543 N SER A 38 13.491 66.229 -19.871 1.00 14.04 N ATOM 544 CA SER A 38 12.939 65.307 -20.854 1.00 55.00 C ATOM 545 C SER A 38 11.908 65.994 -21.759 1.00 15.51 C ATOM 546 O SER A 38 11.664 65.544 -22.878 1.00 61.15 O ATOM 547 CB SER A 38 12.289 64.113 -20.147 1.00 62.11 C ATOM 548 OG SER A 38 13.219 63.453 -19.300 1.00 2.22 O ATOM 0 H SER A 38 12.793 66.806 -19.402 1.00 14.04 H new ATOM 0 HA SER A 38 13.761 64.961 -21.481 1.00 55.00 H new ATOM 0 HB2 SER A 38 11.436 64.454 -19.560 1.00 62.11 H new ATOM 0 HB3 SER A 38 11.906 63.412 -20.888 1.00 62.11 H new ATOM 0 HG SER A 38 12.780 62.696 -18.859 1.00 2.22 H new ATOM 554 N TYR A 39 11.308 67.088 -21.288 1.00 43.44 N ATOM 555 CA TYR A 39 10.245 67.756 -22.041 1.00 20.45 C ATOM 556 C TYR A 39 10.688 69.131 -22.529 1.00 62.10 C ATOM 557 O TYR A 39 10.018 70.132 -22.275 1.00 24.30 O ATOM 558 CB TYR A 39 8.984 67.885 -21.180 1.00 32.34 C ATOM 559 CG TYR A 39 8.454 66.557 -20.702 1.00 55.01 C ATOM 560 CD1 TYR A 39 8.510 66.207 -19.362 1.00 1.41 C ATOM 561 CD2 TYR A 39 7.908 65.650 -21.598 1.00 62.40 C ATOM 562 CE1 TYR A 39 8.040 64.987 -18.925 1.00 74.42 C ATOM 563 CE2 TYR A 39 7.433 64.427 -21.169 1.00 23.44 C ATOM 564 CZ TYR A 39 7.500 64.101 -19.831 1.00 40.22 C ATOM 565 OH TYR A 39 7.031 62.882 -19.396 1.00 3.35 O ATOM 0 H TYR A 39 11.537 67.528 -20.397 1.00 43.44 H new ATOM 0 HA TYR A 39 10.021 67.144 -22.915 1.00 20.45 H new ATOM 0 HB2 TYR A 39 9.204 68.513 -20.317 1.00 32.34 H new ATOM 0 HB3 TYR A 39 8.209 68.393 -21.755 1.00 32.34 H new ATOM 0 HD1 TYR A 39 8.929 66.901 -18.649 1.00 1.41 H new ATOM 0 HD2 TYR A 39 7.854 65.904 -22.646 1.00 62.40 H new ATOM 0 HE1 TYR A 39 8.095 64.727 -17.878 1.00 74.42 H new ATOM 0 HE2 TYR A 39 7.011 63.729 -21.877 1.00 23.44 H new ATOM 0 HH TYR A 39 6.681 62.375 -20.158 1.00 3.35 H new ATOM 575 N ASN A 40 11.805 69.155 -23.255 1.00 65.22 N ATOM 576 CA ASN A 40 12.372 70.394 -23.797 1.00 3.22 C ATOM 577 C ASN A 40 12.590 71.431 -22.699 1.00 70.45 C ATOM 578 O ASN A 40 11.772 72.340 -22.524 1.00 15.21 O ATOM 579 CB ASN A 40 11.483 70.987 -24.902 1.00 75.20 C ATOM 580 CG ASN A 40 11.268 70.048 -26.076 1.00 64.02 C ATOM 581 OD1 ASN A 40 12.094 69.971 -26.987 1.00 40.50 O ATOM 582 ND2 ASN A 40 10.141 69.350 -26.081 1.00 70.04 N ATOM 0 H ASN A 40 12.343 68.319 -23.485 1.00 65.22 H new ATOM 0 HA ASN A 40 13.337 70.135 -24.232 1.00 3.22 H new ATOM 0 HB2 ASN A 40 10.515 71.251 -24.476 1.00 75.20 H new ATOM 0 HB3 ASN A 40 11.934 71.911 -25.264 1.00 75.20 H new ATOM 0 HD21 ASN A 40 9.933 68.722 -26.858 1.00 70.04 H new ATOM 0 HD22 ASN A 40 9.482 69.441 -25.308 1.00 70.04 H new ATOM 589 N ASP A 41 13.689 71.268 -21.962 1.00 1.43 N ATOM 590 CA ASP A 41 14.066 72.176 -20.872 1.00 42.41 C ATOM 591 C ASP A 41 13.120 72.009 -19.682 1.00 73.04 C ATOM 592 O ASP A 41 11.992 72.503 -19.687 1.00 20.40 O ATOM 593 CB ASP A 41 14.079 73.635 -21.347 1.00 75.34 C ATOM 594 CG ASP A 41 14.890 74.532 -20.440 1.00 44.10 C ATOM 595 OD1 ASP A 41 14.480 74.755 -19.284 1.00 61.14 O ATOM 596 OD2 ASP A 41 15.950 75.020 -20.882 1.00 31.02 O1- ATOM 0 H ASP A 41 14.347 70.501 -22.103 1.00 1.43 H new ATOM 0 HA ASP A 41 15.075 71.916 -20.553 1.00 42.41 H new ATOM 0 HB2 ASP A 41 14.486 73.681 -22.357 1.00 75.34 H new ATOM 0 HB3 ASP A 41 13.055 74.006 -21.399 1.00 75.34 H new ATOM 601 N ASP A 42 13.591 71.309 -18.659 1.00 64.11 N ATOM 602 CA ASP A 42 12.747 70.932 -17.522 1.00 22.32 C ATOM 603 C ASP A 42 13.061 71.745 -16.278 1.00 12.21 C ATOM 604 O ASP A 42 12.614 71.390 -15.186 1.00 2.23 O ATOM 605 CB ASP A 42 12.928 69.449 -17.189 1.00 70.12 C ATOM 606 CG ASP A 42 11.832 68.571 -17.748 1.00 70.01 C ATOM 607 OD1 ASP A 42 10.866 68.287 -17.008 1.00 24.15 O ATOM 608 OD2 ASP A 42 11.947 68.138 -18.913 1.00 23.10 O1- ATOM 0 H ASP A 42 14.556 70.987 -18.589 1.00 64.11 H new ATOM 0 HA ASP A 42 11.718 71.133 -17.820 1.00 22.32 H new ATOM 0 HB2 ASP A 42 13.888 69.111 -17.579 1.00 70.12 H new ATOM 0 HB3 ASP A 42 12.963 69.329 -16.106 1.00 70.12 H new ATOM 613 N PHE A 43 13.814 72.834 -16.443 1.00 34.33 N ATOM 614 CA PHE A 43 14.270 73.659 -15.313 1.00 42.52 C ATOM 615 C PHE A 43 15.129 72.850 -14.312 1.00 55.15 C ATOM 616 O PHE A 43 15.642 73.394 -13.336 1.00 42.21 O ATOM 617 CB PHE A 43 13.039 74.279 -14.616 1.00 45.40 C ATOM 618 CG PHE A 43 13.334 75.075 -13.372 1.00 60.21 C ATOM 619 CD1 PHE A 43 13.935 76.320 -13.450 1.00 61.42 C ATOM 620 CD2 PHE A 43 13.000 74.574 -12.122 1.00 74.23 C ATOM 621 CE1 PHE A 43 14.199 77.050 -12.308 1.00 3.13 C ATOM 622 CE2 PHE A 43 13.262 75.300 -10.975 1.00 34.35 C ATOM 623 CZ PHE A 43 13.865 76.540 -11.069 1.00 75.22 C ATOM 0 H PHE A 43 14.125 73.170 -17.354 1.00 34.33 H new ATOM 0 HA PHE A 43 14.912 74.452 -15.697 1.00 42.52 H new ATOM 0 HB2 PHE A 43 12.527 74.926 -15.328 1.00 45.40 H new ATOM 0 HB3 PHE A 43 12.346 73.478 -14.358 1.00 45.40 H new ATOM 0 HD1 PHE A 43 14.200 76.725 -14.415 1.00 61.42 H new ATOM 0 HD2 PHE A 43 12.530 73.605 -12.044 1.00 74.23 H new ATOM 0 HE1 PHE A 43 14.667 78.020 -12.384 1.00 3.13 H new ATOM 0 HE2 PHE A 43 12.996 74.899 -10.008 1.00 34.35 H new ATOM 0 HZ PHE A 43 14.075 77.109 -10.175 1.00 75.22 H new ATOM 633 N GLY A 44 15.344 71.570 -14.598 1.00 3.11 N ATOM 634 CA GLY A 44 16.086 70.713 -13.690 1.00 42.15 C ATOM 635 C GLY A 44 17.570 70.674 -13.995 1.00 3.45 C ATOM 636 O GLY A 44 18.219 69.642 -13.840 1.00 74.52 O ATOM 0 H GLY A 44 15.016 71.109 -15.447 1.00 3.11 H new ATOM 0 HA2 GLY A 44 15.939 71.062 -12.668 1.00 42.15 H new ATOM 0 HA3 GLY A 44 15.683 69.702 -13.742 1.00 42.15 H new ATOM 640 N ILE A 45 18.104 71.796 -14.449 1.00 51.24 N ATOM 641 CA ILE A 45 19.529 71.907 -14.707 1.00 71.42 C ATOM 642 C ILE A 45 20.235 72.538 -13.513 1.00 20.41 C ATOM 643 O ILE A 45 21.117 71.920 -12.911 1.00 25.51 O ATOM 644 CB ILE A 45 19.820 72.739 -15.979 1.00 34.42 C ATOM 645 CG1 ILE A 45 19.233 72.052 -17.216 1.00 11.31 C ATOM 646 CG2 ILE A 45 21.320 72.954 -16.156 1.00 54.24 C ATOM 647 CD1 ILE A 45 19.863 70.708 -17.525 1.00 75.24 C ATOM 0 H ILE A 45 17.571 72.643 -14.646 1.00 51.24 H new ATOM 0 HA ILE A 45 19.909 70.898 -14.867 1.00 71.42 H new ATOM 0 HB ILE A 45 19.345 73.713 -15.862 1.00 34.42 H new ATOM 0 HG12 ILE A 45 18.161 71.916 -17.071 1.00 11.31 H new ATOM 0 HG13 ILE A 45 19.357 72.708 -18.078 1.00 11.31 H new ATOM 0 HG21 ILE A 45 21.500 73.541 -17.057 1.00 54.24 H new ATOM 0 HG22 ILE A 45 21.716 73.486 -15.291 1.00 54.24 H new ATOM 0 HG23 ILE A 45 21.818 71.989 -16.247 1.00 54.24 H new ATOM 0 HD11 ILE A 45 19.396 70.283 -18.413 1.00 75.24 H new ATOM 0 HD12 ILE A 45 20.930 70.839 -17.703 1.00 75.24 H new ATOM 0 HD13 ILE A 45 19.716 70.035 -16.681 1.00 75.24 H new ATOM 659 N GLU A 46 19.828 73.771 -13.186 1.00 65.21 N ATOM 660 CA GLU A 46 20.374 74.542 -12.061 1.00 41.54 C ATOM 661 C GLU A 46 21.825 74.976 -12.289 1.00 5.12 C ATOM 662 O GLU A 46 22.158 76.153 -12.138 1.00 43.23 O ATOM 663 CB GLU A 46 20.265 73.768 -10.745 1.00 55.55 C ATOM 664 CG GLU A 46 18.848 73.652 -10.215 1.00 14.53 C ATOM 665 CD GLU A 46 18.802 73.032 -8.836 1.00 0.14 C ATOM 666 OE1 GLU A 46 19.351 73.639 -7.889 1.00 65.32 O ATOM 667 OE2 GLU A 46 18.216 71.941 -8.686 1.00 5.55 O1- ATOM 0 H GLU A 46 19.101 74.268 -13.701 1.00 65.21 H new ATOM 0 HA GLU A 46 19.765 75.444 -11.995 1.00 41.54 H new ATOM 0 HB2 GLU A 46 20.672 72.767 -10.889 1.00 55.55 H new ATOM 0 HB3 GLU A 46 20.884 74.259 -9.994 1.00 55.55 H new ATOM 0 HG2 GLU A 46 18.392 74.642 -10.182 1.00 14.53 H new ATOM 0 HG3 GLU A 46 18.253 73.050 -10.902 1.00 14.53 H new ATOM 674 N THR A 47 22.680 74.028 -12.630 1.00 53.34 N ATOM 675 CA THR A 47 24.096 74.295 -12.822 1.00 11.21 C ATOM 676 C THR A 47 24.624 73.586 -14.077 1.00 2.33 C ATOM 677 O THR A 47 25.056 72.432 -14.031 1.00 31.14 O ATOM 678 CB THR A 47 24.927 73.903 -11.569 1.00 14.13 C ATOM 679 OG1 THR A 47 26.329 74.073 -11.826 1.00 60.32 O ATOM 680 CG2 THR A 47 24.645 72.472 -11.125 1.00 31.14 C ATOM 0 H THR A 47 22.415 73.055 -12.781 1.00 53.34 H new ATOM 0 HA THR A 47 24.210 75.369 -12.967 1.00 11.21 H new ATOM 0 HB THR A 47 24.627 74.566 -10.758 1.00 14.13 H new ATOM 0 HG1 THR A 47 26.840 73.824 -11.028 1.00 60.32 H new ATOM 0 HG21 THR A 47 25.246 72.239 -10.246 1.00 31.14 H new ATOM 0 HG22 THR A 47 23.588 72.369 -10.879 1.00 31.14 H new ATOM 0 HG23 THR A 47 24.899 71.784 -11.932 1.00 31.14 H new ATOM 688 N PRO A 48 24.532 74.248 -15.242 1.00 63.35 N ATOM 689 CA PRO A 48 25.017 73.689 -16.499 1.00 21.13 C ATOM 690 C PRO A 48 26.538 73.667 -16.540 1.00 23.22 C ATOM 691 O PRO A 48 27.175 74.595 -17.043 1.00 30.10 O ATOM 692 CB PRO A 48 24.453 74.623 -17.585 1.00 72.10 C ATOM 693 CG PRO A 48 23.557 75.590 -16.873 1.00 2.42 C ATOM 694 CD PRO A 48 23.976 75.591 -15.426 1.00 3.12 C ATOM 0 HA PRO A 48 24.698 72.656 -16.636 1.00 21.13 H new ATOM 0 HB2 PRO A 48 25.256 75.145 -18.106 1.00 72.10 H new ATOM 0 HB3 PRO A 48 23.900 74.059 -18.336 1.00 72.10 H new ATOM 0 HG2 PRO A 48 23.648 76.588 -17.302 1.00 2.42 H new ATOM 0 HG3 PRO A 48 22.513 75.294 -16.972 1.00 2.42 H new ATOM 0 HD2 PRO A 48 24.715 76.365 -15.221 1.00 3.12 H new ATOM 0 HD3 PRO A 48 23.131 75.772 -14.761 1.00 3.12 H new ATOM 702 N SER A 49 27.111 72.622 -15.968 1.00 1.52 N ATOM 703 CA SER A 49 28.554 72.468 -15.918 1.00 71.45 C ATOM 704 C SER A 49 28.973 71.106 -16.467 1.00 5.40 C ATOM 705 O SER A 49 29.494 71.008 -17.580 1.00 55.33 O ATOM 706 CB SER A 49 29.037 72.641 -14.475 1.00 4.01 C ATOM 707 OG SER A 49 28.242 71.871 -13.584 1.00 52.25 O ATOM 0 H SER A 49 26.593 71.861 -15.528 1.00 1.52 H new ATOM 0 HA SER A 49 29.014 73.234 -16.542 1.00 71.45 H new ATOM 0 HB2 SER A 49 30.080 72.335 -14.396 1.00 4.01 H new ATOM 0 HB3 SER A 49 28.991 73.693 -14.194 1.00 4.01 H new ATOM 0 HG SER A 49 28.781 71.142 -13.212 1.00 52.25 H new ATOM 713 N ALA A 50 28.708 70.058 -15.696 1.00 4.34 N ATOM 714 CA ALA A 50 29.101 68.702 -16.070 1.00 71.23 C ATOM 715 C ALA A 50 28.324 68.198 -17.277 1.00 52.43 C ATOM 716 O ALA A 50 28.699 67.205 -17.899 1.00 63.35 O ATOM 717 CB ALA A 50 28.909 67.759 -14.894 1.00 52.42 C ATOM 0 H ALA A 50 28.220 70.121 -14.803 1.00 4.34 H new ATOM 0 HA ALA A 50 30.155 68.729 -16.345 1.00 71.23 H new ATOM 0 HB1 ALA A 50 29.205 66.751 -15.184 1.00 52.42 H new ATOM 0 HB2 ALA A 50 29.524 68.091 -14.057 1.00 52.42 H new ATOM 0 HB3 ALA A 50 27.861 67.758 -14.596 1.00 52.42 H new ATOM 723 N LEU A 51 27.243 68.884 -17.611 1.00 14.24 N ATOM 724 CA LEU A 51 26.419 68.496 -18.747 1.00 65.24 C ATOM 725 C LEU A 51 26.437 69.565 -19.838 1.00 54.11 C ATOM 726 O LEU A 51 25.797 69.407 -20.876 1.00 73.42 O ATOM 727 CB LEU A 51 24.982 68.206 -18.282 1.00 34.13 C ATOM 728 CG LEU A 51 24.343 69.258 -17.361 1.00 14.14 C ATOM 729 CD1 LEU A 51 23.906 70.491 -18.142 1.00 42.24 C ATOM 730 CD2 LEU A 51 23.163 68.657 -16.615 1.00 32.32 C ATOM 0 H LEU A 51 26.915 69.712 -17.113 1.00 14.24 H new ATOM 0 HA LEU A 51 26.836 67.586 -19.178 1.00 65.24 H new ATOM 0 HB2 LEU A 51 24.352 68.095 -19.164 1.00 34.13 H new ATOM 0 HB3 LEU A 51 24.976 67.247 -17.763 1.00 34.13 H new ATOM 0 HG LEU A 51 25.096 69.573 -16.639 1.00 14.14 H new ATOM 0 HD11 LEU A 51 23.459 71.214 -17.460 1.00 42.24 H new ATOM 0 HD12 LEU A 51 24.772 70.939 -18.629 1.00 42.24 H new ATOM 0 HD13 LEU A 51 23.174 70.203 -18.897 1.00 42.24 H new ATOM 0 HD21 LEU A 51 22.720 69.412 -15.966 1.00 32.32 H new ATOM 0 HD22 LEU A 51 22.418 68.311 -17.331 1.00 32.32 H new ATOM 0 HD23 LEU A 51 23.504 67.816 -16.012 1.00 32.32 H new ATOM 742 N ASP A 52 27.201 70.631 -19.611 1.00 2.23 N ATOM 743 CA ASP A 52 27.211 71.783 -20.517 1.00 12.25 C ATOM 744 C ASP A 52 27.834 71.427 -21.863 1.00 34.31 C ATOM 745 O ASP A 52 27.383 71.894 -22.906 1.00 33.15 O ATOM 746 CB ASP A 52 27.964 72.960 -19.883 1.00 5.20 C ATOM 747 CG ASP A 52 28.016 74.183 -20.785 1.00 62.52 C ATOM 748 OD1 ASP A 52 26.950 74.636 -21.249 1.00 12.41 O ATOM 749 OD2 ASP A 52 29.126 74.713 -21.014 1.00 63.02 O1- ATOM 0 H ASP A 52 27.823 70.723 -18.808 1.00 2.23 H new ATOM 0 HA ASP A 52 26.175 72.076 -20.690 1.00 12.25 H new ATOM 0 HB2 ASP A 52 27.483 73.228 -18.943 1.00 5.20 H new ATOM 0 HB3 ASP A 52 28.980 72.648 -19.643 1.00 5.20 H new ATOM 754 N ASN A 53 28.859 70.590 -21.842 1.00 61.25 N ATOM 755 CA ASN A 53 29.539 70.190 -23.068 1.00 42.12 C ATOM 756 C ASN A 53 28.820 69.023 -23.733 1.00 63.01 C ATOM 757 O ASN A 53 28.705 68.969 -24.959 1.00 23.25 O ATOM 758 CB ASN A 53 30.996 69.813 -22.784 1.00 44.53 C ATOM 759 CG ASN A 53 31.875 71.021 -22.524 1.00 73.01 C ATOM 760 OD1 ASN A 53 32.012 71.480 -21.389 1.00 72.42 O ATOM 761 ND2 ASN A 53 32.488 71.539 -23.577 1.00 31.23 N ATOM 0 H ASN A 53 29.239 70.174 -20.992 1.00 61.25 H new ATOM 0 HA ASN A 53 29.524 71.041 -23.749 1.00 42.12 H new ATOM 0 HB2 ASN A 53 31.033 69.150 -21.920 1.00 44.53 H new ATOM 0 HB3 ASN A 53 31.394 69.255 -23.632 1.00 44.53 H new ATOM 0 HD21 ASN A 53 33.100 72.347 -23.464 1.00 31.23 H new ATOM 0 HD22 ASN A 53 32.349 71.130 -24.501 1.00 31.23 H new ATOM 768 N PHE A 54 28.324 68.105 -22.913 1.00 22.14 N ATOM 769 CA PHE A 54 27.651 66.910 -23.403 1.00 43.23 C ATOM 770 C PHE A 54 26.407 67.264 -24.216 1.00 0.30 C ATOM 771 O PHE A 54 26.307 66.916 -25.393 1.00 51.31 O ATOM 772 CB PHE A 54 27.282 65.998 -22.227 1.00 64.13 C ATOM 773 CG PHE A 54 26.634 64.709 -22.639 1.00 32.43 C ATOM 774 CD1 PHE A 54 27.333 63.778 -23.391 1.00 20.25 C ATOM 775 CD2 PHE A 54 25.329 64.426 -22.271 1.00 52.44 C ATOM 776 CE1 PHE A 54 26.741 62.589 -23.770 1.00 74.25 C ATOM 777 CE2 PHE A 54 24.732 63.239 -22.647 1.00 41.13 C ATOM 778 CZ PHE A 54 25.439 62.319 -23.398 1.00 1.54 C ATOM 0 H PHE A 54 28.376 68.167 -21.896 1.00 22.14 H new ATOM 0 HA PHE A 54 28.337 66.381 -24.064 1.00 43.23 H new ATOM 0 HB2 PHE A 54 28.183 65.774 -21.656 1.00 64.13 H new ATOM 0 HB3 PHE A 54 26.608 66.536 -21.560 1.00 64.13 H new ATOM 0 HD1 PHE A 54 28.352 63.984 -23.684 1.00 20.25 H new ATOM 0 HD2 PHE A 54 24.772 65.141 -21.684 1.00 52.44 H new ATOM 0 HE1 PHE A 54 27.296 61.872 -24.356 1.00 74.25 H new ATOM 0 HE2 PHE A 54 23.714 63.030 -22.355 1.00 41.13 H new ATOM 0 HZ PHE A 54 24.974 61.390 -23.693 1.00 1.54 H new ATOM 788 N THR A 55 25.474 67.983 -23.604 1.00 75.41 N ATOM 789 CA THR A 55 24.212 68.302 -24.261 1.00 62.12 C ATOM 790 C THR A 55 24.425 69.301 -25.399 1.00 21.25 C ATOM 791 O THR A 55 23.581 69.448 -26.286 1.00 1.24 O ATOM 792 CB THR A 55 23.177 68.858 -23.254 1.00 4.21 C ATOM 793 OG1 THR A 55 21.873 68.855 -23.842 1.00 21.43 O ATOM 794 CG2 THR A 55 23.533 70.276 -22.819 1.00 4.31 C ATOM 0 H THR A 55 25.566 68.355 -22.659 1.00 75.41 H new ATOM 0 HA THR A 55 23.820 67.375 -24.678 1.00 62.12 H new ATOM 0 HB THR A 55 23.188 68.214 -22.374 1.00 4.21 H new ATOM 0 HG1 THR A 55 21.947 69.039 -24.802 1.00 21.43 H new ATOM 0 HG21 THR A 55 22.787 70.638 -22.112 1.00 4.31 H new ATOM 0 HG22 THR A 55 24.514 70.275 -22.343 1.00 4.31 H new ATOM 0 HG23 THR A 55 23.554 70.930 -23.691 1.00 4.31 H new ATOM 802 N GLN A 56 25.577 69.957 -25.385 1.00 32.54 N ATOM 803 CA GLN A 56 25.901 70.960 -26.387 1.00 40.22 C ATOM 804 C GLN A 56 26.259 70.278 -27.701 1.00 42.31 C ATOM 805 O GLN A 56 26.035 70.817 -28.785 1.00 33.50 O ATOM 806 CB GLN A 56 27.066 71.818 -25.904 1.00 24.31 C ATOM 807 CG GLN A 56 26.938 73.293 -26.240 1.00 3.12 C ATOM 808 CD GLN A 56 25.660 73.908 -25.702 1.00 23.51 C ATOM 809 OE1 GLN A 56 24.651 73.983 -26.402 1.00 22.43 O ATOM 810 NE2 GLN A 56 25.686 74.322 -24.444 1.00 51.20 N ATOM 0 H GLN A 56 26.306 69.811 -24.686 1.00 32.54 H new ATOM 0 HA GLN A 56 25.035 71.602 -26.547 1.00 40.22 H new ATOM 0 HB2 GLN A 56 27.157 71.710 -24.823 1.00 24.31 H new ATOM 0 HB3 GLN A 56 27.989 71.437 -26.342 1.00 24.31 H new ATOM 0 HG2 GLN A 56 27.794 73.830 -25.832 1.00 3.12 H new ATOM 0 HG3 GLN A 56 26.969 73.419 -27.322 1.00 3.12 H new ATOM 0 HE21 GLN A 56 26.544 74.242 -23.898 1.00 51.20 H new ATOM 0 HE22 GLN A 56 24.848 74.721 -24.021 1.00 51.20 H new ATOM 819 N ALA A 57 26.808 69.079 -27.591 1.00 43.12 N ATOM 820 CA ALA A 57 27.140 68.283 -28.757 1.00 74.22 C ATOM 821 C ALA A 57 25.885 67.620 -29.307 1.00 13.44 C ATOM 822 O ALA A 57 25.713 67.491 -30.520 1.00 44.41 O ATOM 823 CB ALA A 57 28.185 67.241 -28.402 1.00 32.32 C ATOM 0 H ALA A 57 27.033 68.636 -26.700 1.00 43.12 H new ATOM 0 HA ALA A 57 27.555 68.935 -29.526 1.00 74.22 H new ATOM 0 HB1 ALA A 57 28.425 66.650 -29.286 1.00 32.32 H new ATOM 0 HB2 ALA A 57 29.086 67.737 -28.042 1.00 32.32 H new ATOM 0 HB3 ALA A 57 27.795 66.586 -27.623 1.00 32.32 H new ATOM 829 N ILE A 58 24.996 67.228 -28.399 1.00 52.41 N ATOM 830 CA ILE A 58 23.763 66.547 -28.775 1.00 43.42 C ATOM 831 C ILE A 58 22.888 67.440 -29.644 1.00 42.32 C ATOM 832 O ILE A 58 22.294 66.982 -30.614 1.00 2.22 O ATOM 833 CB ILE A 58 22.954 66.110 -27.538 1.00 4.31 C ATOM 834 CG1 ILE A 58 23.845 65.313 -26.585 1.00 33.32 C ATOM 835 CG2 ILE A 58 21.740 65.287 -27.958 1.00 22.11 C ATOM 836 CD1 ILE A 58 23.100 64.700 -25.421 1.00 75.03 C ATOM 0 H ILE A 58 25.108 67.371 -27.395 1.00 52.41 H new ATOM 0 HA ILE A 58 24.055 65.661 -29.339 1.00 43.42 H new ATOM 0 HB ILE A 58 22.597 66.999 -27.018 1.00 4.31 H new ATOM 0 HG12 ILE A 58 24.341 64.520 -27.144 1.00 33.32 H new ATOM 0 HG13 ILE A 58 24.626 65.968 -26.200 1.00 33.32 H new ATOM 0 HG21 ILE A 58 21.180 64.987 -27.072 1.00 22.11 H new ATOM 0 HG22 ILE A 58 21.100 65.887 -28.606 1.00 22.11 H new ATOM 0 HG23 ILE A 58 22.071 64.399 -28.496 1.00 22.11 H new ATOM 0 HD11 ILE A 58 23.799 64.151 -24.790 1.00 75.03 H new ATOM 0 HD12 ILE A 58 22.626 65.489 -24.836 1.00 75.03 H new ATOM 0 HD13 ILE A 58 22.337 64.018 -25.796 1.00 75.03 H new ATOM 848 N GLN A 59 22.829 68.721 -29.303 1.00 20.32 N ATOM 849 CA GLN A 59 22.045 69.681 -30.071 1.00 43.14 C ATOM 850 C GLN A 59 22.436 69.666 -31.548 1.00 30.01 C ATOM 851 O GLN A 59 21.593 69.849 -32.422 1.00 22.32 O ATOM 852 CB GLN A 59 22.218 71.089 -29.503 1.00 0.24 C ATOM 853 CG GLN A 59 21.529 71.300 -28.164 1.00 33.03 C ATOM 854 CD GLN A 59 21.822 72.667 -27.576 1.00 32.54 C ATOM 855 OE1 GLN A 59 22.071 73.627 -28.304 1.00 24.13 O ATOM 856 NE2 GLN A 59 21.780 72.770 -26.258 1.00 51.23 N ATOM 0 H GLN A 59 23.315 69.120 -28.500 1.00 20.32 H new ATOM 0 HA GLN A 59 20.998 69.389 -29.992 1.00 43.14 H new ATOM 0 HB2 GLN A 59 23.282 71.297 -29.390 1.00 0.24 H new ATOM 0 HB3 GLN A 59 21.827 71.811 -30.220 1.00 0.24 H new ATOM 0 HG2 GLN A 59 20.452 71.184 -28.289 1.00 33.03 H new ATOM 0 HG3 GLN A 59 21.854 70.529 -27.465 1.00 33.03 H new ATOM 0 HE21 GLN A 59 21.570 71.950 -25.689 1.00 51.23 H new ATOM 0 HE22 GLN A 59 21.958 73.669 -25.811 1.00 51.23 H new ATOM 865 N SER A 60 23.706 69.404 -31.821 1.00 51.04 N ATOM 866 CA SER A 60 24.209 69.433 -33.184 1.00 11.41 C ATOM 867 C SER A 60 23.900 68.131 -33.926 1.00 54.31 C ATOM 868 O SER A 60 23.941 68.090 -35.156 1.00 71.15 O ATOM 869 CB SER A 60 25.716 69.687 -33.170 1.00 73.34 C ATOM 870 OG SER A 60 26.218 69.893 -34.479 1.00 3.51 O ATOM 0 H SER A 60 24.405 69.169 -31.117 1.00 51.04 H new ATOM 0 HA SER A 60 23.706 70.242 -33.714 1.00 11.41 H new ATOM 0 HB2 SER A 60 25.934 70.559 -32.554 1.00 73.34 H new ATOM 0 HB3 SER A 60 26.225 68.839 -32.713 1.00 73.34 H new ATOM 0 HG SER A 60 25.661 69.408 -35.123 1.00 3.51 H new ATOM 876 N GLN A 61 23.594 67.068 -33.188 1.00 30.10 N ATOM 877 CA GLN A 61 23.316 65.777 -33.811 1.00 24.42 C ATOM 878 C GLN A 61 21.813 65.571 -33.977 1.00 14.32 C ATOM 879 O GLN A 61 21.374 64.736 -34.766 1.00 1.12 O ATOM 880 CB GLN A 61 23.930 64.627 -33.000 1.00 64.21 C ATOM 881 CG GLN A 61 23.255 64.359 -31.664 1.00 32.32 C ATOM 882 CD GLN A 61 23.923 63.243 -30.876 1.00 64.01 C ATOM 883 OE1 GLN A 61 25.231 63.098 -31.035 1.00 52.54 O flip ATOM 884 NE2 GLN A 61 23.266 62.524 -30.119 1.00 61.52 N flip ATOM 0 H GLN A 61 23.532 67.073 -32.170 1.00 30.10 H new ATOM 0 HA GLN A 61 23.777 65.777 -34.799 1.00 24.42 H new ATOM 0 HB2 GLN A 61 23.892 63.717 -33.599 1.00 64.21 H new ATOM 0 HB3 GLN A 61 24.982 64.848 -32.822 1.00 64.21 H new ATOM 0 HG2 GLN A 61 23.263 65.272 -31.069 1.00 32.32 H new ATOM 0 HG3 GLN A 61 22.210 64.100 -31.836 1.00 32.32 H new ATOM 0 HE21 GLN A 61 22.261 62.668 -30.024 1.00 61.52 H new ATOM 0 HE22 GLN A 61 23.728 61.786 -29.588 