USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 810 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 94 ASN : amide:sc= -1.79 K(o=-3,f=-11!) USER MOD Set 1.2: A 97 THR OG1 : rot -175:sc= -1.22 USER MOD Set 2.1: A 24 SER OG : rot -119:sc= 1.06 USER MOD Set 2.2: A 28 TYR OH : rot 80:sc= 1.13 USER MOD Set 2.3: A 81 ASN : amide:sc= -2.26! C(o=2.2!,f=-4.7!) USER MOD Set 2.4: A 83 TYR OH : rot -151:sc= 2.25 USER MOD Set 2.5: A 89 TYR OH : rot -174:sc= -1.55! USER MOD Set 2.6: A 92 THR OG1 : rot -60:sc= 1.54 USER MOD Set 3.1: A 20 GLN : amide:sc= -0.606 X(o=0.6,f=0.11) USER MOD Set 3.2: A 88 THR OG1 : rot 53:sc= 1.2 USER MOD Set 4.1: A 79 TYR OH : rot -58:sc= 0.818 USER MOD Set 4.2: A 113 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 75 ASN : amide:sc= -2.14 K(o=-3.2,f=-0.92) USER MOD Set 5.2: A 77 ASN : amide:sc= -1.04 X(o=-3.2,f=-3.4!) USER MOD Set 6.1: A 29 ASN : amide:sc= -16.1! C(o=-20!,f=-21!) USER MOD Set 6.2: A 72 ASN : amide:sc= -4.16! C(o=-20!,f=-22!) USER MOD Set 7.1: A 9 ASN : amide:sc= -2.72 X(o=-1.6,f=-1.4!) USER MOD Set 7.2: A 66 TYR OH : rot 26:sc= 1.13 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.106 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 162:sc= -0.122 (180deg=-0.549) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 49:sc= 0.108 USER MOD Single : A 10 MET CE :methyl -115:sc= -1.05 (180deg=-5.53!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.182 USER MOD Single : A 14 SER OG : rot 170:sc= 0.00213 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.325 K(o=-0.33,f=-1.2) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 59:sc= 1.35 USER MOD Single : A 37 ASN : amide:sc= -5.26! K(o=-5.3!,f=-0.4) USER MOD Single : A 38 ASN : amide:sc= 0.937 K(o=0.94,f=-3.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0614 USER MOD Single : A 50 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.0093) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -86:sc= -4.74! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0478 K(o=-0.048,f=-1.2!) USER MOD Single : A 80 TYR OH : rot 56:sc= -1.14! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -139:sc= -3.9! USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.32) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.905 5.340 -16.317 1.00 9.37 N ATOM 2 CA GLY A 1 -21.649 4.920 -15.109 1.00 8.59 C ATOM 3 C GLY A 1 -20.762 4.174 -14.138 1.00 7.91 C ATOM 4 O GLY A 1 -19.650 3.783 -14.494 1.00 8.10 O ATOM 0 H1 GLY A 1 -20.907 6.378 -16.383 1.00 9.37 H new ATOM 0 H2 GLY A 1 -19.924 4.999 -16.257 1.00 9.37 H new ATOM 0 H3 GLY A 1 -21.360 4.938 -17.162 1.00 9.37 H new ATOM 0 HA2 GLY A 1 -22.070 5.797 -14.617 1.00 8.59 H new ATOM 0 HA3 GLY A 1 -22.486 4.285 -15.399 1.00 8.59 H new ATOM 10 N HIS A 2 -21.253 3.976 -12.915 1.00 7.42 N ATOM 11 CA HIS A 2 -20.503 3.273 -11.873 1.00 7.06 C ATOM 12 C HIS A 2 -19.175 3.968 -11.602 1.00 6.29 C ATOM 13 O HIS A 2 -18.106 3.431 -11.901 1.00 6.27 O ATOM 14 CB HIS A 2 -20.247 1.808 -12.255 1.00 7.61 C ATOM 15 CG HIS A 2 -21.489 0.998 -12.452 1.00 7.99 C ATOM 16 ND1 HIS A 2 -22.184 0.416 -11.415 1.00 8.53 N ATOM 17 CD2 HIS A 2 -22.159 0.673 -13.580 1.00 8.23 C ATOM 18 CE1 HIS A 2 -23.227 -0.232 -11.898 1.00 9.04 C ATOM 19 NE2 HIS A 2 -23.234 -0.092 -13.208 1.00 8.89 N ATOM 0 H HIS A 2 -22.175 4.296 -12.619 1.00 7.42 H new ATOM 0 HA HIS A 2 -21.111 3.293 -10.969 1.00 7.06 H new ATOM 0 HB2 HIS A 2 -19.660 1.781 -13.173 1.00 7.61 H new ATOM 0 HB3 HIS A 2 -19.643 1.342 -11.477 1.00 7.61 H new ATOM 0 HD2 HIS A 2 -21.896 0.962 -14.587 1.00 8.23 H new ATOM 0 HE1 HIS A 2 -23.952 -0.784 -11.318 1.00 9.04 H new ATOM 0 HE2 HIS A 2 -23.927 -0.489 -13.843 1.00 8.89 H new ATOM 28 N MET A 3 -19.243 5.169 -11.050 1.00 6.00 N ATOM 29 CA MET A 3 -18.042 5.926 -10.738 1.00 5.58 C ATOM 30 C MET A 3 -17.435 5.420 -9.439 1.00 4.91 C ATOM 31 O MET A 3 -18.083 5.439 -8.391 1.00 5.15 O ATOM 32 CB MET A 3 -18.358 7.419 -10.630 1.00 6.12 C ATOM 33 CG MET A 3 -17.135 8.289 -10.385 1.00 6.74 C ATOM 34 SD MET A 3 -15.909 8.163 -11.703 1.00 7.54 S ATOM 35 CE MET A 3 -16.860 8.723 -13.116 1.00 8.13 C ATOM 0 H MET A 3 -20.115 5.640 -10.809 1.00 6.00 H new ATOM 0 HA MET A 3 -17.322 5.787 -11.545 1.00 5.58 H new ATOM 0 HB2 MET A 3 -18.846 7.745 -11.549 1.00 6.12 H new ATOM 0 HB3 MET A 3 -19.070 7.572 -9.819 1.00 6.12 H new ATOM 0 HG2 MET A 3 -17.449 9.328 -10.285 1.00 6.74 H new ATOM 0 HG3 MET A 3 -16.675 8.003 -9.439 1.00 6.74 H new ATOM 0 HE1 MET A 3 -16.182 9.006 -13.922 1.00 8.13 H new ATOM 0 HE2 MET A 3 -17.513 7.920 -13.456 1.00 8.13 H new ATOM 0 HE3 MET A 3 -17.463 9.585 -12.830 1.00 8.13 H new ATOM 45 N SER A 4 -16.204 4.946 -9.516 1.00 4.47 N ATOM 46 CA SER A 4 -15.509 4.439 -8.349 1.00 4.12 C ATOM 47 C SER A 4 -15.195 5.589 -7.393 1.00 2.93 C ATOM 48 O SER A 4 -14.493 6.540 -7.755 1.00 3.19 O ATOM 49 CB SER A 4 -14.227 3.717 -8.778 1.00 5.00 C ATOM 50 OG SER A 4 -13.619 3.042 -7.688 1.00 5.76 O ATOM 0 H SER A 4 -15.664 4.902 -10.380 1.00 4.47 H new ATOM 0 HA SER A 4 -16.146 3.724 -7.829 1.00 4.12 H new ATOM 0 HB2 SER A 4 -14.458 3.001 -9.567 1.00 5.00 H new ATOM 0 HB3 SER A 4 -13.525 4.438 -9.197 1.00 5.00 H new ATOM 0 HG SER A 4 -12.805 2.591 -7.996 1.00 5.76 H new ATOM 56 N ARG A 5 -15.740 5.509 -6.182 1.00 2.17 N ATOM 57 CA ARG A 5 -15.566 6.565 -5.192 1.00 1.45 C ATOM 58 C ARG A 5 -14.106 6.687 -4.772 1.00 1.37 C ATOM 59 O ARG A 5 -13.399 5.687 -4.632 1.00 2.25 O ATOM 60 CB ARG A 5 -16.456 6.325 -3.969 1.00 2.10 C ATOM 61 CG ARG A 5 -16.219 4.995 -3.273 1.00 2.57 C ATOM 62 CD ARG A 5 -16.940 4.936 -1.938 1.00 3.37 C ATOM 63 NE ARG A 5 -18.376 5.172 -2.075 1.00 3.96 N ATOM 64 CZ ARG A 5 -19.111 5.844 -1.189 1.00 4.93 C ATOM 65 NH1 ARG A 5 -18.535 6.409 -0.132 1.00 5.41 N1+ ATOM 66 NH2 ARG A 5 -20.420 5.971 -1.374 1.00 5.73 N ATOM 0 H ARG A 5 -16.306 4.723 -5.864 1.00 2.17 H new ATOM 0 HA ARG A 5 -15.868 7.504 -5.655 1.00 1.45 H new ATOM 0 HB2 ARG A 5 -16.294 7.130 -3.253 1.00 2.10 H new ATOM 0 HB3 ARG A 5 -17.500 6.379 -4.278 1.00 2.10 H new ATOM 0 HG2 ARG A 5 -16.564 4.181 -3.911 1.00 2.57 H new ATOM 0 HG3 ARG A 5 -15.150 4.848 -3.118 1.00 2.57 H new ATOM 0 HD2 ARG A 5 -16.776 3.960 -1.481 1.00 3.37 H new ATOM 0 HD3 ARG A 5 -16.514 5.679 -1.264 1.00 3.37 H new ATOM 0 HE ARG A 5 -18.845 4.799 -2.900 1.00 3.96 H new ATOM 0 HH11 ARG A 5 -17.527 6.329 0.003 1.00 5.41 H new ATOM 0 HH12 ARG A 5 -19.101 6.922 0.544 1.00 5.41 H new ATOM 0 HH21 ARG A 5 -20.862 5.554 -2.193 1.00 5.73 H new ATOM 0 HH22 ARG A 5 -20.983 6.485 -0.697 1.00 5.73 H new ATOM 80 N SER A 6 -13.660 7.917 -4.579 1.00 0.64 N ATOM 81 CA SER A 6 -12.280 8.179 -4.230 1.00 0.52 C ATOM 82 C SER A 6 -12.122 8.327 -2.726 1.00 0.51 C ATOM 83 O SER A 6 -12.197 9.423 -2.168 1.00 0.73 O ATOM 84 CB SER A 6 -11.782 9.420 -4.975 1.00 0.63 C ATOM 85 OG SER A 6 -12.688 10.504 -4.842 1.00 1.52 O ATOM 0 H SER A 6 -14.240 8.752 -4.659 1.00 0.64 H new ATOM 0 HA SER A 6 -11.668 7.330 -4.536 1.00 0.52 H new ATOM 0 HB2 SER A 6 -10.805 9.711 -4.588 1.00 0.63 H new ATOM 0 HB3 SER A 6 -11.649 9.183 -6.031 1.00 0.63 H new ATOM 0 HG SER A 6 -12.923 10.620 -3.898 1.00 1.52 H new ATOM 91 N GLU A 7 -11.920 7.196 -2.080 1.00 0.54 N ATOM 92 CA GLU A 7 -11.792 7.138 -0.641 1.00 0.53 C ATOM 93 C GLU A 7 -10.344 7.302 -0.189 1.00 0.44 C ATOM 94 O GLU A 7 -10.016 8.266 0.500 1.00 0.55 O ATOM 95 CB GLU A 7 -12.348 5.819 -0.162 1.00 0.56 C ATOM 96 CG GLU A 7 -13.837 5.714 -0.386 1.00 0.73 C ATOM 97 CD GLU A 7 -14.630 6.701 0.445 1.00 1.22 C ATOM 98 OE1 GLU A 7 -15.560 7.327 -0.102 1.00 2.01 O ATOM 99 OE2 GLU A 7 -14.329 6.858 1.646 1.00 1.37 O1- ATOM 0 H GLU A 7 -11.840 6.290 -2.541 1.00 0.54 H new ATOM 0 HA GLU A 7 -12.353 7.965 -0.206 1.00 0.53 H new ATOM 0 HB2 GLU A 7 -11.845 5.004 -0.683 1.00 0.56 H new ATOM 0 HB3 GLU A 7 -12.133 5.700 0.900 1.00 0.56 H new ATOM 0 HG2 GLU A 7 -14.053 5.880 -1.441 1.00 0.73 H new ATOM 0 HG3 GLU A 7 -14.164 4.702 -0.149 1.00 0.73 H new ATOM 106 N VAL A 8 -9.482 6.373 -0.610 1.00 0.30 N ATOM 107 CA VAL A 8 -8.086 6.331 -0.182 1.00 0.24 C ATOM 108 C VAL A 8 -7.959 6.228 1.342 1.00 0.19 C ATOM 109 O VAL A 8 -7.898 7.237 2.048 1.00 0.28 O ATOM 110 CB VAL A 8 -7.284 7.553 -0.664 1.00 0.32 C ATOM 111 CG1 VAL A 8 -5.819 7.423 -0.271 1.00 0.31 C ATOM 112 CG2 VAL A 8 -7.424 7.738 -2.168 1.00 0.45 C ATOM 0 H VAL A 8 -9.736 5.628 -1.259 1.00 0.30 H new ATOM 0 HA VAL A 8 -7.669 5.435 -0.642 1.00 0.24 H new ATOM 0 HB VAL A 8 -7.692 8.439 -0.177 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -5.269 8.297 -0.621 1.00 0.31 H new ATOM 0 HG12 VAL A 8 -5.738 7.354 0.814 1.00 0.31 H new ATOM 0 HG13 VAL A 8 -5.399 6.525 -0.724 1.00 0.31 H new ATOM 0 HG21 VAL A 8 -6.848 8.608 -2.483 1.00 0.45 H new ATOM 0 HG22 VAL A 8 -7.051 6.851 -2.680 1.00 0.45 H new ATOM 0 HG23 VAL A 8 -8.474 7.888 -2.420 1.00 0.45 H new ATOM 122 N ASN A 9 -7.918 5.005 1.835 1.00 0.15 N ATOM 123 CA ASN A 9 -7.741 4.746 3.260 1.00 0.22 C ATOM 124 C ASN A 9 -7.046 3.403 3.477 1.00 0.16 C ATOM 125 O ASN A 9 -6.633 2.764 2.513 1.00 0.15 O ATOM 126 CB ASN A 9 -9.086 4.815 3.997 1.00 0.41 C ATOM 127 CG ASN A 9 -10.233 4.140 3.263 1.00 0.42 C ATOM 128 OD1 ASN A 9 -10.890 4.755 2.421 1.00 1.41 O ATOM 129 ND2 ASN A 9 -10.520 2.898 3.601 1.00 0.96 N ATOM 0 H ASN A 9 -8.006 4.163 1.266 1.00 0.15 H new ATOM 0 HA ASN A 9 -7.100 5.522 3.679 1.00 0.22 H new ATOM 0 HB2 ASN A 9 -8.975 4.352 4.978 1.00 0.41 H new ATOM 0 HB3 ASN A 9 -9.342 5.861 4.165 1.00 0.41 H new ATOM 0 HD21 ASN A 9 -11.306 2.418 3.162 1.00 0.96 H new ATOM 0 HD22 ASN A 9 -9.956 2.417 4.302 1.00 0.96 H new ATOM 136 N MET A 10 -6.889 2.987 4.734 1.00 0.15 N ATOM 137 CA MET A 10 -6.187 1.731 5.049 1.00 0.12 C ATOM 138 C MET A 10 -7.159 0.553 5.105 1.00 0.08 C ATOM 139 O MET A 10 -6.780 -0.614 5.071 1.00 0.09 O ATOM 140 CB MET A 10 -5.425 1.878 6.354 1.00 0.18 C ATOM 141 CG MET A 10 -4.451 3.040 6.329 1.00 0.39 C ATOM 142 SD MET A 10 -3.131 2.824 5.138 1.00 0.89 S ATOM 143 CE MET A 10 -2.361 4.427 5.200 1.00 0.24 C ATOM 0 H MET A 10 -7.234 3.494 5.549 1.00 0.15 H new ATOM 0 HA MET A 10 -5.473 1.522 4.252 1.00 0.12 H new ATOM 0 HB2 MET A 10 -6.133 2.019 7.171 1.00 0.18 H new ATOM 0 HB3 MET A 10 -4.881 0.956 6.559 1.00 0.18 H new ATOM 0 HG2 MET A 10 -4.994 3.957 6.099 1.00 0.39 H new ATOM 0 HG3 MET A 10 -4.019 3.166 7.322 1.00 0.39 H new ATOM 0 HE1 MET A 10 -2.478 4.924 4.237 1.00 0.24 H new ATOM 0 HE2 MET A 10 -2.833 5.027 5.978 1.00 0.24 H new ATOM 0 HE3 MET A 10 -1.300 4.313 5.423 1.00 0.24 H new ATOM 153 N GLY A 11 -8.402 0.935 5.221 1.00 0.10 N ATOM 154 CA GLY A 11 -9.590 0.089 5.082 1.00 0.10 C ATOM 155 C GLY A 11 -9.843 -0.900 6.205 1.00 0.08 C ATOM 156 O GLY A 11 -10.996 -1.086 6.604 1.00 0.10 O ATOM 0 H GLY A 11 -8.643 1.904 5.428 1.00 0.10 H new ATOM 0 HA2 GLY A 11 -10.463 0.736 4.992 1.00 0.10 H new ATOM 0 HA3 GLY A 11 -9.508 -0.467 4.148 1.00 0.10 H new ATOM 160 N LEU A 12 -8.804 -1.496 6.749 1.00 0.07 N ATOM 161 CA LEU A 12 -8.912 -2.256 7.970 1.00 0.07 C ATOM 162 C LEU A 12 -7.950 -1.705 8.995 1.00 0.08 C ATOM 163 O LEU A 12 -7.128 -0.837 8.696 1.00 0.09 O ATOM 164 CB LEU A 12 -8.665 -3.742 7.733 1.00 0.08 C ATOM 165 CG LEU A 12 -9.590 -4.432 6.722 1.00 0.08 C ATOM 166 CD1 LEU A 12 -9.234 -5.898 6.613 1.00 0.09 C ATOM 167 CD2 LEU A 12 -11.059 -4.291 7.087 1.00 0.11 C ATOM 0 H LEU A 12 -7.863 -1.466 6.356 1.00 0.07 H new ATOM 0 HA LEU A 12 -9.930 -2.160 8.347 1.00 0.07 H new ATOM 0 HB2 LEU A 12 -7.636 -3.868 7.397 1.00 0.08 H new ATOM 0 HB3 LEU A 12 -8.754 -4.260 8.688 1.00 0.08 H new ATOM 0 HG LEU A 12 -9.441 -3.937 5.762 1.00 0.08 H new ATOM 0 HD11 LEU A 12 -9.895 -6.380 5.893 1.00 0.09 H new ATOM 0 HD12 LEU A 12 -8.201 -5.998 6.280 1.00 0.09 H new ATOM 0 HD13 LEU A 12 -9.349 -6.374 7.587 1.00 0.09 H new ATOM 0 HD21 LEU A 12 -11.670 -4.797 6.339 1.00 0.11 H new ATOM 0 HD22 LEU A 12 -11.236 -4.740 8.064 1.00 0.11 H new ATOM 0 HD23 LEU A 12 -11.326 -3.235 7.119 1.00 0.11 H new ATOM 179 N SER A 13 -8.059 -2.210 10.193 1.00 0.10 N ATOM 180 CA SER A 13 -7.159 -1.846 11.259 1.00 0.12 C ATOM 181 C SER A 13 -6.047 -2.881 11.385 1.00 0.13 C ATOM 182 O SER A 13 -6.306 -4.058 11.637 1.00 0.16 O ATOM 183 CB SER A 13 -7.957 -1.724 12.552 1.00 0.15 C ATOM 184 OG SER A 13 -7.142 -1.895 13.699 1.00 1.20 O ATOM 0 H SER A 13 -8.774 -2.886 10.461 1.00 0.10 H new ATOM 0 HA SER A 13 -6.688 -0.887 11.043 1.00 0.12 H new ATOM 0 HB2 SER A 13 -8.436 -0.746 12.591 1.00 0.15 H new ATOM 0 HB3 SER A 13 -8.752 -2.469 12.558 1.00 0.15 H new ATOM 0 HG SER A 13 -7.691 -1.808 14.506 1.00 1.20 H new ATOM 190 N SER A 14 -4.811 -2.441 11.195 1.00 0.13 N ATOM 191 CA SER A 14 -3.657 -3.319 11.323 1.00 0.14 C ATOM 192 C SER A 14 -3.229 -3.425 12.785 1.00 0.17 C ATOM 193 O SER A 14 -2.097 -3.798 13.097 1.00 0.19 O ATOM 