1.00 61.52 H new ATOM 893 N ILE A 62 21.027 66.361 -33.248 1.00 25.21 N ATOM 894 CA ILE A 62 19.574 66.273 -33.324 1.00 60.23 C ATOM 895 C ILE A 62 19.092 66.678 -34.711 1.00 4.22 C ATOM 896 O ILE A 62 18.222 66.032 -35.291 1.00 73.53 O ATOM 897 CB ILE A 62 18.891 67.167 -32.260 1.00 31.41 C ATOM 898 CG1 ILE A 62 19.251 66.688 -30.851 1.00 75.12 C ATOM 899 CG2 ILE A 62 17.379 67.175 -32.451 1.00 11.33 C ATOM 900 CD1 ILE A 62 18.704 67.567 -29.747 1.00 54.33 C ATOM 0 H ILE A 62 21.373 67.068 -32.599 1.00 25.21 H new ATOM 0 HA ILE A 62 19.300 65.237 -33.127 1.00 60.23 H new ATOM 0 HB ILE A 62 19.255 68.187 -32.384 1.00 31.41 H new ATOM 0 HG12 ILE A 62 18.875 65.674 -30.715 1.00 75.12 H new ATOM 0 HG13 ILE A 62 20.336 66.640 -30.760 1.00 75.12 H new ATOM 0 HG21 ILE A 62 16.920 67.809 -31.693 1.00 11.33 H new ATOM 0 HG22 ILE A 62 17.139 67.562 -33.441 1.00 11.33 H new ATOM 0 HG23 ILE A 62 16.995 66.159 -32.356 1.00 11.33 H new ATOM 0 HD11 ILE A 62 19.001 67.163 -28.779 1.00 54.33 H new ATOM 0 HD12 ILE A 62 19.100 68.577 -29.856 1.00 54.33 H new ATOM 0 HD13 ILE A 62 17.616 67.596 -29.810 1.00 54.33 H new ATOM 912 N LEU A 63 19.695 67.735 -35.245 1.00 64.35 N ATOM 913 CA LEU A 63 19.339 68.244 -36.565 1.00 53.53 C ATOM 914 C LEU A 63 19.596 67.195 -37.642 1.00 34.31 C ATOM 915 O LEU A 63 18.892 67.138 -38.648 1.00 74.53 O ATOM 916 CB LEU A 63 20.120 69.525 -36.880 1.00 24.15 C ATOM 917 CG LEU A 63 19.545 70.824 -36.297 1.00 14.34 C ATOM 918 CD1 LEU A 63 19.545 70.798 -34.776 1.00 52.54 C ATOM 919 CD2 LEU A 63 20.338 72.019 -36.803 1.00 61.01 C ATOM 0 H LEU A 63 20.437 68.259 -34.781 1.00 64.35 H new ATOM 0 HA LEU A 63 18.274 68.476 -36.557 1.00 53.53 H new ATOM 0 HB2 LEU A 63 21.139 69.405 -36.513 1.00 24.15 H new ATOM 0 HB3 LEU A 63 20.182 69.632 -37.963 1.00 24.15 H new ATOM 0 HG LEU A 63 18.511 70.913 -36.629 1.00 14.34 H new ATOM 0 HD11 LEU A 63 19.132 71.732 -34.396 1.00 52.54 H new ATOM 0 HD12 LEU A 63 18.937 69.964 -34.426 1.00 52.54 H new ATOM 0 HD13 LEU A 63 20.566 70.679 -34.414 1.00 52.54 H new ATOM 0 HD21 LEU A 63 19.922 72.935 -36.384 1.00 61.01 H new ATOM 0 HD22 LEU A 63 21.380 71.920 -36.498 1.00 61.01 H new ATOM 0 HD23 LEU A 63 20.281 72.059 -37.891 1.00 61.01 H new ATOM 931 N GLY A 64 20.599 66.356 -37.416 1.00 54.14 N ATOM 932 CA GLY A 64 20.905 65.299 -38.359 1.00 43.53 C ATOM 933 C GLY A 64 19.878 64.185 -38.310 1.00 42.50 C ATOM 934 O GLY A 64 19.446 63.680 -39.348 1.00 45.41 O ATOM 0 H GLY A 64 21.206 66.389 -36.597 1.00 54.14 H new ATOM 0 HA2 GLY A 64 20.945 65.712 -39.367 1.00 43.53 H new ATOM 0 HA3 GLY A 64 21.893 64.893 -38.141 1.00 43.53 H new ATOM 938 N GLY A 65 19.470 63.823 -37.096 1.00 25.24 N ATOM 939 CA GLY A 65 18.495 62.763 -36.913 1.00 5.50 C ATOM 940 C GLY A 65 17.099 63.167 -37.346 1.00 33.53 C ATOM 941 O GLY A 65 16.250 62.309 -37.594 1.00 11.34 O ATOM 0 H GLY A 65 19.801 64.249 -36.230 1.00 25.24 H new ATOM 0 HA2 GLY A 65 18.807 61.887 -37.481 1.00 5.50 H new ATOM 0 HA3 GLY A 65 18.475 62.472 -35.863 1.00 5.50 H new ATOM 945 N LEU A 66 16.859 64.474 -37.438 1.00 53.33 N ATOM 946 CA LEU A 66 15.565 64.991 -37.879 1.00 72.23 C ATOM 947 C LEU A 66 15.206 64.456 -39.261 1.00 34.12 C ATOM 948 O LEU A 66 14.042 64.188 -39.551 1.00 33.03 O ATOM 949 CB LEU A 66 15.566 66.522 -37.901 1.00 31.31 C ATOM 950 CG LEU A 66 15.680 67.197 -36.531 1.00 64.21 C ATOM 951 CD1 LEU A 66 15.703 68.711 -36.687 1.00 22.03 C ATOM 952 CD2 LEU A 66 14.526 66.775 -35.628 1.00 65.03 C ATOM 0 H LEU A 66 17.545 65.195 -37.213 1.00 53.33 H new ATOM 0 HA LEU A 66 14.815 64.650 -37.165 1.00 72.23 H new ATOM 0 HB2 LEU A 66 16.395 66.859 -38.524 1.00 31.31 H new ATOM 0 HB3 LEU A 66 14.648 66.863 -38.380 1.00 31.31 H new ATOM 0 HG LEU A 66 16.614 66.880 -36.068 1.00 64.21 H new ATOM 0 HD11 LEU A 66 15.784 69.177 -35.705 1.00 22.03 H new ATOM 0 HD12 LEU A 66 16.558 69.001 -37.298 1.00 22.03 H new ATOM 0 HD13 LEU A 66 14.783 69.041 -37.170 1.00 22.03 H new ATOM 0 HD21 LEU A 66 14.624 67.265 -34.659 1.00 65.03 H new ATOM 0 HD22 LEU A 66 13.580 67.064 -36.087 1.00 65.03 H new ATOM 0 HD23 LEU A 66 14.547 65.694 -35.492 1.00 65.03 H new ATOM 964 N LEU A 67 16.216 64.274 -40.098 1.00 53.21 N ATOM 965 CA LEU A 67 16.005 63.779 -41.452 1.00 64.45 C ATOM 966 C LEU A 67 15.485 62.343 -41.431 1.00 60.43 C ATOM 967 O LEU A 67 14.640 61.971 -42.242 1.00 44.24 O ATOM 968 CB LEU A 67 17.297 63.873 -42.264 1.00 51.43 C ATOM 969 CG LEU A 67 17.819 65.298 -42.477 1.00 3.00 C ATOM 970 CD1 LEU A 67 19.127 65.277 -43.245 1.00 70.32 C ATOM 971 CD2 LEU A 67 16.788 66.142 -43.212 1.00 22.21 C ATOM 0 H LEU A 67 17.191 64.461 -39.864 1.00 53.21 H new ATOM 0 HA LEU A 67 15.251 64.405 -41.930 1.00 64.45 H new ATOM 0 HB2 LEU A 67 18.069 63.290 -41.762 1.00 51.43 H new ATOM 0 HB3 LEU A 67 17.132 63.412 -43.238 1.00 51.43 H new ATOM 0 HG LEU A 67 17.998 65.745 -41.499 1.00 3.00 H new ATOM 0 HD11 LEU A 67 19.482 66.298 -43.387 1.00 70.32 H new ATOM 0 HD12 LEU A 67 19.869 64.709 -42.684 1.00 70.32 H new ATOM 0 HD13 LEU A 67 18.971 64.809 -44.217 1.00 70.32 H new ATOM 0 HD21 LEU A 67 17.177 67.150 -43.354 1.00 22.21 H new ATOM 0 HD22 LEU A 67 16.577 65.695 -44.183 1.00 22.21 H new ATOM 0 HD23 LEU A 67 15.870 66.187 -42.626 1.00 22.21 H new ATOM 983 N SER A 68 15.970 61.547 -40.484 1.00 40.32 N ATOM 984 CA SER A 68 15.501 60.177 -40.331 1.00 11.31 C ATOM 985 C SER A 68 14.080 60.164 -39.772 1.00 75.02 C ATOM 986 O SER A 68 13.302 59.243 -40.034 1.00 75.11 O ATOM 987 CB SER A 68 16.445 59.390 -39.419 1.00 0.14 C ATOM 988 OG SER A 68 17.761 59.375 -39.949 1.00 4.11 O ATOM 0 H SER A 68 16.686 61.827 -39.813 1.00 40.32 H new ATOM 0 HA SER A 68 15.491 59.699 -41.311 1.00 11.31 H new ATOM 0 HB2 SER A 68 16.454 59.837 -38.425 1.00 0.14 H new ATOM 0 HB3 SER A 68 16.082 58.369 -39.307 1.00 0.14 H new ATOM 0 HG SER A 68 18.349 58.869 -39.350 1.00 4.11 H new ATOM 994 N ASN A 69 13.737 61.204 -39.019 1.00 22.22 N ATOM 995 CA ASN A 69 12.388 61.345 -38.488 1.00 3.21 C ATOM 996 C ASN A 69 11.424 61.724 -39.610 1.00 33.23 C ATOM 997 O ASN A 69 10.241 61.387 -39.573 1.00 41.32 O ATOM 998 CB ASN A 69 12.360 62.405 -37.386 1.00 53.44 C ATOM 999 CG ASN A 69 10.986 62.569 -36.764 1.00 25.14 C ATOM 1000 OD1 ASN A 69 10.161 63.348 -37.240 1.00 41.35 O ATOM 1001 ND2 ASN A 69 10.739 61.842 -35.685 1.00 2.13 N ATOM 0 H ASN A 69 14.373 61.959 -38.764 1.00 22.22 H new ATOM 0 HA ASN A 69 12.076 60.392 -38.061 1.00 3.21 H new ATOM 0 HB2 ASN A 69 13.076 62.134 -36.610 1.00 53.44 H new ATOM 0 HB3 ASN A 69 12.684 63.361 -37.799 1.00 53.44 H new ATOM 0 HD21 ASN A 69 9.836 61.916 -35.216 1.00 2.13 H new ATOM 0 HD22 ASN A 69 11.451 61.208 -35.323 1.00 2.13 H new ATOM 1008 N ILE A 70 11.956 62.386 -40.634 1.00 71.41 N ATOM 1009 CA ILE A 70 11.180 62.732 -41.821 1.00 54.25 C ATOM 1010 C ILE A 70 10.891 61.470 -42.631 1.00 15.54 C ATOM 1011 O ILE A 70 9.916 61.400 -43.381 1.00 23.53 O ATOM 1012 CB ILE A 70 11.924 63.768 -42.702 1.00 3.10 C ATOM 1013 CG1 ILE A 70 12.186 65.055 -41.910 1.00 23.53 C ATOM 1014 CG2 ILE A 70 11.135 64.081 -43.965 1.00 12.32 C ATOM 1015 CD1 ILE A 70 10.926 65.738 -41.417 1.00 42.43 C ATOM 0 H ILE A 70 12.928 62.695 -40.665 1.00 71.41 H new ATOM 0 HA ILE A 70 10.242 63.182 -41.495 1.00 54.25 H new ATOM 0 HB ILE A 70 12.879 63.333 -42.996 1.00 3.10 H new ATOM 0 HG12 ILE A 70 12.820 64.821 -41.054 1.00 23.53 H new ATOM 0 HG13 ILE A 70 12.743 65.750 -42.538 1.00 23.53 H new ATOM 0 HG21 ILE A 70 11.681 64.810 -44.564 1.00 12.32 H new ATOM 0 HG22 ILE A 70 10.997 63.168 -44.543 1.00 12.32 H new ATOM 0 HG23 ILE A 70 10.162 64.490 -43.694 1.00 12.32 H new ATOM 0 HD11 ILE A 70 11.193 66.640 -40.866 1.00 42.43 H new ATOM 0 HD12 ILE A 70 10.300 66.005 -42.268 1.00 42.43 H new ATOM 0 HD13 ILE A 70 10.378 65.061 -40.761 1.00 42.43 H new ATOM 1027 N ASN A 71 11.731 60.455 -42.439 1.00 10.14 N ATOM 1028 CA ASN A 71 11.563 59.168 -43.112 1.00 44.34 C ATOM 1029 C ASN A 71 10.476 58.341 -42.426 1.00 55.34 C ATOM 1030 O ASN A 71 10.288 57.163 -42.737 1.00 20.43 O ATOM 1031 CB ASN A 71 12.885 58.387 -43.134 1.00 33.10 C ATOM 1032 CG ASN A 71 13.980 59.085 -43.926 1.00 24.15 C ATOM 1033 OD1 ASN A 71 15.159 58.977 -43.598 1.00 2.11 O ATOM 1034 ND2 ASN A 71 13.606 59.794 -44.983 1.00 61.43 N ATOM 0 H ASN A 71 12.540 60.500 -41.819 1.00 10.14 H new ATOM 0 HA ASN A 71 11.259 59.363 -44.140 1.00 44.34 H new ATOM 0 HB2 ASN A 71 13.227 58.235 -42.110 1.00 33.10 H new ATOM 0 HB3 ASN A 71 12.709 57.400 -43.561 1.00 33.10 H new ATOM 0 HD21 ASN A 71 14.306 60.270 -45.551 1.00 61.43 H new ATOM 0 HD22 ASN A 71 12.618 59.863 -45.227 1.00 61.43 H new ATOM 1041 N THR A 72 9.797 58.977 -41.465 1.00 12.11 N ATOM 1042 CA THR A 72 8.615 58.430 -40.786 1.00 23.30 C ATOM 1043 C THR A 72 8.845 57.025 -40.215 1.00 44.31 C ATOM 1044 O THR A 72 7.911 56.223 -40.118 1.00 44.23 O ATOM 1045 CB THR A 72 7.372 58.432 -41.710 1.00 2.13 C ATOM 1046 OG1 THR A 72 7.634 57.733 -42.932 1.00 14.23 O ATOM 1047 CG2 THR A 72 6.945 59.854 -42.030 1.00 53.31 C ATOM 0 H THR A 72 10.058 59.904 -41.130 1.00 12.11 H new ATOM 0 HA THR A 72 8.428 59.096 -39.943 1.00 23.30 H new ATOM 0 HB THR A 72 6.569 57.923 -41.177 1.00 2.13 H new ATOM 0 HG1 THR A 72 6.833 57.748 -43.496 1.00 14.23 H new ATOM 0 HG21 THR A 72 6.070 59.834 -42.680 1.00 53.31 H new ATOM 0 HG22 THR A 72 6.698 60.376 -41.106 1.00 53.31 H new ATOM 0 HG23 THR A 72 7.760 60.374 -42.534 1.00 53.31 H new ATOM 1055 N GLY A 73 10.084 56.745 -39.817 1.00 3.13 N ATOM 1056 CA GLY A 73 10.392 55.492 -39.149 1.00 42.41 C ATOM 1057 C GLY A 73 10.323 54.288 -40.067 1.00 24.53 C ATOM 1058 O GLY A 73 9.947 53.195 -39.639 1.00 71.02 O ATOM 0 H GLY A 73 10.883 57.366 -39.946 1.00 3.13 H new ATOM 0 HA2 GLY A 73 11.391 55.554 -38.718 1.00 42.41 H new ATOM 0 HA3 GLY A 73 9.697 55.349 -38.322 1.00 42.41 H new ATOM 1062 N LYS A 74 10.647 54.490 -41.340 1.00 31.51 N ATOM 1063 CA LYS A 74 10.742 53.384 -42.288 1.00 51.44 C ATOM 1064 C LYS A 74 11.743 52.337 -41.794 1.00 44.43 C ATOM 1065 O LYS A 74 12.748 52.685 -41.166 1.00 24.01 O ATOM 1066 CB LYS A 74 11.149 53.901 -43.675 1.00 23.21 C ATOM 1067 CG LYS A 74 12.464 54.669 -43.689 1.00 4.23 C ATOM 1068 CD LYS A 74 12.793 55.214 -45.070 1.00 20.20 C ATOM 1069 CE LYS A 74 12.984 54.098 -46.080 1.00 35.24 C ATOM 1070 NZ LYS A 74 13.467 54.617 -47.385 1.00 22.45 N1+ ATOM 0 H LYS A 74 10.848 55.407 -41.739 1.00 31.51 H new ATOM 0 HA LYS A 74 9.762 52.913 -42.367 1.00 51.44 H new ATOM 0 HB2 LYS A 74 11.227 53.055 -44.358 1.00 23.21 H new ATOM 0 HB3 LYS A 74 10.359 54.547 -44.057 1.00 23.21 H new ATOM 0 HG2 LYS A 74 12.410 55.493 -42.978 1.00 4.23 H new ATOM 0 HG3 LYS A 74 13.269 54.014 -43.357 1.00 4.23 H new ATOM 0 HD2 LYS A 74 11.991 55.873 -45.402 1.00 20.20 H new ATOM 0 HD3 LYS A 74 13.700 55.817 -45.017 1.00 20.20 H new ATOM 0 HE2 LYS A 74 13.698 53.372 -45.690 1.00 35.24 H new ATOM 0 HE3 LYS A 74 12.040 53.572 -46.224 1.00 35.24 H new ATOM 0 HZ1 LYS A 74 13.635 53.822 -48.034 1.00 22.45 H new ATOM 0 HZ2 LYS A 74 12.751 55.252 -47.793 1.00 22.45 H new ATOM 0 HZ3 LYS A 74 14.354 55.141 -47.243 1.00 22.45 H new ATOM 1084 N PRO A 75 11.468 51.046 -42.045 1.00 62.34 N ATOM 1085 CA PRO A 75 12.374 49.951 -41.668 1.00 2.31 C ATOM 1086 C PRO A 75 13.742 50.098 -42.325 1.00 25.45 C ATOM 1087 O PRO A 75 13.837 50.346 -43.530 1.00 34.43 O ATOM 1088 CB PRO A 75 11.660 48.694 -42.182 1.00 60.25 C ATOM 1089 CG PRO A 75 10.232 49.092 -42.306 1.00 23.21 C ATOM 1090 CD PRO A 75 10.245 50.542 -42.692 1.00 65.03 C ATOM 0 HA PRO A 75 12.567 49.928 -40.596 1.00 2.31 H new ATOM 0 HB2 PRO A 75 12.066 48.373 -43.141 1.00 60.25 H new ATOM 0 HB3 PRO A 75 11.780 47.860 -41.490 1.00 60.25 H new ATOM 0 HG2 PRO A 75 9.722 48.491 -43.059 1.00 23.21 H new ATOM 0 HG3 PRO A 75 9.701 48.942 -41.366 1.00 23.21 H new ATOM 0 HD2 PRO A 75 10.278 50.671 -43.774 1.00 65.03 H new ATOM 0 HD3 PRO A 75 9.356 51.063 -42.336 1.00 65.03 H new ATOM 1098 N GLY A 76 14.794 49.955 -41.529 1.00 12.10 N ATOM 1099 CA GLY A 76 16.136 50.138 -42.041 1.00 14.01 C ATOM 1100 C GLY A 76 17.088 49.034 -41.627 1.00 13.34 C ATOM 1101 O GLY A 76 17.277 48.067 -42.360 1.00 72.12 O ATOM 0 H GLY A 76 14.741 49.716 -40.539 1.00 12.10 H new ATOM 0 HA2 GLY A 76 16.099 50.188 -43.129 1.00 14.01 H new ATOM 0 HA3 GLY A 76 16.524 51.094 -41.691 1.00 14.01 H new ATOM 1105 N ARG A 77 17.681 49.175 -40.448 1.00 2.44 N ATOM 1106 CA ARG A 77 18.709 48.242 -39.997 1.00 13.33 C ATOM 1107 C ARG A 77 18.104 46.948 -39.455 1.00 22.11 C ATOM 1108 O ARG A 77 17.016 46.945 -38.880 1.00 0.25 O ATOM 1109 CB ARG A 77 19.606 48.900 -38.941 1.00 21.41 C ATOM 1110 CG ARG A 77 18.893 49.263 -37.647 1.00 30.43 C ATOM 1111 CD ARG A 77 19.843 49.921 -36.658 1.00 20.32 C ATOM 1112 NE ARG A 77 19.246 50.074 -35.334 1.00 45.02 N ATOM 1113 CZ ARG A 77 19.946 50.097 -34.201 1.00 1.11 C ATOM 1114 NH1 ARG A 77 21.273 50.075 -34.230 1.00 21.40 N1+ ATOM 1115 NH2 ARG A 77 19.319 50.156 -33.034 1.00 14.15 N ATOM 0 H ARG A 77 17.470 49.923 -39.788 1.00 2.44 H new ATOM 0 HA ARG A 77 19.317 47.981 -40.863 1.00 13.33 H new ATOM 0 HB2 ARG A 77 20.430 48.225 -38.710 1.00 21.41 H new ATOM 0 HB3 ARG A 77 20.044 49.803 -39.366 1.00 21.41 H new ATOM 0 HG2 ARG A 77 18.065 49.938 -37.863 1.00 30.43 H new ATOM 0 HG3 ARG A 77 18.465 48.365 -37.201 1.00 30.43 H new ATOM 0 HD2 ARG A 77 20.751 49.324 -36.578 1.00 20.32 H new ATOM 0 HD3 ARG A 77 20.137 50.900 -37.037 1.00 20.32 H new ATOM 0 HE ARG A 77 18.232 50.169 -35.273 1.00 45.02 H new ATOM 0 HH11 ARG A 77 21.763 50.040 -35.124 1.00 21.40 H new ATOM 0 HH12 ARG A 77 21.803 50.093 -33.358 1.00 21.40 H new ATOM 0 HH21 ARG A 77 18.300 50.184 -33.003 1.00 14.15 H new ATOM 0 HH22 ARG A 77 19.856 50.174 -32.167 1.00 14.15 H new ATOM 1129 N MET A 78 18.826 45.856 -39.649 1.00 12.00 N ATOM 1130 CA MET A 78 18.392 44.544 -39.199 1.00 2.03 C ATOM 1131 C MET A 78 19.397 43.965 -38.210 1.00 70.13 C ATOM 1132 O MET A 78 20.602 43.974 -38.466 1.00 44.34 O ATOM 1133 CB MET A 78 18.245 43.599 -40.396 1.00 63.14 C ATOM 1134 CG MET A 78 17.887 42.167 -40.015 1.00 52.15 C ATOM 1135 SD MET A 78 17.925 41.036 -41.422 1.00 73.31 S ATOM 1136 CE MET A 78 16.652 41.742 -42.465 1.00 35.54 C ATOM 0 H MET A 78 19.729 45.855 -40.123 1.00 12.00 H new ATOM 0 HA MET A 78 17.427 44.649 -38.704 1.00 2.03 H new ATOM 0 HB2 MET A 78 17.476 43.990 -41.062 1.00 63.14 H new ATOM 0 HB3 MET A 78 19.179 43.592 -40.957 1.00 63.14 H new ATOM 0 HG2 MET A 78 18.582 41.814 -39.253 1.00 52.15 H new ATOM 0 HG3 MET A 78 16.892 42.153 -39.570 1.00 52.15 H new ATOM 0 HE1 MET A 78 16.383 41.029 -43.244 1.00 35.54 H new ATOM 0 HE2 MET A 78 15.773 41.970 -41.862 1.00 35.54 H new ATOM 0 HE3 MET A 78 17.024 42.658 -42.924 1.00 35.54 H new ATOM 1146 N VAL A 79 18.902 43.470 -37.084 1.00 63.22 N ATOM 1147 CA VAL A 79 19.756 42.826 -36.097 1.00 53.31 C ATOM 1148 C VAL A 79 20.205 41.465 -36.622 1.00 34.33 C ATOM 1149 O VAL A 79 19.378 40.641 -37.009 1.00 23.05 O ATOM 1150 CB VAL A 79 19.028 42.648 -34.746 1.00 51.15 C ATOM 1151 CG1 VAL A 79 19.949 42.022 -33.712 1.00 62.34 C ATOM 1152 CG2 VAL A 79 18.487 43.983 -34.252 1.00 20.14 C ATOM 0 H VAL A 79 17.914 43.502 -36.832 1.00 63.22 H new ATOM 0 HA VAL A 79 20.622 43.466 -35.930 1.00 53.31 H new ATOM 0 HB VAL A 79 18.186 41.972 -34.898 1.00 51.15 H new ATOM 0 HG11 VAL A 79 19.413 41.907 -32.770 1.00 62.34 H new ATOM 0 HG12 VAL A 79 20.279 41.044 -34.063 1.00 62.34 H new ATOM 0 HG13 VAL A 79 20.816 42.665 -33.560 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.977 43.839 -33.299 1.00 20.14 H new ATOM 0 HG22 VAL A 79 19.312 44.683 -34.120 1.00 20.14 H new ATOM 0 HG23 VAL A 79 17.784 44.384 -34.983 1.00 20.14 H new ATOM 1162 N THR A 80 21.509 41.244 -36.660 1.00 24.24 N ATOM 1163 CA THR A 80 22.053 40.015 -37.209 1.00 43.31 C ATOM 1164 C THR A 80 23.006 39.356 -36.209 1.00 22.22 C ATOM 1165 O THR A 80 23.462 39.998 -35.260 1.00 20.53 O ATOM 1166 CB THR A 80 22.789 40.306 -38.530 1.00 4.42 C ATOM 1167 OG1 THR A 80 22.060 41.285 -39.279 1.00 23.43 O ATOM 1168 CG2 THR A 80 22.941 39.047 -39.365 1.00 23.11 C ATOM 0 H THR A 80 22.210 41.901 -36.317 1.00 24.24 H new ATOM 0 HA THR A 80 21.229 39.329 -37.406 1.00 43.31 H new ATOM 0 HB THR A 80 23.784 40.681 -38.289 1.00 4.42 H new ATOM 0 HG1 THR A 80 21.663 40.863 -40.070 1.00 23.43 H new ATOM 0 HG21 THR A 80 23.464 39.285 -40.291 1.00 23.11 H new ATOM 0 HG22 THR A 80 23.512 38.306 -38.806 1.00 23.11 H new ATOM 0 HG23 THR A 80 21.955 38.644 -39.599 1.00 23.11 H new ATOM 1176 N ASN A 81 23.291 38.075 -36.412 1.00 12.13 N ATOM 1177 CA ASN A 81 24.176 37.330 -35.523 1.00 13.33 C ATOM 1178 C ASN A 81 25.630 37.753 -35.708 1.00 53.52 C ATOM 1179 O ASN A 81 26.178 38.502 -34.902 1.00 72.31 O ATOM 1180 CB ASN A 81 24.051 35.820 -35.766 1.00 31.34 C ATOM 1181 CG ASN A 81 22.700 35.250 -35.364 1.00 23.22 C ATOM 1182 OD1 ASN A 81 21.676 35.929 -35.415 1.00 55.05 O ATOM 1183 ND2 ASN A 81 22.691 33.988 -34.961 1.00 51.02 N ATOM 0 H ASN A 81 22.920 37.528 -37.189 1.00 12.13 H new ATOM 0 HA ASN A 81 23.871 37.555 -34.501 1.00 13.33 H new ATOM 0 HB2 ASN A 81 24.223 35.615 -36.823 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.834 35.305 -35.210 1.00 31.34 H new ATOM 0 HD21 ASN A 81 21.814 33.549 -34.680 1.00 51.02 H new ATOM 0 HD22 ASN A 81 23.561 33.456 -34.932 1.00 51.02 H new ATOM 1190 N ASP A 82 26.242 37.294 -36.797 1.00 32.11 N ATOM 1191 CA ASP A 82 27.668 37.517 -37.035 1.00 24.13 C ATOM 1192 C ASP A 82 27.919 38.819 -37.781 1.00 61.51 C ATOM 1193 O ASP A 82 29.053 39.124 -38.150 1.00 75.51 O ATOM 1194 CB ASP A 82 28.266 36.349 -37.823 1.00 23.52 C ATOM 1195 CG ASP A 82 28.218 35.050 -37.051 1.00 72.21 C ATOM 1196 OD1 ASP A 82 29.212 34.721 -36.368 1.00 63.25 O ATOM 1197 OD2 ASP A 82 27.182 34.357 -37.112 1.00 30.43 O1- ATOM 0 H ASP A 82 25.772 36.764 -37.531 1.00 32.11 H new ATOM 0 HA ASP A 82 28.153 37.586 -36.061 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.724 36.231 -38.761 1.00 23.52 H new ATOM 0 HB3 ASP A 82 29.300 36.579 -38.079 1.00 23.52 H new ATOM 1202 N TYR A 83 26.869 39.592 -37.987 1.00 2.10 N ATOM 1203 CA TYR A 83 26.985 40.865 -38.684 1.00 61.22 C ATOM 1204 C TYR A 83 26.045 41.893 -38.085 1.00 25.13 C ATOM 1205 O TYR A 83 25.172 41.560 -37.287 1.00 35.42 O ATOM 1206 CB TYR A 83 26.655 40.709 -40.174 1.00 22.35 C ATOM 1207 CG TYR A 83 27.742 40.068 -41.006 1.00 63.34 C ATOM 1208 CD1 TYR A 83 27.751 38.699 -41.247 1.00 54.31 C ATOM 1209 CD2 TYR A 83 28.748 40.841 -41.567 1.00 61.31 C ATOM 1210 CE1 TYR A 83 28.737 38.119 -42.021 1.00 54.50 C ATOM 1211 CE2 TYR A 83 29.738 40.268 -42.339 1.00 43.02 C ATOM 1212 CZ TYR A 83 29.727 38.908 -42.566 1.00 0.23 C ATOM 1213 OH TYR A 83 30.710 38.337 -43.343 1.00 35.22 O ATOM 0 H TYR A 83 25.923 39.362 -37.682 1.00 2.10 H new ATOM 0 HA TYR A 83 28.016 41.201 -38.574 1.00 61.22 H new ATOM 0 HB2 TYR A 83 25.747 40.114 -40.269 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.435 41.694 -40.587 1.00 22.35 H new ATOM 0 HD1 TYR A 83 26.975 38.079 -40.822 1.00 54.31 H new ATOM 0 HD2 TYR A 83 28.757 41.908 -41.397 1.00 61.31 H new ATOM 0 HE1 TYR A 83 28.732 37.054 -42.198 1.00 54.50 H new ATOM 0 HE2 TYR A 83 30.518 40.882 -42.764 1.00 43.02 H new ATOM 0 HH TYR A 83 31.329 39.032 -43.650 1.00 35.22 H new ATOM 1223 N ILE A 84 26.248 43.139 -38.468 1.00 71.04 N ATOM 1224 CA ILE A 84 25.298 44.203 -38.190 1.00 33.43 C ATOM 1225 C ILE A 84 24.863 44.826 -39.506 1.00 24.33 C ATOM 1226 O ILE A 84 25.595 45.622 -40.092 1.00 13.30 O ATOM 1227 CB ILE A 84 25.893 45.302 -37.275 1.00 35.11 C ATOM 1228 CG1 ILE A 84 26.240 44.727 -35.898 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.926 46.473 -37.136 1.00 63.41 C ATOM 1230 CD1 ILE A 84 25.034 44.230 -35.135 1.00 21.15 C ATOM 0 H ILE A 84 27.075 43.444 -38.981 1.00 71.04 H new ATOM 0 HA ILE A 84 24.450 43.766 -37.663 1.00 33.43 H new ATOM 0 HB ILE A 84 26.809 45.669 -37.737 1.00 35.11 H new ATOM 0 HG12 ILE A 84 26.946 43.906 -36.023 1.00 70.51 H new ATOM 0 HG13 ILE A 84 26.743 45.493 -35.309 1.00 70.51 H new ATOM 0 HG21 ILE A 84 25.365 47.233 -36.489 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.731 46.902 -38.119 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.990 46.122 -36.701 1.00 63.41 H new ATOM 0 HD11 ILE A 84 25.351 43.836 -34.169 1.00 21.15 H new ATOM 0 HD12 ILE A 84 24.337 45.053 -34.980 1.00 21.15 H new ATOM 0 HD13 ILE A 84 24.543 43.441 -35.705 1.00 21.15 H new ATOM 1242 N VAL A 85 23.700 44.427 -39.991 1.00 45.21 N ATOM 1243 CA VAL A 85 23.189 44.952 -41.244 1.00 41.00 C ATOM 1244 C VAL A 85 22.451 46.264 -40.997 1.00 52.13 C ATOM 1245 O VAL A 85 21.230 46.291 -40.856 1.00 43.50 O ATOM 1246 CB VAL A 85 22.261 43.944 -41.955 1.00 62.43 C ATOM 1247 CG1 VAL A 85 21.847 44.454 -43.324 1.00 1.04 C ATOM 1248 CG2 VAL A 85 22.940 42.591 -42.077 1.00 64.33 C ATOM 0 H VAL A 85 23.094 43.743 -39.538 1.00 45.21 H new ATOM 0 HA VAL A 85 24.041 45.132 -41.900 1.00 41.00 H new ATOM 0 HB VAL A 85 21.361 43.830 -41.350 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.194 43.724 -43.802 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.316 45.400 -43.215 1.00 1.04 H new ATOM 0 HG13 VAL A 85 22.734 44.605 -43.939 1.00 1.04 H new ATOM 0 HG21 VAL A 85 22.272 41.893 -42.581 1.00 64.33 H new ATOM 0 HG22 VAL A 85 23.858 42.695 -42.655 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.178 42.213 -41.083 1.00 64.33 H new ATOM 1258 N ASP A 86 23.212 47.345 -40.910 1.00 31.13 N ATOM 1259 CA ASP A 86 22.653 48.658 -40.626 1.00 20.21 C ATOM 1260 C ASP A 86 22.384 49.431 -41.908 1.00 24.31 C ATOM 1261 O ASP A 86 23.291 50.010 -42.499 1.00 74.51 O ATOM 1262 CB ASP A 86 23.598 49.461 -39.731 1.00 4.42 C ATOM 1263 CG ASP A 86 23.080 50.857 -39.455 1.00 33.31 C ATOM 1264 OD1 ASP A 86 22.201 51.005 -38.580 1.00 21.44 O ATOM 1265 OD2 ASP A 86 23.556 51.815 -40.102 1.00 45.22 O1- ATOM 0 H ASP A 86 24.225 47.338 -41.033 1.00 31.13 H new ATOM 0 HA ASP A 86 21.707 48.508 -40.107 1.00 20.21 H new ATOM 0 HB2 ASP A 86 23.736 48.934 -38.787 1.00 4.42 H new ATOM 0 HB3 ASP A 86 24.577 49.526 -40.206 1.00 4.42 H new ATOM 1270 N ILE A 87 21.142 49.419 -42.350 1.00 70.13 N ATOM 1271 CA ILE A 87 20.755 50.197 -43.511 1.00 11.31 C ATOM 1272 C ILE A 87 20.380 51.611 -43.077 1.00 5.45 C ATOM 1273 O ILE A 87 19.255 51.864 -42.642 1.00 31.44 O ATOM 1274 CB ILE A 87 19.574 49.554 -44.274 1.00 73.15 C ATOM 1275 CG1 ILE A 87 19.906 48.104 -44.645 1.00 41.53 C ATOM 1276 CG2 ILE A 87 19.250 50.361 -45.526 1.00 33.35 C ATOM 1277 CD1 ILE A 87 18.773 47.374 -45.343 1.00 31.30 C ATOM 0 H ILE A 87 20.386 48.882 -41.925 1.00 70.13 H new ATOM 0 HA ILE A 87 21.607 50.227 -44.190 1.00 11.31 H new ATOM 0 HB ILE A 87 18.699 49.555 -43.624 1.00 73.15 H new ATOM 0 HG12 ILE A 87 20.783 48.096 -45.292 1.00 41.53 H new ATOM 0 HG13 ILE A 87 20.173 47.559 -43.739 1.00 41.53 H new ATOM 0 HG21 ILE A 87 18.417 49.896 -46.053 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.979 51.378 -45.243 1.00 33.35 H new ATOM 0 HG23 ILE A 87 20.123 50.386 -46.178 1.00 33.35 H new ATOM 0 HD11 ILE A 87 19.084 46.355 -45.573 1.00 31.30 H new ATOM 0 HD12 ILE A 87 17.900 47.348 -44.691 1.00 31.30 H new ATOM 0 HD13 ILE A 87 18.520 47.894 -46.267 1.00 31.30 H new ATOM 1289 N ALA A 88 21.341 52.518 -43.164 1.00 34.53 N ATOM 1290 CA ALA A 88 21.124 53.899 -42.783 1.00 21.21 C ATOM 1291 C ALA A 88 20.594 54.699 -43.963 1.00 23.43 C ATOM 1292 O ALA A 88 21.278 54.868 -44.974 1.00 54.14 O ATOM 1293 CB ALA A 88 22.413 54.513 -42.256 1.00 40.44 C ATOM 0 H ALA A 88 22.284 52.317 -43.498 1.00 34.53 H new ATOM 0 HA ALA A 88 20.379 53.926 -41.987 1.00 21.21 H new ATOM 0 HB1 ALA A 88 22.233 55.550 -41.974 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.753 53.954 -41.384 1.00 40.44 H new ATOM 0 HB3 ALA A 88 23.178 54.475 -43.032 1.00 40.44 H new ATOM 1299 N ASN A 89 19.365 55.164 -43.839 1.00 52.24 N ATOM 1300 CA ASN A 89 18.751 55.976 -44.874 1.00 21.13 C ATOM 1301 C ASN A 89 18.603 57.410 -44.397 1.00 22.12 C ATOM 1302 O ASN A 89 17.835 57.694 -43.483 1.00 62.21 O ATOM 1303 CB ASN A 89 17.384 55.407 -45.267 1.00 44.43 C ATOM 1304 CG ASN A 89 16.715 56.184 -46.392 1.00 51.24 C ATOM 1305 OD1 ASN A 89 15.488 56.270 -46.454 1.00 34.21 O ATOM 1306 ND2 ASN A 89 17.503 56.740 -47.305 1.00 52.10 N ATOM 0 H ASN A 89 18.770 54.993 -43.029 1.00 52.24 H new ATOM 0 HA ASN A 89 19.397 55.960 -45.752 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.504 54.368 -45.573 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.732 55.409 -44.394 1.00 44.43 H new ATOM 0 HD21 ASN A 89 17.095 57.256 -48.085 1.00 52.10 H new ATOM 0 HD22 ASN A 89 18.516 56.651 -47.226 1.00 52.10 H new ATOM 1313 N ARG A 90 19.370 58.302 -44.997 1.00 34.23 N ATOM 1314 CA ARG A 90 19.262 59.718 -44.696 1.00 61.53 C ATOM 1315 C ARG A 90 19.079 60.499 -45.989 1.00 14.51 C ATOM 1316 O ARG A 90 19.785 60.246 -46.970 1.00 31.12 O ATOM 1317 CB ARG A 90 20.499 60.214 -43.941 1.00 1.00 C ATOM 1318 CG ARG A 90 20.319 61.596 -43.330 1.00 75.44 C ATOM 1319 CD ARG A 90 21.544 62.030 -42.538 1.00 14.21 C ATOM 1320 NE ARG A 90 22.716 62.230 -43.387 1.00 45.22 N ATOM 1321 CZ ARG A 90 23.101 63.416 -43.850 1.00 45.51 C ATOM 1322 NH1 ARG A 90 22.391 64.504 -43.574 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 24.199 63.521 -44.583 1.00 21.12 N ATOM 0 H ARG A 90 20.075 58.071 -45.697 1.00 34.23 H new ATOM 0 HA ARG A 90 18.395 59.875 -44.054 1.00 61.53 H new ATOM 0 HB2 ARG A 90 20.742 59.504 -43.150 1.00 1.00 H new ATOM 0 HB3 ARG A 90 21.349 60.234 -44.624 1.00 1.00 H new ATOM 0 HG2 ARG A 90 20.123 62.320 -44.121 1.00 75.44 H new ATOM 0 HG3 ARG A 90 19.446 61.593 -42.677 1.00 75.44 H new ATOM 0 HD2 ARG A 90 21.321 62.956 -42.008 1.00 14.21 H new ATOM 0 HD3 ARG A 90 21.770 61.277 -41.783 1.00 14.21 H new ATOM 0 HE ARG A 90 23.271 61.413 -43.639 1.00 45.22 H new ATOM 0 HH11 ARG A 90 21.547 64.432 -43.005 1.00 34.45 H new ATOM 0 HH12 ARG A 90 22.689 65.412 -43.931 1.00 34.45 H new ATOM 0 HH21 ARG A 90 24.753 62.691 -44.794 1.00 21.12 H new ATOM 0 HH22 ARG A 90 24.491 64.432 -44.936 1.00 21.12 H new ATOM 1337 N ASP A 91 18.119 61.426 -45.983 1.00 14.33 N ATOM 1338 CA ASP A 91 17.760 62.211 -47.172 1.00 71.02 C ATOM 1339 C ASP A 91 17.194 61.306 -48.260 1.00 43.52 C ATOM 1340 O ASP A 91 15.983 61.101 -48.355 1.00 61.51 O ATOM 1341 CB ASP A 91 18.965 62.989 -47.731 1.00 34.34 C ATOM 1342 CG ASP A 91 19.457 64.083 -46.809 1.00 2.00 C ATOM 1343 OD1 ASP A 91 20.517 63.900 -46.172 1.00 21.24 O ATOM 1344 OD2 ASP A 91 18.794 65.136 -46.733 1.00 32.31 O1- ATOM 0 H ASP A 91 17.568 61.656 -45.156 1.00 14.33 H new ATOM 0 HA ASP A 91 17.002 62.931 -46.863 1.00 71.02 H new ATOM 0 HB2 ASP A 91 19.781 62.292 -47.922 1.00 34.34 H new ATOM 0 HB3 ASP A 91 18.690 63.429 -48.690 1.00 34.34 H new ATOM 1349 N GLY A 92 18.087 60.744 -49.052 1.00 75.32 N ATOM 1350 CA GLY A 92 17.704 59.821 -50.095 1.00 62.34 C ATOM 1351 C GLY A 92 18.782 58.789 -50.327 1.00 52.21 C ATOM 1352 O GLY A 92 18.783 58.089 -51.338 1.00 23.30 O ATOM 0 H GLY A 92 19.091 60.915 -48.989 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.773 59.324 -49.822 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.515 60.368 -51.018 1.00 62.34 H new ATOM 1356 N GLN A 93 19.705 58.697 -49.379 1.00 55.42 N ATOM 1357 CA GLN A 93 20.830 57.785 -49.492 1.00 43.03 C ATOM 1358 C GLN A 93 20.564 56.501 -48.721 1.00 53.23 C ATOM 1359 O GLN A 93 20.259 56.533 -47.530 1.00 62.41 O ATOM 1360 CB GLN A 93 22.107 58.444 -48.956 1.00 32.14 C ATOM 1361 CG GLN A 93 22.537 59.681 -49.727 1.00 62.32 C ATOM 1362 CD GLN A 93 23.885 59.513 -50.406 1.00 5.43 C ATOM 1363 OE1 GLN A 93 24.633 60.476 -50.566 1.00 25.23 O ATOM 1364 NE2 GLN A 93 24.201 58.294 -50.817 1.00 33.20 N ATOM 0 H GLN A 93 19.694 59.247 -48.520 1.00 55.42 H new ATOM 0 HA GLN A 93 20.962 57.544 -50.547 1.00 43.03 H new ATOM 0 HB2 GLN A 93 21.952 58.715 -47.912 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.917 57.715 -48.979 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.783 59.915 -50.479 1.00 62.32 H new ATOM 0 HG3 GLN A 93 22.582 60.531 -49.046 1.00 62.32 H new ATOM 0 HE21 GLN A 93 23.553 57.521 -50.666 1.00 33.20 H new ATOM 0 HE22 GLN A 93 25.092 58.129 -51.285 1.00 33.20 H new ATOM 1373 N LEU A 94 20.658 55.378 -49.410 1.00 22.14 N ATOM 1374 CA LEU A 94 20.609 54.080 -48.758 1.00 50.31 C ATOM 1375 C LEU A 94 22.031 53.606 -48.512 1.00 43.43 C ATOM 1376 O LEU A 94 22.713 53.158 -49.432 1.00 52.24 O ATOM 1377 CB LEU A 94 19.844 53.053 -49.603 1.00 41.23 C ATOM 1378 CG LEU A 94 18.311 53.146 -49.557 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.808 53.010 -48.127 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.816 54.447 -50.179 1.00 42.11 C ATOM 0 H LEU A 94 20.769 55.338 -50.423 1.00 22.14 H new ATOM 0 HA LEU A 94 20.077 54.180 -47.812 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.163 53.157 -50.640 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.137 52.055 -49.278 1.00 41.23 H new ATOM 0 HG LEU A 94 17.909 52.321 -50.145 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.720 53.079 -48.116 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.115 52.045 -47.724 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.228 53.809 -47.516 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.728 54.482 -50.131 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.231 55.293 -49.631 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.135 54.497 -51.220 1.00 42.11 H new ATOM 1392 N GLN A 95 22.490 53.754 -47.283 1.00 22.34 N ATOM 1393 CA GLN A 95 23.867 53.449 -46.949 1.00 52.10 C ATOM 1394 C GLN A 95 23.938 52.313 -45.933 1.00 55.53 C ATOM 1395 O GLN A 95 23.552 52.473 -44.779 1.00 20.22 O ATOM 1396 CB GLN A 95 24.543 54.714 -46.417 1.00 54.30 C ATOM 1397 CG GLN A 95 26.006 54.538 -46.048 1.00 4.25 C ATOM 1398 CD GLN A 95 26.715 55.860 -45.800 1.00 5.40 C ATOM 1399 OE1 GLN A 95 26.343 56.892 -46.542 1.00 14.41 O flip ATOM 1400 NE2 GLN A 95 27.618 55.947 -44.967 1.00 5.31 N flip ATOM 0 H GLN A 95 21.927 54.084 -46.499 1.00 22.34 H new ATOM 0 HA GLN A 95 24.394 53.115 -47.843 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.463 55.498 -47.170 