194 CB SER A 14 -2.501 -2.805 10.463 1.00 0.16 C ATOM 195 OG SER A 14 -2.207 -1.449 10.754 1.00 0.20 O ATOM 0 H SER A 14 -4.582 -1.478 10.951 1.00 0.13 H new ATOM 0 HA SER A 14 -3.935 -4.313 10.972 1.00 0.14 H new ATOM 0 HB2 SER A 14 -1.616 -3.417 10.636 1.00 0.16 H new ATOM 0 HB3 SER A 14 -2.757 -2.906 9.408 1.00 0.16 H new ATOM 0 HG SER A 14 -1.370 -1.194 10.313 1.00 0.20 H new ATOM 201 N ALA A 15 -4.147 -3.102 13.677 1.00 0.21 N ATOM 202 CA ALA A 15 -3.886 -3.165 15.097 1.00 0.26 C ATOM 203 C ALA A 15 -4.164 -4.564 15.628 1.00 0.28 C ATOM 204 O ALA A 15 -5.317 -4.979 15.734 1.00 0.35 O ATOM 205 CB ALA A 15 -4.733 -2.132 15.817 1.00 0.32 C ATOM 0 H ALA A 15 -5.088 -2.791 13.436 1.00 0.21 H new ATOM 0 HA ALA A 15 -2.835 -2.943 15.279 1.00 0.26 H new ATOM 0 HB1 ALA A 15 -4.535 -2.181 16.888 1.00 0.32 H new ATOM 0 HB2 ALA A 15 -4.485 -1.137 15.447 1.00 0.32 H new ATOM 0 HB3 ALA A 15 -5.788 -2.335 15.634 1.00 0.32 H new ATOM 211 N GLY A 16 -3.103 -5.298 15.930 1.00 0.27 N ATOM 212 CA GLY A 16 -3.253 -6.645 16.443 1.00 0.31 C ATOM 213 C GLY A 16 -3.146 -7.689 15.349 1.00 0.26 C ATOM 214 O GLY A 16 -2.988 -8.878 15.627 1.00 0.31 O ATOM 0 H GLY A 16 -2.138 -4.984 15.829 1.00 0.27 H new ATOM 0 HA2 GLY A 16 -2.489 -6.832 17.197 1.00 0.31 H new ATOM 0 HA3 GLY A 16 -4.219 -6.738 16.938 1.00 0.31 H new ATOM 218 N VAL A 17 -3.225 -7.234 14.107 1.00 0.19 N ATOM 219 CA VAL A 17 -3.148 -8.107 12.955 1.00 0.15 C ATOM 220 C VAL A 17 -1.762 -8.688 12.798 1.00 0.15 C ATOM 221 O VAL A 17 -0.756 -8.062 13.144 1.00 0.18 O ATOM 222 CB VAL A 17 -3.530 -7.355 11.665 1.00 0.12 C ATOM 223 CG1 VAL A 17 -2.497 -6.305 11.327 1.00 0.12 C ATOM 224 CG2 VAL A 17 -3.682 -8.316 10.512 1.00 0.11 C ATOM 0 H VAL A 17 -3.344 -6.248 13.874 1.00 0.19 H new ATOM 0 HA VAL A 17 -3.856 -8.919 13.122 1.00 0.15 H new ATOM 0 HB VAL A 17 -4.486 -6.860 11.839 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.789 -5.788 10.413 1.00 0.12 H new ATOM 0 HG12 VAL A 17 -2.428 -5.586 12.144 1.00 0.12 H new ATOM 0 HG13 VAL A 17 -1.528 -6.782 11.180 1.00 0.12 H new ATOM 0 HG21 VAL A 17 -3.952 -7.764 9.612 1.00 0.11 H new ATOM 0 HG22 VAL A 17 -2.740 -8.840 10.348 1.00 0.11 H new ATOM 0 HG23 VAL A 17 -4.464 -9.040 10.742 1.00 0.11 H new ATOM 234 N ALA A 18 -1.721 -9.896 12.282 1.00 0.14 N ATOM 235 CA ALA A 18 -0.468 -10.532 11.999 1.00 0.14 C ATOM 236 C ALA A 18 -0.011 -10.171 10.600 1.00 0.13 C ATOM 237 O ALA A 18 -0.023 -10.989 9.678 1.00 0.13 O ATOM 238 CB ALA A 18 -0.612 -12.028 12.170 1.00 0.16 C ATOM 0 H ALA A 18 -2.545 -10.452 12.052 1.00 0.14 H new ATOM 0 HA ALA A 18 0.293 -10.182 12.697 1.00 0.14 H new ATOM 0 HB1 ALA A 18 0.341 -12.512 11.955 1.00 0.16 H new ATOM 0 HB2 ALA A 18 -0.909 -12.250 13.195 1.00 0.16 H new ATOM 0 HB3 ALA A 18 -1.372 -12.401 11.483 1.00 0.16 H new ATOM 244 N VAL A 19 0.447 -8.947 10.476 1.00 0.12 N ATOM 245 CA VAL A 19 0.831 -8.388 9.191 1.00 0.11 C ATOM 246 C VAL A 19 2.275 -8.681 8.844 1.00 0.11 C ATOM 247 O VAL A 19 3.171 -8.582 9.686 1.00 0.12 O ATOM 248 CB VAL A 19 0.545 -6.869 9.140 1.00 0.11 C ATOM 249 CG1 VAL A 19 0.839 -6.233 10.475 1.00 0.12 C ATOM 250 CG2 VAL A 19 1.348 -6.190 8.048 1.00 0.11 C ATOM 0 H VAL A 19 0.566 -8.306 11.261 1.00 0.12 H new ATOM 0 HA VAL A 19 0.218 -8.879 8.435 1.00 0.11 H new ATOM 0 HB VAL A 19 -0.512 -6.738 8.910 1.00 0.11 H new ATOM 0 HG11 VAL A 19 0.633 -5.164 10.422 1.00 0.12 H new ATOM 0 HG12 VAL A 19 0.210 -6.687 11.241 1.00 0.12 H new ATOM 0 HG13 VAL A 19 1.888 -6.388 10.729 1.00 0.12 H new ATOM 0 HG21 VAL A 19 1.123 -5.124 8.040 1.00 0.11 H new ATOM 0 HG22 VAL A 19 2.412 -6.335 8.235 1.00 0.11 H new ATOM 0 HG23 VAL A 19 1.087 -6.623 7.082 1.00 0.11 H new ATOM 260 N GLN A 20 2.489 -9.054 7.589 1.00 0.09 N ATOM 261 CA GLN A 20 3.808 -9.382 7.127 1.00 0.10 C ATOM 262 C GLN A 20 4.519 -8.134 6.658 1.00 0.10 C ATOM 263 O GLN A 20 4.336 -7.686 5.533 1.00 0.11 O ATOM 264 CB GLN A 20 3.722 -10.383 5.986 1.00 0.11 C ATOM 265 CG GLN A 20 2.804 -11.552 6.275 1.00 0.13 C ATOM 266 CD GLN A 20 2.922 -12.650 5.248 1.00 0.24 C ATOM 267 OE1 GLN A 20 3.982 -12.856 4.658 1.00 0.66 O ATOM 268 NE2 GLN A 20 1.838 -13.365 5.033 1.00 0.48 N ATOM 0 H GLN A 20 1.758 -9.133 6.882 1.00 0.09 H new ATOM 0 HA GLN A 20 4.370 -9.823 7.950 1.00 0.10 H new ATOM 0 HB2 GLN A 20 3.373 -9.871 5.089 1.00 0.11 H new ATOM 0 HB3 GLN A 20 4.721 -10.761 5.769 1.00 0.11 H new ATOM 0 HG2 GLN A 20 3.035 -11.955 7.261 1.00 0.13 H new ATOM 0 HG3 GLN A 20 1.773 -11.200 6.308 1.00 0.13 H new ATOM 0 HE21 GLN A 20 0.981 -13.158 5.546 1.00 0.48 H new ATOM 0 HE22 GLN A 20 1.855 -14.126 4.354 1.00 0.48 H new ATOM 277 N ARG A 21 5.385 -7.620 7.500 1.00 0.10 N ATOM 278 CA ARG A 21 6.129 -6.424 7.182 1.00 0.12 C ATOM 279 C ARG A 21 7.458 -6.788 6.555 1.00 0.14 C ATOM 280 O ARG A 21 8.039 -6.015 5.794 1.00 0.16 O ATOM 281 CB ARG A 21 6.358 -5.636 8.455 1.00 0.13 C ATOM 282 CG ARG A 21 5.133 -5.582 9.343 1.00 0.16 C ATOM 283 CD ARG A 21 4.622 -4.164 9.475 1.00 0.33 C ATOM 284 NE ARG A 21 3.574 -4.038 10.484 1.00 0.40 N ATOM 285 CZ ARG A 21 2.738 -3.004 10.564 1.00 0.58 C ATOM 286 NH1 ARG A 21 2.766 -2.049 9.642 1.00 0.84 N1+ ATOM 287 NH2 ARG A 21 1.867 -2.933 11.560 1.00 0.62 N ATOM 0 H ARG A 21 5.592 -8.015 8.417 1.00 0.10 H new ATOM 0 HA ARG A 21 5.564 -5.821 6.471 1.00 0.12 H new ATOM 0 HB2 ARG A 21 7.183 -6.083 9.010 1.00 0.13 H new ATOM 0 HB3 ARG A 21 6.660 -4.620 8.198 1.00 0.13 H new ATOM 0 HG2 ARG A 21 4.350 -6.217 8.928 1.00 0.16 H new ATOM 0 HG3 ARG A 21 5.376 -5.978 10.329 1.00 0.16 H new ATOM 0 HD2 ARG A 21 5.451 -3.505 9.733 1.00 0.33 H new ATOM 0 HD3 ARG A 21 4.237 -3.829 8.512 1.00 0.33 H new ATOM 0 HE ARG A 21 3.476 -4.787 11.169 1.00 0.40 H new ATOM 0 HH11 ARG A 21 3.429 -2.106 8.869 1.00 0.84 H new ATOM 0 HH12 ARG A 21 2.124 -1.259 9.707 1.00 0.84 H new ATOM 0 HH21 ARG A 21 1.837 -3.670 12.265 1.00 0.62 H new ATOM 0 HH22 ARG A 21 1.227 -2.142 11.622 1.00 0.62 H new ATOM 301 N SER A 22 7.927 -7.981 6.877 1.00 0.18 N ATOM 302 CA SER A 22 9.201 -8.463 6.384 1.00 0.21 C ATOM 303 C SER A 22 9.104 -8.849 4.912 1.00 0.19 C ATOM 304 O SER A 22 10.115 -9.016 4.231 1.00 0.28 O ATOM 305 CB SER A 22 9.649 -9.663 7.206 1.00 0.28 C ATOM 306 OG SER A 22 9.685 -9.347 8.589 1.00 0.89 O ATOM 0 H SER A 22 7.437 -8.638 7.484 1.00 0.18 H new ATOM 0 HA SER A 22 9.934 -7.662 6.480 1.00 0.21 H new ATOM 0 HB2 SER A 22 8.969 -10.498 