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.999 55.060 -45.538 1.00 54.30 H new ATOM 0 HG2 GLN A 95 26.078 53.919 -45.154 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.516 54.002 -46.849 1.00 4.25 H new ATOM 0 HE21 GLN A 95 27.880 55.132 -44.412 1.00 5.31 H new ATOM 0 HE22 GLN A 95 28.104 56.834 -44.832 1.00 5.31 H new ATOM 1409 N LEU A 96 24.422 51.167 -46.381 1.00 75.11 N ATOM 1410 CA LEU A 96 24.489 49.979 -45.547 1.00 53.33 C ATOM 1411 C LEU A 96 25.808 49.922 -44.783 1.00 12.32 C ATOM 1412 O LEU A 96 26.865 49.707 -45.369 1.00 51.50 O ATOM 1413 CB LEU A 96 24.328 48.730 -46.419 1.00 11.23 C ATOM 1414 CG LEU A 96 24.489 47.392 -45.694 1.00 54.15 C ATOM 1415 CD1 LEU A 96 23.438 47.245 -44.609 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.403 46.240 -46.685 1.00 11.35 C ATOM 0 H LEU A 96 24.778 51.034 -47.328 1.00 75.11 H new ATOM 0 HA LEU A 96 23.679 50.019 -44.818 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.341 48.756 -46.881 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.059 48.776 -47.226 1.00 11.23 H new ATOM 0 HG LEU A 96 25.471 47.368 -45.222 1.00 54.15 H new ATOM 0 HD11 LEU A 96 23.568 46.288 -44.104 1.00 12.31 H new ATOM 0 HD12 LEU A 96 23.545 48.054 -43.886 1.00 12.31 H new ATOM 0 HD13 LEU A 96 22.445 47.288 -45.056 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.519 45.295 -46.155 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.434 46.260 -47.183 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.195 46.339 -47.428 1.00 11.35 H new ATOM 1428 N ASN A 97 25.739 50.124 -43.478 1.00 24.34 N ATOM 1429 CA ASN A 97 26.920 50.057 -42.629 1.00 24.31 C ATOM 1430 C ASN A 97 27.010 48.688 -41.978 1.00 43.41 C ATOM 1431 O ASN A 97 26.480 48.473 -40.888 1.00 33.42 O ATOM 1432 CB ASN A 97 26.891 51.137 -41.538 1.00 32.34 C ATOM 1433 CG ASN A 97 26.833 52.546 -42.090 1.00 4.11 C ATOM 1434 OD1 ASN A 97 27.862 53.147 -42.399 1.00 11.22 O ATOM 1435 ND2 ASN A 97 25.633 53.098 -42.176 1.00 2.51 N ATOM 0 H ASN A 97 24.874 50.337 -42.980 1.00 24.34 H new ATOM 0 HA ASN A 97 27.793 50.229 -43.259 1.00 24.31 H new ATOM 0 HB2 ASN A 97 26.027 50.971 -40.895 1.00 32.34 H new ATOM 0 HB3 ASN A 97 27.778 51.036 -40.913 1.00 32.34 H new ATOM 0 HD21 ASN A 97 25.536 54.057 -42.509 1.00 2.51 H new ATOM 0 HD22 ASN A 97 24.806 52.564 -41.910 1.00 2.51 H new ATOM 1442 N VAL A 98 27.651 47.750 -42.654 1.00 45.14 N ATOM 1443 CA VAL A 98 27.819 46.418 -42.103 1.00 72.02 C ATOM 1444 C VAL A 98 28.944 46.401 -41.089 1.00 15.31 C ATOM 1445 O VAL A 98 30.121 46.427 -41.443 1.00 42.35 O ATOM 1446 CB VAL A 98 28.078 45.359 -43.196 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.551 44.045 -42.591 1.00 50.42 C ATOM 1448 CG2 VAL A 98 26.818 45.134 -43.997 1.00 24.02 C ATOM 0 H VAL A 98 28.061 47.885 -43.578 1.00 45.14 H new ATOM 0 HA VAL A 98 26.882 46.158 -41.610 1.00 72.02 H new ATOM 0 HB VAL A 98 28.866 45.731 -43.851 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.725 43.320 -43.386 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.478 44.210 -42.042 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.790 43.662 -41.911 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.005 44.386 -44.767 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.025 44.784 -43.337 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.513 46.069 -44.466 1.00 24.02 H new ATOM 1458 N THR A 99 28.569 46.396 -39.829 1.00 13.53 N ATOM 1459 CA THR A 99 29.530 46.302 -38.755 1.00 63.52 C ATOM 1460 C THR A 99 29.754 44.836 -38.404 1.00 34.14 C ATOM 1461 O THR A 99 28.878 44.187 -37.831 1.00 52.04 O ATOM 1462 CB THR A 99 29.034 47.071 -37.517 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.650 48.403 -37.893 1.00 32.14 O ATOM 1464 CG2 THR A 99 30.112 47.134 -36.442 1.00 64.32 C ATOM 0 H THR A 99 27.598 46.456 -39.523 1.00 13.53 H new ATOM 0 HA THR A 99 30.471 46.747 -39.080 1.00 63.52 H new ATOM 0 HB THR A 99 28.173 46.541 -37.110 1.00 15.12 H new ATOM 0 HG1 THR A 99 28.334 48.888 -37.102 1.00 32.14 H new ATOM 0 HG21 THR A 99 29.734 47.683 -35.579 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.383 46.123 -36.138 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.992 47.642 -36.838 1.00 64.32 H new ATOM 1472 N ASP A 100 30.902 44.303 -38.790 1.00 61.11 N ATOM 1473 CA ASP A 100 31.200 42.897 -38.553 1.00 23.41 C ATOM 1474 C ASP A 100 31.250 42.601 -37.061 1.00 63.40 C ATOM 1475 O ASP A 100 31.770 43.395 -36.271 1.00 62.23 O ATOM 1476 CB ASP A 100 32.519 42.501 -39.206 1.00 14.41 C ATOM 1477 CG ASP A 100 32.762 41.007 -39.136 1.00 53.52 C ATOM 1478 OD1 ASP A 100 33.381 40.550 -38.156 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.343 40.285 -40.059 1.00 11.31 O1- ATOM 0 H ASP A 100 31.641 44.819 -39.267 1.00 61.11 H new ATOM 0 HA ASP A 100 30.400 42.308 -39.002 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.517 42.819 -40.248 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.339 43.025 -38.714 1.00 14.41 H new ATOM 1484 N ARG A 101 30.713 41.454 -36.687 1.00 1.22 N ATOM 1485 CA ARG A 101 30.587 41.086 -35.287 1.00 70.42 C ATOM 1486 C ARG A 101 31.924 40.629 -34.697 1.00 41.44 C ATOM 1487 O ARG A 101 32.224 40.910 -33.536 1.00 3.54 O ATOM 1488 CB ARG A 101 29.550 39.972 -35.148 1.00 70.04 C ATOM 1489 CG ARG A 101 29.299 39.536 -33.716 1.00 12.41 C ATOM 1490 CD ARG A 101 28.490 40.564 -32.943 1.00 13.24 C ATOM 1491 NE ARG A 101 27.096 40.615 -33.388 1.00 14.53 N ATOM 1492 CZ ARG A 101 26.212 41.517 -32.963 1.00 32.32 C ATOM 1493 NH1 ARG A 101 26.591 42.484 -32.136 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 24.955 41.476 -33.387 1.00 52.25 N ATOM 0 H ARG A 101 30.354 40.756 -37.338 1.00 1.22 H new ATOM 0 HA ARG A 101 30.267 41.968 -34.732 1.00 70.42 H new ATOM 0 HB2 ARG A 101 28.610 40.309 -35.584 1.00 70.04 H new ATOM 0 HB3 ARG A 101 29.879 39.109 -35.727 1.00 70.04 H new ATOM 0 HG2 ARG A 101 28.771 38.583 -33.714 1.00 12.41 H new ATOM 0 HG3 ARG A 101 30.253 39.373 -33.214 1.00 12.41 H new ATOM 0 HD2 ARG A 101 28.522 40.325 -31.880 1.00 13.24 H new ATOM 0 HD3 ARG A 101 28.945 41.547 -33.063 1.00 13.24 H new ATOM 0 HE ARG A 101 26.783 39.918 -34.064 1.00 14.53 H new ATOM 0 HH11 ARG A 101 27.561 42.538 -31.825 1.00 20.33 H new ATOM 0 HH12 ARG A 101 25.912 43.173 -31.812 1.00 20.33 H new ATOM 0 HH21 ARG A 101 24.661 40.751 -34.042 1.00 52.25 H new ATOM 0 HH22 ARG A 101 24.283 42.169 -33.058 1.00 52.25 H new ATOM 1508 N LYS A 102 32.737 39.949 -35.501 1.00 25.22 N ATOM 1509 CA LYS A 102 33.920 39.270 -34.981 1.00 51.24 C ATOM 1510 C LYS A 102 35.198 40.054 -35.268 1.00 24.03 C ATOM 1511 O LYS A 102 36.030 40.252 -34.378 1.00 61.52 O ATOM 1512 CB LYS A 102 34.019 37.867 -35.579 1.00 63.24 C ATOM 1513 CG LYS A 102 32.746 37.051 -35.409 1.00 64.00 C ATOM 1514 CD LYS A 102 32.912 35.629 -35.914 1.00 42.35 C ATOM 1515 CE LYS A 102 33.302 35.589 -37.383 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.448 34.195 -37.873 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.600 39.854 -36.507 1.00 25.22 H new ATOM 0 HA LYS A 102 33.814 39.200 -33.898 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.252 37.947 -36.641 1.00 63.24 H new ATOM 0 HB3 LYS A 102 34.848 37.337 -35.110 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.465 37.032 -34.356 1.00 64.00 H new ATOM 0 HG3 LYS A 102 31.931 37.534 -35.947 1.00 64.00 H new ATOM 0 HD2 LYS A 102 33.674 35.121 -35.323 1.00 42.35 H new ATOM 0 HD3 LYS A 102 31.980 35.082 -35.771 1.00 42.35 H new ATOM 0 HE2 LYS A 102 32.546 36.106 -37.975 1.00 32.33 H new ATOM 0 HE3 LYS A 102 34.240 36.125 -37.526 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 33.714 34.206 -38.878 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 34.187 33.710 -37.325 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 32.545 33.691 -37.760 1.00 73.14 H new ATOM 1530 N THR A 103 35.351 40.499 -36.501 1.00 32.11 N ATOM 1531 CA THR A 103 36.535 41.242 -36.903 1.00 65.25 C ATOM 1532 C THR A 103 36.326 42.736 -36.687 1.00 51.12 C ATOM 1533 O THR A 103 37.278 43.489 -36.479 1.00 72.12 O ATOM 1534 CB THR A 103 36.888 40.975 -38.380 1.00 3.51 C ATOM 1535 OG1 THR A 103 35.758 41.254 -39.218 1.00 71.14 O ATOM 1536 CG2 THR A 103 37.323 39.531 -38.578 1.00 15.44 C ATOM 0 H THR A 103 34.668 40.359 -37.246 1.00 32.11 H new ATOM 0 HA THR A 103 37.364 40.902 -36.283 1.00 65.25 H new ATOM 0 HB THR A 103 37.713 41.632 -38.655 1.00 3.51 H new ATOM 0 HG1 THR A 103 35.994 41.082 -40.153 1.00 71.14 H new ATOM 0 HG21 THR A 103 37.567 39.365 -39.627 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.201 39.328 -37.965 1.00 15.44 H new ATOM 0 HG23 THR A 103 36.513 38.863 -38.284 1.00 15.44 H new ATOM 1544 N GLY A 104 35.069 43.156 -36.734 1.00 65.24 N ATOM 1545 CA GLY A 104 34.742 44.550 -36.508 1.00 42.41 C ATOM 1546 C GLY A 104 34.954 45.410 -37.735 1.00 24.42 C ATOM 1547 O GLY A 104 35.082 46.630 -37.632 1.00 13.23 O ATOM 0 H GLY A 104 34.268 42.554 -36.925 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.702 44.627 -36.191 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.353 44.934 -35.691 1.00 42.41 H new ATOM 1551 N GLN A 105 35.013 44.775 -38.896 1.00 51.35 N ATOM 1552 CA GLN A 105 35.102 45.499 -40.155 1.00 72.04 C ATOM 1553 C GLN A 105 33.836 46.311 -40.386 1.00 12.40 C ATOM 1554 O GLN A 105 32.734 45.766 -40.361 1.00 64.30 O ATOM 1555 CB GLN A 105 35.299 44.532 -41.325 1.00 71.44 C ATOM 1556 CG GLN A 105 36.648 43.836 -41.335 1.00 11.23 C ATOM 1557 CD GLN A 105 36.787 42.864 -42.492 1.00 44.43 C ATOM 1558 OE1 GLN A 105 36.176 43.043 -43.547 1.00 42.45 O ATOM 1559 NE2 GLN A 105 37.600 41.838 -42.309 1.00 23.32 N ATOM 0 H GLN A 105 35.001 43.760 -38.992 1.00 51.35 H new ATOM 0 HA GLN A 105 35.961 46.168 -40.098 1.00 72.04 H new ATOM 0 HB2 GLN A 105 34.513 43.777 -41.294 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.178 45.080 -42.259 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.439 44.583 -41.394 1.00 11.23 H new ATOM 0 HG3 GLN A 105 36.785 43.301 -40.395 1.00 11.23 H new ATOM 0 HE21 GLN A 105 38.087 41.726 -41.420 1.00 23.32 H new ATOM 0 HE22 GLN A 105 37.740 41.159 -43.057 1.00 23.32 H new ATOM 1568 N THR A 106 33.990 47.606 -40.592 1.00 25.35 N ATOM 1569 CA THR A 106 32.857 48.450 -40.921 1.00 43.25 C ATOM 1570 C THR A 106 32.723 48.557 -42.434 1.00 44.11 C ATOM 1571 O THR A 106 33.351 49.401 -43.072 1.00 33.22 O ATOM 1572 CB THR A 106 32.988 49.855 -40.301 1.00 61.32 C ATOM 1573 OG1 THR A 106 33.208 49.743 -38.888 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.732 50.679 -40.555 1.00 5.13 C ATOM 0 H THR A 106 34.884 48.094 -40.538 1.00 25.35 H new ATOM 0 HA THR A 106 31.962 47.990 -40.502 1.00 43.25 H new ATOM 0 HB THR A 106 33.835 50.358 -40.767 1.00 61.32 H new ATOM 0 HG1 THR A 106 33.292 50.638 -38.498 1.00 1.35 H new ATOM 0 HG21 THR A 106 31.848 51.666 -40.108 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.576 50.783 -41.629 1.00 5.13 H new ATOM 0 HG23 THR A 106 30.872 50.178 -40.110 1.00 5.13 H new ATOM 1582 N SER A 107 31.937 47.665 -43.007 1.00 30.10 N ATOM 1583 CA SER A 107 31.736 47.641 -44.437 1.00 71.15 C ATOM 1584 C SER A 107 30.573 48.555 -44.805 1.00 42.21 C ATOM 1585 O SER A 107 29.414 48.138 -44.813 1.00 53.14 O ATOM 1586 CB SER A 107 31.480 46.205 -44.911 1.00 62.32 C ATOM 1587 OG SER A 107 31.492 46.113 -46.326 1.00 35.01 O ATOM 0 H SER A 107 31.426 46.945 -42.497 1.00 30.10 H new ATOM 0 HA SER A 107 32.634 48.004 -44.936 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.240 45.543 -44.496 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.517 45.862 -44.532 1.00 62.32 H new ATOM 0 HG SER A 107 31.327 45.185 -46.595 1.00 35.01 H new ATOM 1593 N THR A 108 30.888 49.815 -45.053 1.00 61.34 N ATOM 1594 CA THR A 108 29.883 50.790 -45.425 1.00 45.01 C ATOM 1595 C THR A 108 29.660 50.769 -46.932 1.00 51.14 C ATOM 1596 O THR A 108 30.473 51.283 -47.703 1.00 24.12 O ATOM 1597 CB THR A 108 30.294 52.203 -44.980 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.609 52.201 -43.582 1.00 42.23 O ATOM 1599 CG2 THR A 108 29.177 53.194 -45.240 1.00 12.31 C ATOM 0 H THR A 108 31.837 50.186 -45.002 1.00 61.34 H new ATOM 0 HA THR A 108 28.954 50.525 -44.920 1.00 45.01 H new ATOM 0 HB THR A 108 31.171 52.501 -45.555 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.829 52.500 -43.070 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.489 54.187 -44.918 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.949 53.214 -46.306 1.00 12.31 H new ATOM 0 HG23 THR A 108 28.288 52.895 -44.684 1.00 12.31 H new ATOM 1607 N ILE A 109 28.568 50.151 -47.342 1.00 13.34 N ATOM 1608 CA ILE A 109 28.256 49.995 -48.750 1.00 55.11 C ATOM 1609 C ILE A 109 27.043 50.837 -49.133 1.00 14.15 C ATOM 1610 O ILE A 109 25.915 50.545 -48.727 1.00 1.14 O ATOM 1611 CB ILE A 109 27.976 48.516 -49.097 1.00 61.20 C ATOM 1612 CG1 ILE A 109 29.153 47.630 -48.668 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.702 48.360 -50.587 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.910 46.151 -48.883 1.00 12.41 C ATOM 0 H ILE A 109 27.876 49.745 -46.712 1.00 13.34 H new ATOM 0 HA ILE A 109 29.124 50.335 -49.314 1.00 55.11 H new ATOM 0 HB ILE A 109 27.089 48.196 -48.550 1.00 61.20 H new ATOM 0 HG12 ILE A 109 30.042 47.928 -49.224 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.363 47.805 -47.613 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.507 47.312 -50.813 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.833 48.958 -50.862 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.569 48.698 -51.154 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.784 45.587 -48.557 1.00 12.41 H new ATOM 0 HD12 ILE A 109 28.040 45.837 -48.306 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.730 45.962 -49.941 1.00 12.41 H new ATOM 1626 N GLN A 110 27.277 51.897 -49.892 1.00 42.43 N ATOM 1627 CA GLN A 110 26.185 52.699 -50.420 1.00 3.53 C ATOM 1628 C GLN A 110 25.522 51.991 -51.583 1.00 10.22 C ATOM 1629 O GLN A 110 26.176 51.251 -52.329 1.00 61.10 O ATOM 1630 CB GLN A 110 26.667 54.074 -50.884 1.00 51.25 C ATOM 1631 CG GLN A 110 26.849 55.069 -49.757 1.00 2.41 C ATOM 1632 CD GLN A 110 27.183 56.462 -50.259 1.00 4.14 C ATOM 1633 OE1 GLN A 110 26.731 56.872 -51.330 1.00 23.33 O ATOM 1634 NE2 GLN A 110 27.985 57.194 -49.501 1.00 32.10 N ATOM 0 H GLN A 110 28.208 52.220 -50.155 1.00 42.43 H new ATOM 0 HA GLN A 110 25.467 52.836 -49.611 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.614 53.958 -51.411 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.951 54.477 -51.600 1.00 51.25 H new ATOM 0 HG2 GLN A 110 25.937 55.110 -49.162 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.645 54.724 -49.097 1.00 2.41 H new ATOM 0 HE21 GLN A 110 28.338 56.818 -48.621 1.00 32.10 H new ATOM 0 HE22 GLN A 110 28.250 58.133 -49.797 1.00 32.10 H new ATOM 1643 N VAL A 111 24.224 52.206 -51.717 1.00 22.34 N ATOM 1644 CA VAL A 111 23.471 51.697 -52.848 1.00 74.24 C ATOM 1645 C VAL A 111 24.099 52.176 -54.159 1.00 21.00 C ATOM 1646 O VAL A 111 24.368 53.363 -54.336 1.00 75.11 O ATOM 1647 CB VAL A 111 21.987 52.131 -52.770 1.00 73.33 C ATOM 1648 CG1 VAL A 111 21.856 53.644 -52.638 1.00 13.23 C ATOM 1649 CG2 VAL A 111 21.221 51.635 -53.979 1.00 44.35 C ATOM 0 H VAL A 111 23.666 52.736 -51.048 1.00 22.34 H new ATOM 0 HA VAL A 111 23.505 50.608 -52.817 1.00 74.24 H new ATOM 0 HB VAL A 111 21.557 51.680 -51.876 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.801 53.915 -52.586 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.361 53.975 -51.731 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.312 54.126 -53.503 1.00 13.23 H new ATOM 0 HG21 VAL A 111 20.180 51.950 -53.905 1.00 44.35 H new ATOM 0 HG22 VAL A 111 21.662 52.050 -54.885 1.00 44.35 H new ATOM 0 HG23 VAL A 111 21.268 50.547 -54.018 1.00 44.35 H new ATOM 1659 N SER A 112 24.363 51.240 -55.057 1.00 13.43 N ATOM 1660 CA SER A 112 24.998 51.560 -56.322 1.00 25.44 C ATOM 1661 C SER A 112 23.955 51.672 -57.430 1.00 41.43 C ATOM 1662 O SER A 112 24.110 52.457 -58.366 1.00 54.32 O ATOM 1663 CB SER A 112 26.029 50.485 -56.662 1.00 73.52 C ATOM 1664 OG SER A 112 26.890 50.263 -55.558 1.00 50.04 O ATOM 0 H SER A 112 24.146 50.251 -54.931 1.00 13.43 H new ATOM 0 HA SER A 112 25.503 52.522 -56.235 1.00 25.44 H new ATOM 0 HB2 SER A 112 25.523 49.557 -56.929 1.00 73.52 H new ATOM 0 HB3 SER A 112 26.612 50.792 -57.531 1.00 73.52 H new ATOM 0 HG SER A 112 27.545 49.571 -55.788 1.00 50.04 H new ATOM 1670 N GLY A 113 22.896 50.882 -57.311 1.00 3.12 N ATOM 1671 CA GLY A 113 21.827 50.916 -58.287 1.00 51.54 C ATOM 1672 C GLY A 113 21.476 49.532 -58.779 1.00 51.43 C ATOM 1673 O GLY A 113 21.428 48.579 -57.998 1.00 53.21 O ATOM 0 H GLY A 113 22.759 50.215 -56.551 1.00 3.12 H new ATOM 0 HA2 GLY A 113 20.945 51.380 -57.845 1.00 51.54 H new ATOM 0 HA3 GLY A 113 22.125 51.538 -59.131 1.00 51.54 H new ATOM 1677 N LEU A 114 21.233 49.412 -60.070 1.00 24.32 N ATOM 1678 CA LEU A 114 20.911 48.125 -60.655 1.00 41.32 C ATOM 1679 C LEU A 114 22.139 47.523 -61.323 1.00 21.34 C ATOM 1680 O LEU A 114 22.793 46.645 -60.757 1.00 34.33 O ATOM 1681 CB LEU A 114 19.767 48.265 -61.660 1.00 64.43 C ATOM 1682 CG LEU A 114 18.464 48.823 -61.083 1.00 3.52 C ATOM 1683 CD1 LEU A 114 17.435 49.016 -62.184 1.00 71.24 C ATOM 1684 CD2 LEU A 114 17.918 47.897 -60.005 1.00 25.04 C ATOM 0 H LEU A 114 21.252 50.188 -60.732 1.00 24.32 H new ATOM 0 HA LEU A 114 20.588 47.454 -59.859 1.00 41.32 H new ATOM 0 HB2 LEU A 114 20.094 48.914 -62.472 1.00 64.43 H new ATOM 0 HB3 LEU A 114 19.564 47.287 -62.096 1.00 64.43 H new ATOM 0 HG LEU A 114 18.675 49.792 -60.632 1.00 3.52 H new ATOM 0 HD11 LEU A 114 16.515 49.413 -61.756 1.00 71.24 H new ATOM 0 HD12 LEU A 114 17.822 49.715 -62.925 1.00 71.24 H new ATOM 0 HD13 LEU A 114 17.229 48.058 -62.662 1.00 71.24 H new ATOM 0 HD21 LEU A 114 16.991 48.310 -59.606 1.00 25.04 H new ATOM 0 HD22 LEU A 114 17.722 46.914 -60.434 1.00 25.04 H new ATOM 0 HD23 LEU A 114 18.649 47.803 -59.202 1.00 25.04 H new ATOM 1696 N GLN A 115 22.465 48.034 -62.509 1.00 45.34 N ATOM 1697 CA GLN A 115 23.587 47.539 -63.302 1.00 40.42 C ATOM 1698 C GLN A 115 23.395 46.071 -63.660 1.00 4.04 C ATOM 1699 O GLN A 115 23.962 45.178 -63.025 1.00 53.53 O ATOM 1700 CB GLN A 115 24.919 47.738 -62.574 1.00 34.14 C ATOM 1701 CG GLN A 115 25.297 49.196 -62.380 1.00 25.34 C ATOM 1702 CD GLN A 115 26.624 49.354 -61.668 1.00 62.34 C ATOM 1703 OE1 GLN A 115 26.679 49.455 -60.441 1.00 30.31 O ATOM 1704 NE2 GLN A 115 27.703 49.359 -62.431 1.00 61.02 N ATOM 0 H GLN A 115 21.958 48.803 -62.947 1.00 45.34 H new ATOM 0 HA GLN A 115 23.616 48.121 -64.223 1.00 40.42 H new ATOM 0 HB2 GLN A 115 24.866 47.253 -61.599 1.00 34.14 H new ATOM 0 HB3 GLN A 115 25.708 47.239 -63.136 1.00 34.14 H new ATOM 0 HG2 GLN A 115 25.347 49.689 -63.351 1.00 25.34 H new ATOM 0 HG3 GLN A 115 24.517 49.698 -61.807 1.00 25.34 H new ATOM 0 HE21 GLN A 115 27.612 49.273 -63.443 1.00 61.02 H new ATOM 0 HE22 GLN A 115 28.627 49.449 -62.008 1.00 61.02 H new ATOM 1713 N ASN A 116 22.566 45.829 -64.659 1.00 43.54 N ATOM 1714 CA ASN A 116 22.318 44.480 -65.136 1.00 10.42 C ATOM 1715 C ASN A 116 22.890 44.308 -66.537 1.00 30.14 C ATOM 1716 O ASN A 116 22.694 45.154 -67.414 1.00 42.14 O ATOM 1717 CB ASN A 116 20.816 44.143 -65.118 1.00 13.45 C ATOM 1718 CG ASN A 116 19.956 45.069 -65.973 1.00 41.32 C ATOM 1719 OD1 ASN A 116 20.250 46.256 -66.132 1.00 22.52 O ATOM 1720 ND2 ASN A 116 18.879 44.528 -66.524 1.00 63.44 N ATOM 0 H ASN A 116 22.050 46.553 -65.158 1.00 43.54 H new ATOM 0 HA ASN A 116 22.818 43.785 -64.461 1.00 10.42 H new ATOM 0 HB2 ASN A 116 20.681 43.118 -65.464 1.00 13.45 H new ATOM 0 HB3 ASN A 116 20.459 44.182 -64.089 1.00 13.45 H new ATOM 0 HD21 ASN A 116 18.261 45.098 -67.102 1.00 63.44 H new ATOM 0 HD22 ASN A 116 18.668 43.542 -66.370 1.00 63.44 H new ATOM 1727 N ASN A 117 23.623 43.228 -66.737 1.00 33.24 N ATOM 1728 CA ASN A 117 24.242 42.959 -68.023 1.00 2.33 C ATOM 1729 C ASN A 117 23.341 42.057 -68.851 1.00 51.41 C ATOM 1730 O ASN A 117 23.038 42.360 -70.005 1.00 1.42 O ATOM 1731 CB ASN A 117 25.615 