7.038 1.00 0.28 H new ATOM 0 HB3 SER A 22 10.637 -9.985 6.877 1.00 0.28 H new ATOM 0 HG SER A 22 9.974 -10.134 9.097 1.00 0.89 H new ATOM 312 N ALA A 23 7.879 -8.983 4.427 1.00 0.14 N ATOM 313 CA ALA A 23 7.644 -9.399 3.056 1.00 0.14 C ATOM 314 C ALA A 23 7.570 -8.198 2.124 1.00 0.13 C ATOM 315 O ALA A 23 7.452 -8.352 0.909 1.00 0.17 O ATOM 316 CB ALA A 23 6.367 -10.216 2.970 1.00 0.17 C ATOM 0 H ALA A 23 7.031 -8.809 4.966 1.00 0.14 H new ATOM 0 HA ALA A 23 8.483 -10.019 2.739 1.00 0.14 H new ATOM 0 HB1 ALA A 23 6.200 -10.523 1.937 1.00 0.17 H new ATOM 0 HB2 ALA A 23 6.457 -11.100 3.601 1.00 0.17 H new ATOM 0 HB3 ALA A 23 5.525 -9.612 3.310 1.00 0.17 H new ATOM 322 N SER A 24 7.658 -7.006 2.700 1.00 0.14 N ATOM 323 CA SER A 24 7.544 -5.775 1.936 1.00 0.15 C ATOM 324 C SER A 24 8.690 -5.630 0.946 1.00 0.15 C ATOM 325 O SER A 24 9.762 -6.215 1.112 1.00 0.26 O ATOM 326 CB SER A 24 7.505 -4.571 2.878 1.00 0.17 C ATOM 327 OG SER A 24 7.442 -3.350 2.157 1.00 0.21 O ATOM 0 H SER A 24 7.809 -6.868 3.699 1.00 0.14 H new ATOM 0 HA SER A 24 6.614 -5.816 1.369 1.00 0.15 H new ATOM 0 HB2 SER A 24 6.641 -4.651 3.537 1.00 0.17 H new ATOM 0 HB3 SER A 24 8.391 -4.575 3.513 1.00 0.17 H new ATOM 0 HG SER A 24 8.227 -2.803 2.371 1.00 0.21 H new ATOM 333 N ARG A 25 8.432 -4.870 -0.104 1.00 0.12 N ATOM 334 CA ARG A 25 9.407 -4.633 -1.144 1.00 0.12 C ATOM 335 C ARG A 25 10.166 -3.334 -0.924 1.00 0.13 C ATOM 336 O ARG A 25 11.228 -3.119 -1.506 1.00 0.18 O ATOM 337 CB ARG A 25 8.702 -4.604 -2.488 1.00 0.17 C ATOM 338 CG ARG A 25 8.246 -5.974 -2.966 1.00 0.27 C ATOM 339 CD ARG A 25 9.397 -6.962 -3.017 1.00 0.41 C ATOM 340 NE ARG A 25 9.680 -7.551 -1.708 1.00 1.10 N ATOM 341 CZ ARG A 25 10.424 -8.639 -1.519 1.00 1.31 C ATOM 342 NH1 ARG A 25 10.994 -9.250 -2.552 1.00 1.30 N1+ ATOM 343 NH2 ARG A 25 10.608 -9.109 -0.293 1.00 2.10 N ATOM 0 H ARG A 25 7.539 -4.401 -0.256 1.00 0.12 H new ATOM 0 HA ARG A 25 10.137 -5.442 -1.120 1.00 0.12 H new ATOM 0 HB2 ARG A 25 7.836 -3.945 -2.421 1.00 0.17 H new ATOM 0 HB3 ARG A 25 9.373 -4.174 -3.232 1.00 0.17 H new ATOM 0 HG2 ARG A 25 7.471 -6.352 -2.300 1.00 0.27 H new ATOM 0 HG3 ARG A 25 7.799 -5.884 -3.956 1.00 0.27 H new ATOM 0 HD2 ARG A 25 9.161 -7.755 -3.727 1.00 0.41 H new ATOM 0 HD3 ARG A 25 10.290 -6.458 -3.387 1.00 0.41 H new ATOM 0 HE ARG A 25 9.281 -7.098 -0.886 1.00 1.10 H new ATOM 0 HH11 ARG A 25 10.863 -8.886 -3.496 1.00 1.30 H new ATOM 0 HH12 ARG A 25 11.563 -10.083 -2.401 1.00 1.30 H new ATOM 0 HH21 ARG A 25 10.180 -8.637 0.504 1.00 2.10 H new ATOM 0 HH22 ARG A 25 11.178 -9.942 -0.146 1.00 2.10 H new ATOM 357 N VAL A 26 9.627 -2.478 -0.075 1.00 0.12 N ATOM 358 CA VAL A 26 10.194 -1.154 0.137 1.00 0.12 C ATOM 359 C VAL A 26 10.417 -0.924 1.632 1.00 0.13 C ATOM 360 O VAL A 26 9.782 -1.575 2.462 1.00 0.13 O ATOM 361 CB VAL A 26 9.271 -0.068 -0.467 1.00 0.12 C ATOM 362 CG1 VAL A 26 9.868 1.320 -0.318 1.00 0.11 C ATOM 363 CG2 VAL A 26 8.999 -0.363 -1.936 1.00 0.12 C ATOM 0 H VAL A 26 8.795 -2.675 0.481 1.00 0.12 H new ATOM 0 HA VAL A 26 11.157 -1.088 -0.370 1.00 0.12 H new ATOM 0 HB VAL A 26 8.331 -0.090 0.085 1.00 0.12 H new ATOM 0 HG11 VAL A 26 9.192 2.056 -0.754 1.00 0.11 H new ATOM 0 HG12 VAL A 26 10.013 1.542 0.739 1.00 0.11 H new ATOM 0 HG13 VAL A 26 10.828 1.360 -0.833 1.00 0.11 H new ATOM 0 HG21 VAL A 26 8.349 0.409 -2.348 1.00 0.12 H new ATOM 0 HG22 VAL A 26 9.941 -0.375 -2.485 1.00 0.12 H new ATOM 0 HG23 VAL A 26 8.513 -1.334 -2.028 1.00 0.12 H new ATOM 373 N ALA A 27 11.339 -0.031 1.977 1.00 0.13 N ATOM 374 CA ALA A 27 11.729 0.154 3.368 1.00 0.13 C ATOM 375 C ALA A 27 10.676 0.886 4.182 1.00 0.12 C ATOM 376 O ALA A 27 10.174 1.929 3.801 1.00 0.11 O ATOM 377 CB ALA A 27 13.051 0.881 3.482 1.00 0.14 C ATOM 0 H ALA A 27 11.827 0.573 1.315 1.00 0.13 H new ATOM 0 HA ALA A 27 11.834 -0.849 3.781 1.00 0.13 H new ATOM 0 HB1 ALA A 27 13.311 1.001 4.534 1.00 0.14 H new ATOM 0 HB2 ALA A 27 13.828 0.304 2.980 1.00 0.14 H new ATOM 0 HB3 ALA A 27 12.968 1.862 3.014 1.00 0.14 H new ATOM 383 N TYR A 28 10.411 0.317 5.327 1.00 0.13 N ATOM 384 CA TYR A 28 9.472 0.792 6.321 1.00 0.13 C ATOM 385 C TYR A 28 9.928 2.055 7.038 1.00 0.13 C ATOM 386 O TYR A 28 9.844 2.121 8.265 1.00 0.16 O ATOM 387 CB TYR A 28 9.164 -0.312 7.310 1.00 0.15 C ATOM 388 CG TYR A 28 7.748 -0.814 7.192 1.00 0.12 C ATOM 389 CD1 TYR A 28 6.701 -0.105 7.764 1.00 0.13 C ATOM 390 CD2 TYR A 28 7.454 -1.981 6.506 1.00 0.14 C ATOM 391 CE1 TYR A 28 5.398 -0.545 7.657 1.00 0.14 C ATOM 392 CE2 TYR A 28 6.153 -2.430 6.395 1.00 0.14 C ATOM 393 CZ TYR A 28 5.130 -1.707 6.974 1.00 0.14 C ATOM 394 OH TYR A 28 3.831 -2.150 6.871 1.00 0.16 O ATOM 0 H TYR A 28 10.872 -0.546 5.614 1.00 0.13 H new ATOM 0 HA TYR A 28 8.563 1.070 5.787 1.00 0.13 H new ATOM 0 HB2 TYR A 28 9.854 -1.141 7.151 1.00 0.15 H new ATOM 0 HB3 TYR A 28 9.333 0.054 8.323 1.00 0.15 H new ATOM 0 HD1 TYR A 28 6.910 0.808 8.303 1.00 0.13 H new ATOM 0 HD2 TYR A 28 8.253 -2.547 6.052 1.00 0.14 H new ATOM 0 HE1 TYR A 28 4.594 0.019 8.107 1.00 0.14 H new ATOM 0 HE2 TYR A 28 5.937 -3.342 5.858 1.00 0.14 H new ATOM 0 HH TYR A 28 3.371 -1.653 6.163 1.00 0.16 H new ATOM 404 N ASN A 29 10.439 3.037 6.305 1.00 0.13 N ATOM 405 CA ASN A 29 11.283 4.071 6.905 1.00 0.15 C ATOM 406 C ASN A 29 10.460 4.976 7.821 1.00 0.15 C ATOM 407 O ASN A 29 9.822 5.930 7.403 1.00 0.14 O ATOM 408 CB ASN A 29 11.979 4.934 5.813 1.00 0.15 C ATOM 409 CG ASN A 29 11.068 5.534 4.748 1.00 0.13 C ATOM 410 OD1 ASN A 29 11.543 5.994 3.713 1.00 0.13 O ATOM 411 ND2 ASN A 29 9.773 5.552 4.980 1.00 0.12 N ATOM 0 H ASN A 29 10.287 3.142 5.302 1.00 0.13 H new ATOM 0 HA ASN A 29 12.049 3.566 7.493 1.00 0.15 H new ATOM 0 HB2 ASN A 29 12.511 5.747 6.307 1.00 0.15 H new ATOM 0 HB3 ASN A 29 12.728 4.318 5.316 1.00 0.15 H new ATOM 0 HD21 ASN A 29 9.137 5.955 4.292 1.00 0.12 H new ATOM 0 HD22 ASN A 29 9.405 5.163 5.848 1.00 0.12 H new ATOM 418 N GLN A 30 10.499 4.667 9.110 1.00 0.18 N ATOM 419 CA GLN A 30 9.637 5.325 10.076 1.00 0.19 C ATOM 420 C GLN A 30 9.914 6.825 10.134 1.00 0.21 C ATOM 421 O GLN A 30 9.114 7.594 10.648 1.00 0.24 O ATOM 422 CB GLN A 30 9.790 4.696 11.459 1.00 0.23 C ATOM 423 CG GLN A 30 8.622 5.001 12.369 1.00 0.26 C ATOM 424 CD GLN A 30 7.320 4.434 11.867 1.00 0.26 C ATOM 425 OE1 GLN A 30 7.276 3.393 11.219 1.00 0.36 O ATOM 426 NE2 GLN A 30 6.251 5.140 12.158 1.00 0.29 N ATOM 0 H GLN A 30 11.120 3.963 9.509 1.00 0.18 H new ATOM 0 HA GLN A 30 8.607 5.186 9.748 1.00 0.19 H new ATOM 0 HB2 GLN A 30 9.891 3.616 11.354 1.00 0.23 H new ATOM 0 HB3 GLN A 30 10.709 5.059 11.919 1.00 0.23 H new ATOM 0 HG2 GLN A 30 8.828 4.600 13.362 1.00 0.26 H new ATOM 0 HG3 GLN A 30 8.524 6.081 12.476 1.00 0.26 H new ATOM 0 HE21 GLN A 30 6.339 5.999 12.700 1.00 0.29 H new ATOM 0 HE22 GLN A 30 5.333 4.829 11.842 1.00 0.29 H new ATOM 435 N SER A 31 11.035 7.235 9.571 1.00 0.20 N ATOM 436 CA SER A 31 11.405 8.640 9.523 1.00 0.21 C ATOM 437 C SER A 31 10.716 9.346 8.356 1.00 0.21 C ATOM 438 O SER A 31 10.508 10.555 8.395 1.00 0.30 O ATOM 439 CB SER A 31 12.918 8.773 9.405 1.00 0.23 C ATOM 440 OG SER A 31 13.566 8.068 10.454 1.00 1.11 O ATOM 0 H SER A 31 11.712 6.609 9.136 1.00 0.20 H new ATOM 0 HA SER A 31 11.076 9.117 10.446 1.00 0.21 H new ATOM 0 HB2 SER A 31 13.248 8.386 8.441 1.00 0.23 H new ATOM 0 HB3 SER A 31 13.200 9.825 9.439 1.00 0.23 H new ATOM 0 HG SER A 31 14.537 8.163 10.361 1.00 1.11 H new ATOM 446 N ALA A 32 10.367 8.594 7.313 1.00 0.15 N ATOM 447 CA ALA A 32 9.550 9.139 6.239 1.00 0.14 C ATOM 448 C ALA A 32 8.101 8.889 6.577 1.00 0.14 C ATOM 449 O ALA A 32 7.215 9.659 6.218 1.00 0.15 O ATOM 450 CB ALA A 32 9.891 8.526 4.883 1.00 0.12 C ATOM 0 H ALA A 32 10.635 7.617 7.192 1.00 0.15 H new ATOM 0 HA ALA A 32 9.749 10.207 6.155 1.00 0.14 H new ATOM 0 HB1 ALA A 32 9.255 8.965 4.115 1.00 0.12 H new ATOM 0 HB2 ALA A 32 10.936 8.725 4.646 1.00 0.12 H new ATOM 0 HB3 ALA A 32 9.726 7.449 4.919 1.00 0.12 H new ATOM 456 N ILE A 33 7.884 7.808 7.316 1.00 0.14 N ATOM 457 CA ILE A 33 6.555 7.425 7.754 1.00 0.16 C ATOM 458 C ILE A 33 6.018 8.436 8.749 1.00 0.19 C ATOM 459 O ILE A 33 4.879 8.874 8.654 1.00 0.22 O ATOM 460 CB ILE A 33 6.557 6.047 8.415 1.00 0.16 C ATOM 461 CG1 ILE A 33 6.928 4.963 7.404 1.00 0.14 C ATOM 462 CG2 ILE A 33 5.209 5.769 9.032 1.00 0.20 C ATOM 463 CD1 ILE A 33 7.083 3.587 8.018 1.00 0.15 C ATOM 0 H ILE A 33 8.623 7.177 7.626 1.00 0.14 H new ATOM 0 HA ILE A 33 5.921 7.392 6.868 1.00 0.16 H new ATOM 0 HB ILE A 33 7.309 6.038 9.204 1.00 0.16 H new ATOM 0 HG12 ILE A 33 6.161 4.922 6.630 1.00 0.14 H new ATOM 0 HG13 ILE A 33 7.861 5.240 6.913 1.00 0.14 H new ATOM 0 HG21 ILE A 33 5.219 4.785 9.501 1.00 0.20 H new ATOM 0 HG22 ILE A 33 4.990 6.527 9.784 1.00 0.20 H new ATOM 0 HG23 ILE A 33 4.442 5.794 8.258 1.00 0.20 H new ATOM 0 HD11 ILE A 33 7.347 2.869 7.241 1.00 0.15 H new ATOM 0 HD12 ILE A 33 7.870 3.611 8.772 1.00 0.15 H new ATOM 0 HD13 ILE A 33 6.144 3.289 8.484 1.00 0.15 H new ATOM 475 N ASP A 34 6.859 8.813 9.694 1.00 0.20 N ATOM 476 CA ASP A 34 6.493 9.787 10.702 1.00 0.24 C ATOM 477 C ASP A 34 6.490 11.161 10.071 1.00 0.25 C ATOM 478 O ASP A 34 5.929 12.120 10.597 1.00 0.29 O ATOM 479 CB ASP A 34 7.478 9.722 11.866 1.00 0.26 C ATOM 480 CG ASP A 34 7.252 10.808 12.898 1.00 0.78 C ATOM 481 OD1 ASP A 34 8.053 11.763 12.953 1.00 1.54 O ATOM 482 OD2 ASP A 34 6.261 10.718 13.654 1.00 1.41 O1- ATOM 0 H ASP A 34 7.810 8.454 9.783 1.00 0.20 H new ATOM 0 HA ASP A 34 5.498 9.572 11.091 1.00 0.24 H new ATOM 0 HB2 ASP A 34 7.397 8.748 12.349 1.00 0.26 H new ATOM 0 HB3 ASP A 34 8.494 9.802 11.479 1.00 0.26 H new ATOM 487 N ASP A 35 7.095 11.214 8.901 1.00 0.22 N ATOM 488 CA ASP A 35 7.139 12.408 8.094 1.00 0.24 C ATOM 489 C ASP A 35 5.889 12.472 7.226 1.00 0.24 C ATOM 490 O ASP A 35 5.864 13.135 6.194 1.00 0.25 O ATOM 491 CB ASP A 35 8.401 12.449 7.246 1.00 0.23 C ATOM 492 CG ASP A 35 8.730 13.849 6.772 1.00 0.29 C ATOM 493 OD1 ASP A 35 8.535 14.143 5.581 1.00 0.49 O ATOM 494 OD2 ASP A 35 9.191 14.664 7.598 1.00 0.48 O1- ATOM 0 H ASP A 35 7.575 10.417 8.483 1.00 0.22 H new ATOM 0 HA ASP A 35 7.164 13.281 8.747 1.00 0.24 H new ATOM 0 HB2 ASP A 35 9.238 12.058 7.825 1.00 0.23 H new ATOM 0 HB3 ASP A 35 8.277 11.795 6.383 1.00 0.23 H new ATOM 499 N SER A 36 4.891 11.674 7.614 1.00 0.25 N ATOM 500 CA SER A 36 3.589 11.593 6.942 1.00 0.27 C ATOM 501 C SER A 36 2.989 12.959 6.564 1.00 0.30 C ATOM 502 O SER A 36 2.018 13.022 5.809 1.00 0.37 O ATOM 503 CB SER A 36 2.612 10.815 7.826 1.00 0.35 C ATOM 504 OG SER A 36 2.662 9.426 7.543 1.00 1.47 O ATOM 0 H SER A 36 4.966 11.053 8.420 1.00 0.25 H new ATOM 0 HA SER A 36 3.758 11.074 5.998 1.00 0.27 H new ATOM 0 HB2 SER A 36 2.853 10.984 8.876 1.00 0.35 H new ATOM 0 HB3 SER A 36 1.599 11.185 7.667 1.00 0.35 H new ATOM 0 HG SER A 36 3.571 9.094 7.694 1.00 1.47 H new ATOM 510 N ASN A 37 3.563 14.042 7.071 1.00 0.29 N ATOM 511 CA ASN A 37 3.174 15.381 6.653 1.00 0.31 C ATOM 512 C ASN A 37 3.521 15.629 5.185 1.00 0.30 C ATOM 513 O ASN A 37 3.066 16.603 4.584 1.00 0.34 O ATOM 514 CB ASN A 37 3.826 16.450 7.548 1.00 0.34 C ATOM 515 CG ASN A 37 5.347 16.332 7.688 1.00 0.49 C ATOM 516 OD1 ASN A 37 5.896 16.624 8.749 1.00 0.97 O ATOM 517 ND2 ASN A 37 6.045 15.934 6.632 1.00 0.30 N ATOM 0 H ASN A 37 4.302 14.018 7.774 1.00 0.29 H new ATOM 0 HA ASN A 37 2.092 15.455 6.761 1.00 0.31 H new ATOM 0 HB2 ASN A 37 3.588 17.435 7.146 1.00 0.34 H new ATOM 0 HB3 ASN A 37 3.379 16.394 8.540 1.00 0.34 H new ATOM 0 HD21 ASN A 37 7.061 15.865 6.689 1.00 0.30 H new ATOM 0 HD22 ASN A 37 5.565 15.698 5.763 1.00 0.30 H new ATOM 524 N ASN A 38 4.348 14.750 4.622 1.00 0.26 N ATOM 525 CA ASN A 38 4.751 14.835 3.242 1.00 0.28 C ATOM 526 C ASN A 38 3.585 14.693 2.296 1.00 0.36 C ATOM 527 O ASN A 38 2.647 13.934 2.545 1.00 0.82 O ATOM 528 CB ASN A 38 5.741 13.731 2.939 1.00 0.21 C ATOM 529 CG ASN A 38 6.964 14.274 2.273 1.00 0.23 C ATOM 530 OD1 ASN A 38 7.028 14.396 1.053 1.00 0.25 O ATOM 531 ND2 ASN A 38 7.936 14.610 3.078 1.00 0.25 N ATOM 0 H ASN A 38 4.753 13.959 5.123 1.00 0.26 H new ATOM 0 HA ASN A 38 5.196 15.819 3.096 1.00 0.28 H new ATOM 0 HB2 ASN A 38 6.020 13.225 3.863 1.00 0.21 H new ATOM 0 HB3 ASN A 38 5.274 12.985 2.296 1.00 0.21 H new ATOM 0 HD21 ASN A 38 8.801 14.995 2.700 1.00 0.25 H new ATOM 0 HD22 ASN A 38 7.830 14.487 4.085 1.00 0.25 H new ATOM 538 N SER A 39 3.668 15.410 1.194 1.00 0.29 N ATOM 539 CA SER A 39 2.765 15.202 0.087 1.00 0.31 C ATOM 540 C SER A 39 3.147 13.925 -0.641 1.00 0.21 C ATOM 541 O SER A 39 2.464 13.498 -1.568 1.00 0.21 O ATOM 542 CB SER A 39 2.817 16.392 -0.861 1.00 0.43 C ATOM 543 OG SER A 39 4.138 16.901 -0.966 1.00 1.39 O ATOM 0 H SER A 39 4.358 16.146 1.043 1.00 0.29 H new ATOM 0 HA SER A 39 1.746 15.107 0.462 1.00 0.31 H new ATOM 0 HB2 SER A 