42.308 -67.836 1.00 61.13 C ATOM 1732 CG ASN A 117 26.363 42.147 -69.147 1.00 30.42 C ATOM 1733 OD1 ASN A 117 26.189 43.099 -70.050 1.00 34.24 O flip ATOM 1734 ND2 ASN A 117 27.112 41.187 -69.333 1.00 5.04 N flip ATOM 0 H ASN A 117 23.805 42.521 -66.024 1.00 33.24 H new ATOM 0 HA ASN A 117 24.380 43.904 -68.548 1.00 2.33 H new ATOM 0 HB2 ASN A 117 26.211 42.913 -67.153 1.00 61.13 H new ATOM 0 HB3 ASN A 117 25.490 41.331 -67.370 1.00 61.13 H new ATOM 0 HD21 ASN A 117 27.217 40.475 -68.610 1.00 5.04 H new ATOM 0 HD22 ASN A 117 27.627 41.104 -70.210 1.00 5.04 H new ATOM 1741 N SER A 118 22.915 40.960 -68.232 1.00 14.15 N ATOM 1742 CA SER A 118 21.992 40.008 -68.843 1.00 75.22 C ATOM 1743 C SER A 118 22.617 39.276 -70.034 1.00 42.11 C ATOM 1744 O SER A 118 23.676 39.658 -70.542 1.00 3.43 O ATOM 1745 CB SER A 118 20.700 40.718 -69.258 1.00 22.31 C ATOM 1746 OG SER A 118 20.063 41.303 -68.132 1.00 43.44 O ATOM 0 H SER A 118 23.202 40.705 -67.287 1.00 14.15 H new ATOM 0 HA SER A 118 21.758 39.251 -68.095 1.00 75.22 H new ATOM 0 HB2 SER A 118 20.924 41.488 -69.996 1.00 22.31 H new ATOM 0 HB3 SER A 118 20.025 40.007 -69.734 1.00 22.31 H new ATOM 0 HG SER A 118 19.241 41.753 -68.418 1.00 43.44 H new ATOM 1752 N THR A 119 21.964 38.204 -70.455 1.00 1.13 N ATOM 1753 CA THR A 119 22.426 37.419 -71.584 1.00 11.34 C ATOM 1754 C THR A 119 22.154 38.147 -72.896 1.00 73.20 C ATOM 1755 O THR A 119 21.056 38.663 -73.117 1.00 53.00 O ATOM 1756 CB THR A 119 21.747 36.037 -71.608 1.00 14.15 C ATOM 1757 OG1 THR A 119 20.330 36.184 -71.448 1.00 61.21 O ATOM 1758 CG2 THR A 119 22.290 35.149 -70.504 1.00 31.13 C ATOM 0 H THR A 119 21.106 37.857 -70.026 1.00 1.13 H new ATOM 0 HA THR A 119 23.501 37.280 -71.472 1.00 11.34 H new ATOM 0 HB THR A 119 21.960 35.570 -72.570 1.00 14.15 H new ATOM 0 HG1 THR A 119 19.872 35.812 -72.231 1.00 61.21 H new ATOM 0 HG21 THR A 119 21.795 34.178 -70.541 1.00 31.13 H new ATOM 0 HG22 THR A 119 23.363 35.015 -70.640 1.00 31.13 H new ATOM 0 HG23 THR A 119 22.102 35.615 -69.537 1.00 31.13 H new ATOM 1766 N ASP A 120 23.161 38.199 -73.755 1.00 14.24 N ATOM 1767 CA ASP A 120 23.028 38.864 -75.046 1.00 62.41 C ATOM 1768 C ASP A 120 22.588 37.861 -76.105 1.00 11.22 C ATOM 1769 O ASP A 120 21.903 38.218 -77.068 1.00 34.13 O ATOM 1770 CB ASP A 120 24.353 39.513 -75.451 1.00 21.11 C ATOM 1771 CG ASP A 120 24.263 40.261 -76.765 1.00 5.01 C ATOM 1772 OD1 ASP A 120 23.610 41.324 -76.803 1.00 42.22 O ATOM 1773 OD2 ASP A 120 24.870 39.810 -77.758 1.00 22.14 O1- ATOM 0 H ASP A 120 24.079 37.790 -73.583 1.00 14.24 H new ATOM 0 HA ASP A 120 22.272 39.645 -74.962 1.00 62.41 H new ATOM 0 HB2 ASP A 120 24.670 40.201 -74.667 1.00 21.11 H new ATOM 0 HB3 ASP A 120 25.121 38.743 -75.528 1.00 21.11 H new ATOM 1778 N PHE A 121 22.988 36.603 -75.897 1.00 13.21 N ATOM 1779 CA PHE A 121 22.645 35.484 -76.783 1.00 25.12 C ATOM 1780 C PHE A 121 23.403 35.558 -78.105 1.00 43.12 C ATOM 1781 O PHE A 121 23.680 36.637 -78.627 1.00 24.43 O ATOM 1782 CB PHE A 121 21.137 35.421 -77.073 1.00 11.52 C ATOM 1783 CG PHE A 121 20.280 35.146 -75.869 1.00 23.13 C ATOM 1784 CD1 PHE A 121 19.495 36.149 -75.319 1.00 75.24 C ATOM 1785 CD2 PHE A 121 20.248 33.883 -75.296 1.00 41.35 C ATOM 1786 CE1 PHE A 121 18.693 35.896 -74.222 1.00 60.15 C ATOM 1787 CE2 PHE A 121 19.449 33.626 -74.197 1.00 43.42 C ATOM 1788 CZ PHE A 121 18.671 34.633 -73.659 1.00 30.42 C ATOM 0 H PHE A 121 23.565 36.329 -75.101 1.00 13.21 H new ATOM 0 HA PHE A 121 22.940 34.579 -76.252 1.00 25.12 H new ATOM 0 HB2 PHE A 121 20.826 36.367 -77.516 1.00 11.52 H new ATOM 0 HB3 PHE A 121 20.955 34.645 -77.817 1.00 11.52 H new ATOM 0 HD1 PHE A 121 19.511 37.138 -75.753 1.00 75.24 H new ATOM 0 HD2 PHE A 121 20.854 33.092 -75.713 1.00 41.35 H new ATOM 0 HE1 PHE A 121 18.084 36.684 -73.805 1.00 60.15 H new ATOM 0 HE2 PHE A 121 19.433 32.639 -73.760 1.00 43.42 H new ATOM 0 HZ PHE A 121 18.047 34.434 -72.800 1.00 30.42 H new ATOM 1798 N HIS A 122 23.742 34.398 -78.639 1.00 74.33 N ATOM 1799 CA HIS A 122 24.306 34.307 -79.975 1.00 33.51 C ATOM 1800 C HIS A 122 23.820 33.028 -80.631 1.00 61.51 C ATOM 1801 O HIS A 122 23.704 31.992 -79.975 1.00 44.21 O ATOM 1802 CB HIS A 122 25.844 34.367 -79.953 1.00 14.54 C ATOM 1803 CG HIS A 122 26.520 33.205 -79.281 1.00 14.41 C ATOM 1804 ND1 HIS A 122 26.964 33.244 -77.980 1.00 72.31 N ATOM 1805 CD2 HIS A 122 26.853 31.978 -79.751 1.00 55.51 C ATOM 1806 CE1 HIS A 122 27.543 32.097 -77.678 1.00 74.34 C ATOM 1807 NE2 HIS A 122 27.487 31.310 -78.734 1.00 72.12 N ATOM 0 H HIS A 122 23.636 33.501 -78.165 1.00 74.33 H new ATOM 0 HA HIS A 122 23.969 35.166 -80.556 1.00 33.51 H new ATOM 0 HB2 HIS A 122 26.204 34.432 -80.980 1.00 14.54 H new ATOM 0 HB3 HIS A 122 26.149 35.285 -79.450 1.00 14.54 H new ATOM 0 HD2 HIS A 122 26.656 31.597 -80.742 1.00 55.51 H new ATOM 0 HE1 HIS A 122 27.988 31.846 -76.726 1.00 74.34 H new ATOM 0 HE2 HIS A 122 27.855 30.360 -78.786 1.00 72.12 H new ATOM 1816 N HIS A 123 23.504 33.100 -81.909 1.00 41.22 N ATOM 1817 CA HIS A 123 23.010 31.932 -82.618 1.00 40.20 C ATOM 1818 C HIS A 123 24.174 31.052 -83.025 1.00 14.21 C ATOM 1819 O HIS A 123 25.134 31.519 -83.637 1.00 55.44 O ATOM 1820 CB HIS A 123 22.176 32.331 -83.836 1.00 64.15 C ATOM 1821 CG HIS A 123 20.927 33.075 -83.475 1.00 33.35 C ATOM 1822 ND1 HIS A 123 19.747 32.451 -83.128 1.00 51.31 N ATOM 1823 CD2 HIS A 123 20.688 34.402 -83.379 1.00 23.32 C ATOM 1824 CE1 HIS A 123 18.840 33.363 -82.837 1.00 62.03 C ATOM 1825 NE2 HIS A 123 19.385 34.554 -82.979 1.00 11.12 N ATOM 0 H HIS A 123 23.579 33.945 -82.475 1.00 41.22 H new ATOM 0 HA HIS A 123 22.357 31.371 -81.949 1.00 40.20 H new ATOM 0 HB2 HIS A 123 22.782 32.950 -84.497 1.00 64.15 H new ATOM 0 HB3 HIS A 123 21.909 31.434 -84.395 1.00 64.15 H new ATOM 0 HD2 HIS A 123 21.393 35.195 -83.580 1.00 23.32 H new ATOM 0 HE1 HIS A 123 17.822 33.167 -82.534 1.00 62.03 H new ATOM 0 HE2 HIS A 123 18.914 35.444 -82.818 1.00 11.12 H new ATOM 1834 N HIS A 124 24.087 29.783 -82.666 1.00 75.21 N ATOM 1835 CA HIS A 124 25.182 28.852 -82.882 1.00 61.31 C ATOM 1836 C HIS A 124 25.377 28.563 -84.360 1.00 45.43 C ATOM 1837 O HIS A 124 24.413 28.431 -85.118 1.00 72.22 O ATOM 1838 CB HIS A 124 24.955 27.541 -82.110 1.00 55.11 C ATOM 1839 CG HIS A 124 23.715 26.790 -82.502 1.00 30.43 C ATOM 1840 ND1 HIS A 124 22.549 26.847 -81.776 1.00 72.32 N ATOM 1841 CD2 HIS A 124 23.470 25.949 -83.538 1.00 11.23 C ATOM 1842 CE1 HIS A 124 21.640 26.077 -82.346 1.00 60.11 C ATOM 1843 NE2 HIS A 124 22.173 25.517 -83.416 1.00 42.31 N ATOM 0 H HIS A 124 23.266 29.372 -82.222 1.00 75.21 H new ATOM 0 HA HIS A 124 26.089 29.324 -82.503 1.00 61.31 H new ATOM 0 HB2 HIS A 124 25.819 26.893 -82.259 1.00 55.11 H new ATOM 0 HB3 HIS A 124 24.906 27.766 -81.045 1.00 55.11 H new ATOM 0 HD2 HIS A 124 24.167 25.671 -84.315 1.00 11.23 H new ATOM 0 HE1 HIS A 124 20.629 25.930 -81.995 1.00 60.11 H new ATOM 0 HE2 HIS A 124 21.700 24.871 -84.047 1.00 42.31 H new ATOM 1852 N HIS A 125 26.628 28.493 -84.767 1.00 33.11 N ATOM 1853 CA HIS A 125 26.963 28.058 -86.108 1.00 42.42 C ATOM 1854 C HIS A 125 27.081 26.544 -86.121 1.00 12.25 C ATOM 1855 O HIS A 125 27.351 25.928 -85.086 1.00 65.23 O ATOM 1856 CB HIS A 125 28.280 28.681 -86.586 1.00 11.44 C ATOM 1857 CG HIS A 125 28.307 30.178 -86.540 1.00 60.43 C ATOM 1858 ND1 HIS A 125 29.373 30.893 -86.041 1.00 71.41 N ATOM 1859 CD2 HIS A 125 27.395 31.097 -86.939 1.00 3.32 C ATOM 1860 CE1 HIS A 125 29.118 32.185 -86.132 1.00 54.41 C ATOM 1861 NE2 HIS A 125 27.925 32.335 -86.674 1.00 54.24 N ATOM 0 H HIS A 125 27.432 28.732 -84.187 1.00 33.11 H new ATOM 0 HA HIS A 125 26.173 28.383 -86.785 1.00 42.42 H new ATOM 0 HB2 HIS A 125 29.094 28.296 -85.972 1.00 11.44 H new ATOM 0 HB3 HIS A 125 28.471 28.357 -87.609 1.00 11.44 H new ATOM 0 HD2 HIS A 125 26.431 30.894 -87.382 1.00 3.32 H new ATOM 0 HE1 HIS A 125 29.774 32.983 -85.817 1.00 54.41 H new ATOM 0 HE2 HIS A 125 27.470 33.227 -86.865 1.00 54.24 H new ATOM 1870 N HIS A 126 26.858 25.938 -87.269 1.00 22.41 N ATOM 1871 CA HIS A 126 27.037 24.507 -87.400 1.00 73.13 C ATOM 1872 C HIS A 126 28.473 24.239 -87.818 1.00 14.44 C ATOM 1873 O HIS A 126 28.950 24.834 -88.781 1.00 61.23 O ATOM 1874 CB HIS A 126 26.054 23.928 -88.420 1.00 23.41 C ATOM 1875 CG HIS A 126 25.724 22.487 -88.185 1.00 43.53 C ATOM 1876 ND1 HIS A 126 24.742 21.824 -88.882 1.00 63.22 N ATOM 1877 CD2 HIS A 126 26.230 21.590 -87.308 1.00 54.42 C ATOM 1878 CE1 HIS A 126 24.654 20.583 -88.445 1.00 42.22 C ATOM 1879 NE2 HIS A 126 25.547 20.412 -87.485 1.00 15.42 N ATOM 0 H HIS A 126 26.554 26.411 -88.120 1.00 22.41 H new ATOM 0 HA HIS A 126 26.836 24.021 -86.445 1.00 73.13 H new ATOM 0 HB2 HIS A 126 25.133 24.511 -88.396 1.00 23.41 H new ATOM 0 HB3 HIS A 126 26.475 24.037 -89.420 1.00 23.41 H new ATOM 0 HD2 HIS A 126 27.025 21.768 -86.599 1.00 54.42 H new ATOM 0 HE1 HIS A 126 23.968 19.833 -88.810 1.00 42.22 H new ATOM 0 HE2 HIS A 126 25.702 19.549 -86.963 1.00 15.42 H new ATOM 1888 N HIS A 127 29.147 23.362 -87.079 1.00 12.35 N ATOM 1889 CA HIS A 127 30.579 23.115 -87.252 1.00 31.34 C ATOM 1890 C HIS A 127 31.373 24.311 -86.748 1.00 12.31 C ATOM 1891 O HIS A 127 31.595 24.393 -85.519 1.00 54.42 O ATOM 1892 CB HIS A 127 30.952 22.798 -88.710 1.00 12.42 C ATOM 1893 CG HIS A 127 30.586 21.415 -89.144 1.00 22.42 C ATOM 1894 ND1 HIS A 127 29.527 21.145 -89.978 1.00 5.05 N ATOM 1895 CD2 HIS A 127 31.160 20.218 -88.869 1.00 4.12 C ATOM 1896 CE1 HIS A 127 29.459 19.846 -90.196 1.00 42.13 C ATOM 1897 NE2 HIS A 127 30.441 19.257 -89.537 1.00 54.43 N ATOM 1898 OXT HIS A 127 31.764 25.166 -87.566 1.00 0.00 O1- ATOM 0 H HIS A 127 28.718 22.802 -86.343 1.00 12.35 H new ATOM 0 HA HIS A 127 30.831 22.232 -86.664 1.00 31.34 H new ATOM 0 HB2 HIS A 127 30.458 23.516 -89.365 1.00 12.42 H new ATOM 0 HB3 HIS A 127 32.026 22.936 -88.838 1.00 12.42 H new ATOM 0 HD2 HIS A 127 32.023 20.051 -88.241 1.00 4.12 H new ATOM 0 HE1 HIS A 127 28.724 19.347 -90.810 1.00 42.13 H new ATOM 0 HE2 HIS A 127 30.633 18.255 -89.526 1.00 54.43 H new TER 1907 HIS A 127