39 2.459 16.093 -1.846 1.00 0.43 H new ATOM 0 HB3 SER A 39 2.149 17.176 -0.504 1.00 0.43 H new ATOM 0 HG SER A 39 4.147 17.664 -1.581 1.00 1.39 H new ATOM 549 N ALA A 40 4.246 13.309 -0.195 1.00 0.15 N ATOM 550 CA ALA A 40 4.695 12.048 -0.742 1.00 0.12 C ATOM 551 C ALA A 40 3.707 10.952 -0.412 1.00 0.11 C ATOM 552 O ALA A 40 3.721 9.899 -1.015 1.00 0.14 O ATOM 553 CB ALA A 40 6.069 11.694 -0.204 1.00 0.10 C ATOM 0 H ALA A 40 4.838 13.676 0.550 1.00 0.15 H new ATOM 0 HA ALA A 40 4.762 12.146 -1.826 1.00 0.12 H new ATOM 0 HB1 ALA A 40 6.391 10.742 -0.626 1.00 0.10 H new ATOM 0 HB2 ALA A 40 6.780 12.473 -0.481 1.00 0.10 H new ATOM 0 HB3 ALA A 40 6.025 11.613 0.882 1.00 0.10 H new ATOM 559 N TRP A 41 2.847 11.218 0.552 1.00 0.10 N ATOM 560 CA TRP A 41 1.905 10.223 1.023 1.00 0.10 C ATOM 561 C TRP A 41 0.536 10.386 0.373 1.00 0.12 C ATOM 562 O TRP A 41 -0.314 9.498 0.458 1.00 0.15 O ATOM 563 CB TRP A 41 1.786 10.325 2.530 1.00 0.10 C ATOM 564 CG TRP A 41 3.062 10.009 3.242 1.00 0.10 C ATOM 565 CD1 TRP A 41 3.875 10.894 3.883 1.00 0.12 C ATOM 566 CD2 TRP A 41 3.687 8.726 3.372 1.00 0.09 C ATOM 567 NE1 TRP A 41 4.942 10.237 4.434 1.00 0.12 N ATOM 568 CE2 TRP A 41 4.853 8.909 4.129 1.00 0.10 C ATOM 569 CE3 TRP A 41 3.373 7.438 2.933 1.00 0.11 C ATOM 570 CZ2 TRP A 41 5.699 7.858 4.460 1.00 0.10 C ATOM 571 CZ3 TRP A 41 4.213 6.398 3.262 1.00 0.13 C ATOM 572 CH2 TRP A 41 5.365 6.614 4.024 1.00 0.12 C ATOM 0 H TRP A 41 2.782 12.119 1.026 1.00 0.10 H new ATOM 0 HA TRP A 41 2.279 9.238 0.745 1.00 0.10 H new ATOM 0 HB2 TRP A 41 1.469 11.333 2.796 1.00 0.10 H new ATOM 0 HB3 TRP A 41 1.007 9.645 2.874 1.00 0.10 H new ATOM 0 HD1 TRP A 41 3.703 11.958 3.947 1.00 0.12 H new ATOM 0 HE1 TRP A 41 5.684 10.670 4.984 1.00 0.12 H new ATOM 0 HE3 TRP A 41 2.485 7.261 2.345 1.00 0.11 H new ATOM 0 HZ2 TRP A 41 6.592 8.023 5.044 1.00 0.10 H new ATOM 0 HZ3 TRP A 41 3.978 5.399 2.926 1.00 0.13 H new ATOM 0 HH2 TRP A 41 6.002 5.777 4.271 1.00 0.12 H new ATOM 583 N ASP A 42 0.326 11.522 -0.267 1.00 0.11 N ATOM 584 CA ASP A 42 -0.925 11.789 -0.960 1.00 0.14 C ATOM 585 C ASP A 42 -0.899 11.129 -2.325 1.00 0.15 C ATOM 586 O ASP A 42 -0.203 11.576 -3.237 1.00 0.21 O ATOM 587 CB ASP A 42 -1.158 13.289 -1.103 1.00 0.21 C ATOM 588 CG ASP A 42 -2.387 13.605 -1.936 1.00 0.33 C ATOM 589 OD1 ASP A 42 -3.504 13.218 -1.530 1.00 0.50 O ATOM 590 OD2 ASP A 42 -2.243 14.241 -3.003 1.00 0.41 O1- ATOM 0 H ASP A 42 1.008 12.279 -0.322 1.00 0.11 H new ATOM 0 HA ASP A 42 -1.745 11.375 -0.374 1.00 0.14 H new ATOM 0 HB2 ASP A 42 -1.269 13.733 -0.114 1.00 0.21 H new ATOM 0 HB3 ASP A 42 -0.283 13.748 -1.562 1.00 0.21 H new ATOM 595 N PHE A 43 -1.655 10.044 -2.430 1.00 0.11 N ATOM 596 CA PHE A 43 -1.709 9.245 -3.648 1.00 0.10 C ATOM 597 C PHE A 43 -2.129 10.091 -4.861 1.00 0.12 C ATOM 598 O PHE A 43 -1.348 10.307 -5.784 1.00 0.14 O ATOM 599 CB PHE A 43 -2.756 8.137 -3.519 1.00 0.09 C ATOM 600 CG PHE A 43 -2.517 7.077 -2.499 1.00 0.08 C ATOM 601 CD1 PHE A 43 -2.345 7.371 -1.164 1.00 0.10 C ATOM 602 CD2 PHE A 43 -2.480 5.760 -2.903 1.00 0.07 C ATOM 603 CE1 PHE A 43 -2.129 6.364 -0.250 1.00 0.11 C ATOM 604 CE2 PHE A 43 -2.268 4.754 -2.002 1.00 0.09 C ATOM 605 CZ PHE A 43 -2.089 5.050 -0.675 1.00 0.06 C ATOM 0 H PHE A 43 -2.246 9.694 -1.676 1.00 0.11 H new ATOM 0 HA PHE A 43 -0.708 8.838 -3.790 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -3.715 8.605 -3.298 1.00 0.09 H new ATOM 0 HB3 PHE A 43 -2.854 7.652 -4.490 1.00 0.09 H new ATOM 0 HD1 PHE A 43 -2.380 8.398 -0.832 1.00 0.10 H new ATOM 0 HD2 PHE A 43 -2.621 5.519 -3.946 1.00 0.07 H new ATOM 0 HE1 PHE A 43 -1.991 6.600 0.795 1.00 0.11 H new ATOM 0 HE2 PHE A 43 -2.242 3.727 -2.335 1.00 0.09 H new ATOM 0 HZ PHE A 43 -1.917 4.257 0.037 1.00 0.06 H new ATOM 615 N ALA A 44 -3.372 10.592 -4.798 1.00 0.13 N ATOM 616 CA ALA A 44 -3.994 11.413 -5.854 1.00 0.16 C ATOM 617 C ALA A 44 -5.510 11.492 -5.635 1.00 0.18 C ATOM 618 O ALA A 44 -5.972 12.173 -4.724 1.00 0.24 O ATOM 619 CB ALA A 44 -3.712 10.877 -7.258 1.00 0.16 C ATOM 0 H ALA A 44 -3.986 10.437 -3.998 1.00 0.13 H new ATOM 0 HA ALA A 44 -3.550 12.406 -5.785 1.00 0.16 H new ATOM 0 HB1 ALA A 44 -4.193 11.519 -7.996 1.00 0.16 H new ATOM 0 HB2 ALA A 44 -2.636 10.865 -7.434 1.00 0.16 H new ATOM 0 HB3 ALA A 44 -4.105 9.864 -7.347 1.00 0.16 H new ATOM 625 N ASP A 45 -6.280 10.762 -6.453 1.00 0.17 N ATOM 626 CA ASP A 45 -7.739 10.734 -6.326 1.00 0.20 C ATOM 627 C ASP A 45 -8.304 9.359 -6.668 1.00 0.16 C ATOM 628 O ASP A 45 -8.414 8.995 -7.837 1.00 0.19 O ATOM 629 CB ASP A 45 -8.391 11.775 -7.226 1.00 0.26 C ATOM 630 CG ASP A 45 -8.294 13.183 -6.678 1.00 1.04 C ATOM 631 OD1 ASP A 45 -7.412 13.939 -7.136 1.00 1.82 O ATOM 632 OD2 ASP A 45 -9.082 13.536 -5.773 1.00 1.18 O1- ATOM 0 H ASP A 45 -5.914 10.184 -7.209 1.00 0.17 H new ATOM 0 HA ASP A 45 -7.967 10.963 -5.285 1.00 0.20 H new ATOM 0 HB2 ASP A 45 -7.921 11.742 -8.209 1.00 0.26 H new ATOM 0 HB3 ASP A 45 -9.441 11.518 -7.366 1.00 0.26 H new ATOM 637 N GLY A 46 -8.680 8.606 -5.635 1.00 0.17 N ATOM 638 CA GLY A 46 -9.158 7.231 -5.819 1.00 0.16 C ATOM 639 C GLY A 46 -8.120 6.352 -6.484 1.00 0.12 C ATOM 640 O GLY A 46 -8.427 5.291 -7.013 1.00 0.16 O ATOM 0 H GLY A 46 -8.664 8.921 -4.665 1.00 0.17 H new ATOM 0 HA2 GLY A 46 -9.424 6.808 -4.851 1.00 0.16 H new ATOM 0 HA3 GLY A 46 -10.065 7.241 -6.423 1.00 0.16 H new ATOM 644 N VAL A 47 -6.885 6.804 -6.412 1.00 0.08 N ATOM 645 CA VAL A 47 -5.740 6.109 -6.969 1.00 0.06 C ATOM 646 C VAL A 47 -5.497 4.843 -6.184 1.00 0.05 C ATOM 647 O VAL A 47 -5.185 3.796 -6.733 1.00 0.06 O ATOM 648 CB VAL A 47 -4.516 7.031 -6.914 1.00 0.08 C ATOM 649 CG1 VAL A 47 -4.668 7.982 -5.765 1.00 0.11 C ATOM 650 CG2 VAL A 47 -3.222 6.241 -6.817 1.00 0.09 C ATOM 0 H VAL A 47 -6.643 7.683 -5.955 1.00 0.08 H new ATOM 0 HA VAL A 47 -5.928 5.842 -8.009 1.00 0.06 H new ATOM 0 HB VAL A 47 -4.460 7.600 -7.842 1.00 0.08 H new ATOM 0 HG11 VAL A 47 -3.801 8.640 -5.721 1.00 0.11 H new ATOM 0 HG12 VAL A 47 -5.570 8.579 -5.903 1.00 0.11 H new ATOM 0 HG13 VAL A 47 -4.744 7.419 -4.835 1.00 0.11 H new ATOM 0 HG21 VAL A 47 -2.377 6.929 -6.780 1.00 0.09 H new ATOM 0 HG22 VAL A 47 -3.234 5.633 -5.913 1.00 0.09 H new ATOM 0 HG23 VAL A 47 -3.125 5.594 -7.688 1.00 0.09 H new ATOM 660 N LEU A 48 -5.699 4.947 -4.890 1.00 0.06 N ATOM 661 CA LEU A 48 -5.577 3.821 -4.012 1.00 0.06 C ATOM 662 C LEU A 48 -6.715 2.877 -4.243 1.00 0.08 C ATOM 663 O LEU A 48 -6.543 1.674 -4.331 1.00 0.09 O ATOM 664 CB LEU A 48 -5.598 4.333 -2.597 1.00 0.08 C ATOM 665 CG LEU A 48 -5.638 3.266 -1.521 1.00 0.08 C ATOM 666 CD1 LEU A 48 -4.588 2.207 -1.799 1.00 0.08 C ATOM 667 CD2 LEU A 48 -5.452 3.899 -0.157 1.00 0.10 C ATOM 0 H LEU A 48 -5.952 5.818 -4.423 1.00 0.06 H new ATOM 0 HA LEU A 48 -4.647 3.285 -4.199 1.00 0.06 H new ATOM 0 HB2 LEU A 48 -4.715 4.952 -2.439 1.00 0.08 H new ATOM 0 HB3 LEU A 48 -6.466 4.981 -2.476 1.00 0.08 H new ATOM 0 HG LEU A 48 -6.612 2.776 -1.529 1.00 0.08 H new ATOM 0 HD11 LEU A 48 -4.625 1.445 -1.020 1.00 0.08 H new ATOM 0 HD12 LEU A 48 -4.783 1.746 -2.767 1.00 0.08 H new ATOM 0 HD13 LEU A 48 -3.600 2.668 -1.809 1.00 0.08 H new ATOM 0 HD21 LEU A 48 -5.482 3.125 0.610 1.00 0.10 H new ATOM 0 HD22 LEU A 48 -4.489 4.409 -0.121 1.00 0.10 H new ATOM 0 HD23 LEU A 48 -6.251 4.619 0.022 1.00 0.10 H new ATOM 679 N GLU A 49 -7.861 3.468 -4.409 1.00 0.09 N ATOM 680 CA GLU A 49 -9.098 2.755 -4.613 1.00 0.12 C ATOM 681 C GLU A 49 -9.089 2.068 -5.957 1.00 0.12 C ATOM 682 O GLU A 49 -9.923 1.228 -6.250 1.00 0.15 O ATOM 683 CB GLU A 49 -10.198 3.771 -4.514 1.00 0.17 C ATOM 684 CG GLU A 49 -10.266 4.335 -3.120 1.00 0.30 C ATOM 685 CD GLU A 49 -10.967 3.423 -2.138 1.00 0.99 C ATOM 686 OE1 GLU A 49 -12.079 2.944 -2.442 1.00 1.32 O ATOM 687 OE2 GLU A 49 -10.411 3.200 -1.048 1.00 1.49 O1- ATOM 0 H GLU A 49 -7.970 4.482 -4.407 1.00 0.09 H new ATOM 0 HA GLU A 49 -9.241 1.973 -3.867 1.00 0.12 H new ATOM 0 HB2 GLU A 49 -10.026 4.574 -5.230 1.00 0.17 H new ATOM 0 HB3 GLU A 49 -11.151 3.311 -4.774 1.00 0.17 H new ATOM 0 HG2 GLU A 49 -9.254 4.530 -2.765 1.00 0.30 H new ATOM 0 HG3 GLU A 49 -10.784 5.293 -3.148 1.00 0.30 H new ATOM 694 N GLN A 50 -8.114 2.450 -6.750 1.00 0.10 N ATOM 695 CA GLN A 50 -7.837 1.839 -8.021 1.00 0.11 C ATOM 696 C GLN A 50 -7.068 0.574 -7.827 1.00 0.10 C ATOM 697 O GLN A 50 -7.425 -0.489 -8.322 1.00 0.12 O ATOM 698 CB GLN A 50 -6.991 2.776 -8.837 1.00 0.11 C ATOM 699 CG GLN A 50 -7.798 3.556 -9.840 1.00 0.14 C ATOM 700 CD GLN A 50 -7.923 2.816 -11.159 1.00 0.21 C ATOM 701 OE1 GLN A 50 -8.108 3.430 -12.207 1.00 0.37 O ATOM 702 NE2 GLN A 50 -7.775 1.491 -11.129 1.00 0.20 N ATOM 0 H GLN A 50 -7.478 3.214 -6.519 1.00 0.10 H new ATOM 0 HA GLN A 50 -8.780 1.625 -8.523 1.00 0.11 H new ATOM 0 HB2 GLN A 50 -6.477 3.469 -8.171 1.00 0.11 H new ATOM 0 HB3 GLN A 50 -6.222 2.206 -9.359 1.00 0.11 H new ATOM 0 HG2 GLN A 50 -8.792 3.749 -9.436 1.00 0.14 H new ATOM 0 HG3 GLN A 50 -7.329 4.525 -10.010 1.00 0.14 H new ATOM 0 HE21 GLN A 50 -7.623 1.015 -10.240 1.00 0.20 H new ATOM 0 HE22 GLN A 50 -7.814 0.954 -11.995 1.00 0.20 H new ATOM 711 N ILE A 51 -5.994 0.732 -7.107 1.00 0.09 N ATOM 712 CA ILE A 51 -5.097 -0.345 -6.802 1.00 0.09 C ATOM 713 C ILE A 51 -5.813 -1.348 -5.932 1.00 0.11 C ATOM 714 O ILE A 51 -5.567 -2.547 -5.988 1.00 0.16 O ATOM 715 CB ILE A 51 -3.890 0.205 -6.055 1.00 0.08 C ATOM 716 CG1 ILE A 51 -3.396 1.463 -6.756 1.00 0.06 C ATOM 717 CG2 ILE A 51 -2.797 -0.843 -5.968 1.00 0.09 C ATOM 718 CD1 ILE A 51 -2.448 2.266 -5.917 1.00 0.06 C ATOM 0 H ILE A 51 -5.713 1.628 -6.709 1.00 0.09 H new ATOM 0 HA ILE A 51 -4.766 -0.826 -7.722 1.00 0.09 H new ATOM 0 HB ILE A 51 -4.178 0.463 -5.036 1.00 0.08 H new ATOM 0 HG12 ILE A 51 -2.902 1.184 -7.687 1.00 0.06 H new ATOM 0 HG13 ILE A 51 -4.251 2.083 -7.023 1.00 0.06 H new ATOM 0 HG21 ILE A 51 -1.942 -0.433 -5.431 1.00 0.09 H new ATOM 0 HG22 ILE A 51 -3.173 -1.718 -5.438 1.00 0.09 H new ATOM 0 HG23 ILE A 51 -2.490 -1.132 -6.973 1.00 0.09 H new ATOM 0 HD11 ILE A 51 -2.131 3.150 -6.471 1.00 0.06 H new ATOM 0 HD12 ILE A 51 -2.947 2.573 -4.998 1.00 0.06 H new ATOM 0 HD13 ILE A 51 -1.576 1.660 -5.672 1.00 0.06 H new ATOM 730 N LEU A 52 -6.705 -0.817 -5.124 1.00 0.09 N ATOM 731 CA LEU A 52 -7.565 -1.606 -4.274 1.00 0.10 C ATOM 732 C LEU A 52 -8.651 -2.276 -5.078 1.00 0.11 C ATOM 733 O LEU A 52 -8.947 -3.453 -4.887 1.00 0.13 O ATOM 734 CB LEU A 52 -8.158 -0.711 -3.215 1.00 0.10 C ATOM 735 CG LEU A 52 -7.152 -0.256 -2.187 1.00 0.09 C ATOM 736 CD1 LEU A 52 -7.764 0.819 -1.331 1.00 0.10 C ATOM 737 CD2 LEU A 52 -6.703 -1.442 -1.366 1.00 0.10 C ATOM 0 H LEU A 52 -6.854 0.188 -5.039 1.00 0.09 H new ATOM 0 HA LEU A 52 -6.979 -2.393 -3.799 1.00 0.10 H new ATOM 0 HB2 LEU A 52 -8.599 0.163 -3.693 1.00 0.10 H new ATOM 0 HB3 LEU A 52 -8.967 -1.241 -2.712 1.00 0.10 H new ATOM 0 HG LEU A 52 -6.273 0.165 -2.675 1.00 0.09 H new ATOM 0 HD11 LEU A 52 -7.039 1.149 -0.587 1.00 0.10 H new ATOM 0 HD12 LEU A 52 -8.051 1.663 -1.957 1.00 0.10 H new ATOM 0 HD13 LEU A 52 -8.646 0.424 -0.827 1.00 0.10 H new ATOM 0 HD21 LEU A 52 -5.976 -1.115 -0.622 1.00 0.10 H new ATOM 0 HD22 LEU A 52 -7.564 -1.883 -0.863 1.00 0.10 H new ATOM 0 HD23 LEU A 52 -6.245 -2.185 -2.020 1.00 0.10 H new ATOM 749 N ALA A 53 -9.219 -1.527 -5.999 1.00 0.12 N ATOM 750 CA ALA A 53 -10.214 -2.078 -6.911 1.00 0.14 C ATOM 751 C ALA A 53 -9.577 -3.208 -7.692 1.00 0.15 C ATOM 752 O ALA A 53 -10.200 -4.227 -7.996 1.00 0.18 O ATOM 753 CB ALA A 53 -10.733 -1.011 -7.858 1.00 0.16 C ATOM 0 H ALA A 53 -9.014 -0.538 -6.140 1.00 0.12 H new ATOM 0 HA ALA A 53 -11.063 -2.451 -6.338 1.00 0.14 H new ATOM 0 HB1 ALA A 53 -11.474 -1.448 -8.528 1.00 0.16 H new ATOM 0 HB2 ALA A 53 -11.193 -0.207 -7.283 1.00 0.16 H new ATOM 0 HB3 ALA A 53 -9.906 -0.611 -8.444 1.00 0.16 H new ATOM 759 N THR A 54 -8.307 -3.003 -7.980 1.00 0.15 N ATOM 760 CA THR A 54 -7.487 -3.966 -8.640 1.00 0.16 C ATOM 761 C THR A 54 -7.197 -5.149 -7.719 1.00 0.15 C ATOM 762 O THR A 54 -7.538 -6.272 -8.058 1.00 0.17 O ATOM 763 CB THR A 54 -6.185 -3.288 -9.116 1.00 0.18 C ATOM 764 OG1 THR A 54 -6.398 -2.651 -10.383 1.00 0.24 O ATOM 765 CG2 THR A 54 -5.017 -4.267 -9.213 1.00 0.24 C ATOM 0 H THR A 54 -7.817 -2.138 -7.751 1.00 0.15 H new ATOM 0 HA THR A 54 -8.014 -4.356 -9.510 1.00 0.16 H new ATOM 0 HB THR A 54 -5.918 -2.542 -8.367 1.00 0.18 H new ATOM 0 HG1 THR A 54 -5.568 -2.222 -10.677 1.00 0.24 H new ATOM 0 HG21 THR A 54 -4.126 -3.738 -9.552 1.00 0.24 H new ATOM 0 HG22 THR A 54 -4.828 -4.706 -8.233 1.00 0.24 H new ATOM 0 HG23 THR A 54 -5.262 -5.057 -9.923 1.00 0.24 H new ATOM 773 N SER A 55 -6.622 -4.890 -6.540 1.00 0.13 N ATOM 774 CA SER A 55 -6.221 -5.948 -5.625 1.00 0.13 C ATOM 775 C SER A 55 -7.363 -6.935 -5.371 1.00 0.11 C ATOM 776 O SER A 55 -7.155 -8.143 -5.372 1.00 0.13 O ATOM 777 CB SER A 55 -5.689 -5.356 -4.329 1.00 0.18 C ATOM 778 OG SER A 55 -6.361 -4.170 -3.999 1.00 0.90 O ATOM 0 H SER A 55 -6.426 -3.948 -6.201 1.00 0.13 H new ATOM 0 HA SER A 55 -5.415 -6.514 -6.092 1.00 0.13 H new ATOM 0 HB2 SER A 55 -5.805 -6.079 -3.522 1.00 0.18 H new ATOM 0 HB3 SER A 55 -4.622 -5.157 -4.428 1.00 0.18 H new ATOM 0 HG SER A 55 -5.935 -3.415 -4.456 1.00 0.90 H new ATOM 784 N ARG A 56 -8.574 -6.420 -5.205 1.00 0.10 N ATOM 785 CA ARG A 56 -9.752 -7.271 -5.033 1.00 0.10 C ATOM 786 C ARG A 56 -10.009 -8.108 -6.284 1.00 0.12 C ATOM 787 O ARG A 56 -10.206 -9.319 -6.197 1.00 0.17 O ATOM 788 CB ARG A 56 -10.976 -6.413 -4.736 1.00 0.11 C ATOM 789 CG ARG A 56 -10.787 -5.476 -3.576 1.00 0.14 C ATOM 790 CD ARG A 56 -11.643 -4.234 -3.749 1.00 0.17 C ATOM 791 NE ARG A 56 -13.055 -4.537 -3.986 1.00 1.28 N ATOM 792 CZ ARG A 56 -14.028 -3.622 -3.962 1.00 1.63 C ATOM 793 NH1 ARG A 56 -13.742 -2.346 -3.726 1.00 1.09 N1+ ATOM 794 NH2 ARG A 56 -15.285 -3.983 -4.185 1.00 2.73 N ATOM 0 H ARG A 56 -8.770 -5.419 -5.185 1.00 0.10 H new ATOM 0 HA ARG A 56 -9.564 -7.944 -4.196 1.00 0.10 H new ATOM 0 HB2 ARG A 56 -11.227 -5.833 -5.624 1.00 0.11 H new ATOM 0 HB3 ARG A 56 -11.825 -7.065 -4.531 1.00 0.11 H new ATOM 0 HG2 ARG A 56 -11.052 -5.981 -2.647 1.00 0.14 H new ATOM 0 HG3 ARG A 56 -9.737 -5.193 -3.497 1.00 0.14 H new ATOM 0 HD2 ARG A 56 -11.556 -3.613 -2.857 1.00 0.17 H new ATOM 0 HD3 ARG A 56 -11.258 -3.649 -4.584 1.00 0.17 H new ATOM 0 HE ARG A 56 -13.312 -5.505 -4.181 1.00 1.28 H new ATOM 0 HH11 ARG A 56 -12.776 -2.062 -3.562 1.00 1.09 H new ATOM 0 HH12 ARG A 56 -14.488 -1.651 -3.709 1.00 1.09 H new ATOM 0 HH21 ARG A 56 -15.509 -4.960 -4.375 1.00 2.73 H new ATOM 0 HH22 ARG A 56 -16.027 -3.284 -4.166 1.00 2.73 H new ATOM 808 N SER A 57 -9.995 -7.452 -7.442 1.00 0.13 N ATOM 809 CA SER A 57 -10.199 -8.120 -8.722 1.00 0.17 C ATOM 810 C SER A 57 -9.152 -9.209 -8.938 1.00 0.18 C ATOM 811 O SER A 57 -9.448 -10.299 -9.431 1.00 0.22 O ATOM 812 CB SER A 57 -10.124 -7.090 -9.849 1.00 0.22 C ATOM 813 OG SER A 57 -10.281 -7.696 -11.124 1.00 0.55 O ATOM 0 H SER A 57 -9.842 -6.446 -7.518 1.00 0.13 H new ATOM 0 HA SER A 57 -11.182 -8.590 -8.721 1.00 0.17 H new ATOM 0 HB2 SER A 57 -10.899 -6.337 -9.706 1.00 0.22 H new ATOM 0 HB3 SER A 57 -9.165 -6.573 -9.807 1.00 0.22 H new ATOM 0 HG SER A 57 -10.229 -7.009 -11.821 1.00 0.55 H new ATOM 819 N ARG A 58 -7.928 -8.894 -8.550 1.00 0.18 N ATOM 820 CA ARG A 58 -6.800 -9.803 -8.674 1.00 0.21 C ATOM 821 C ARG A 58 -6.964 -10.991 -7.741 1.00 0.18 C ATOM 822 O ARG A 58 -6.504 -12.097 -8.022 1.00 0.22 O ATOM 823 CB ARG A 58 -5.541 -9.052 -8.303 1.00 0.24 C ATOM 824 CG ARG A 58 -5.381 -7.741 -9.043 1.00 0.27 C ATOM 825 CD ARG A 58 -4.471 -7.868 -10.246 1.00 0.37 C ATOM 826 NE ARG A 58 -4.634 -6.762 -11.193 1.00 1.25 N ATOM 827 CZ ARG A 58 -5.633 -6.667 -12.075 1.00 1.56 C ATOM 828 NH1 ARG A 58 -6.544 -7.628 -12.167 1.00 1.28 N1+ ATOM 829 NH2 ARG A 58 -5.711 -5.610 -12.875 1.00 2.50 N ATOM 0 H ARG A 58 -7.687 -7.993 -8.137 1.00 0.18 H new ATOM 0 HA ARG A 58 -6.745 -10.172 -9.698 1.00 0.21 H new ATOM 0 HB2 ARG A 58 -5.546 -8.857 -7.231 1.00 0.24 H new ATOM 0 HB3 ARG A 58 -4.677 -9.684 -8.508 1.00 0.24 H new ATOM 0 HG2 ARG A 58 -6.360 -7.387 -9.366 1.00 0.27 H new ATOM 0 HG3 ARG A 58 -4.979 -6.990 -8.364 1.00 0.27 H new ATOM 0 HD2 ARG A 58 -3.434 -7.905 -9.911 1.00 0.37 H new ATOM 0 HD3 ARG A 58 -4.676 -8.810 -10.754 1.00 0.37 H new ATOM 0 HE ARG A 58 -3.939 -6.015 -11.178 1.00 1.25 H new ATOM 0 HH11 ARG A 58 -6.485 -8.447 -11.562 1.00 1.28 H new ATOM 0 HH12 ARG A 58 -7.304 -7.548 -12.843 1.00 1.28 H new ATOM 0 HH21 ARG A 58 -5.009 -4.872 -12.815 1.00 2.50 H new ATOM 0 HH22 ARG A 58 -6.473 -5.536 -13.549 1.00 2.50 H new ATOM 843 N GLY A 59 -7.628 -10.738 -6.631 1.00 0.14 N ATOM 844 CA GLY A 59 -7.858 -11.768 -5.640 1.00 0.15 C ATOM 845 C GLY A 59 -6.972 -11.589 -4.428 1.00 0.18 C ATOM 846 O GLY A 59 -6.842 -12.489 -3.600 1.00 0.24 O ATOM 0 H GLY A 59 -8.018 -9.826 -6.393 1.00 0.14 H new ATOM 0 HA2 GLY A 59 -8.903 -11.749 -5.332 1.00 0.15 H new ATOM 0 HA3 GLY A 59 -7.674 -12.747 -6.083 1.00 0.15 H new ATOM 850 N TYR A 60 -6.375 -10.411 -4.325 1.00 0.16 N ATOM 851 CA TYR A 60 -5.530 -10.061 -3.201 1.00 0.17 C ATOM 852 C TYR A 60 -6.395 -9.858 -1.965 1.00 0.15 C ATOM 853 O TYR A 60 -6.111 -10.384 -0.889 1.00 0.18 O ATOM 854 CB TYR A 60 -4.768 -8.777 -3.526 1.00 0.16 C ATOM 855 CG TYR A 60 -3.611 -8.962 -4.483 1.00 0.18 C ATOM 856 CD1 TYR A 60 -3.670 -8.427 -5.751 1.00 0.27 C ATOM 857 CD2 TYR A 60 -2.462 -9.650 -4.120 1.00 0.45 C ATOM 858 CE1 TYR A 60 -2.633 -8.559 -6.641 1.00 0.26 C ATOM 859 CE2 TYR A 60 -1.408 -9.795 -5.007 1.00 0.51 C ATOM 860 CZ TYR A 60 -1.498 -9.244 -6.269 1.00 0.28 C ATOM 861 OH TYR A 60 -0.454 -9.370 -7.156 1.00 0.35 O ATOM 0 H TYR A 60 -6.465 -9.672 -5.022 1.00 0.16 H new ATOM 0 HA TYR A 60 -4.816 -10.862 -3.008 1.00 0.17 H new ATOM 0 HB2 TYR A 60 -5.464 -8.054 -3.952 1.00 0.16 H new ATOM 0 HB3 TYR A 60 -4.391 -8.348 -2.598 1.00 0.16 H new ATOM 0 HD1 TYR A 60 -4.556 -7.889 -6.053 1.00 0.27 H new ATOM 0 HD2 TYR A 60 -2.388 -10.079 -3.131 1.00 0.45 H new ATOM 0 HE1 TYR A 60 -2.707 -8.128 -7.628 1.00 0.26 H new ATOM 0 HE2 TYR A 60 -0.521 -10.336 -4.713 1.00 0.51 H new ATOM 0 HH TYR A 60 0.271 -9.880 -6.738 1.00 0.35 H new ATOM 871 N ILE A 61 -7.471 -9.102 -2.150 1.00 0.12 N ATOM 872 CA ILE A 61 -8.376 -8.750 -1.078 1.00 0.12 C ATOM 873 C ILE A 61 -9.815 -8.756 -1.538 1.00 0.11 C ATOM 874 O ILE A 61 -10.142 -9.174 -2.649 1.00 0.11 O ATOM 875 CB ILE A 61 -8.095 -7.334 -0.599 1.00 0.10 C ATOM 876 CG1 ILE A 61 -7.885 -6.447 -1.823 1.00 0.09 C ATOM 877 CG2 ILE A 61 -6.894 -7.307 0.331 1.00 0.11 C ATOM 878 CD1 ILE A 61 -7.953 -4.974 -1.530 1.00 0.11 C ATOM 0 H ILE A 61 -7.736 -8.717 -3.056 1.00 0.12 H new ATOM 0 HA ILE A 61 -8.223 -9.487 -0.290 1.00 0.12 H new ATOM 0 HB ILE A 61 -8.941 -6.956 -0.025 1.00 0.10 H new ATOM 0 HG12 ILE A 61 -6.914 -6.675 -2.262 1.00 0.09 H new ATOM 0 HG13 ILE A 61 -8.639 -6.693 -2.571 1.00 0.09 H new ATOM 0 HG21 ILE A 61 -6.712 -6.284 0.661 1.00 0.11 H new ATOM 0 HG22 ILE A 61 -7.091 -7.938 1.198 1.00 0.11 H new ATOM 0 HG23 ILE A 61 -6.016 -7.679 -0.197 1.00 0.11 H new ATOM 0 HD11 ILE A 61 -7.794 -4.412 -2.450 1.00 0.11 H new ATOM 0 HD12 ILE A 61 -8.933 -4.729 -1.120 1.00 0.11 H new ATOM 0 HD13 ILE A 61 -7.181 -4.711 -0.806 1.00 0.11 H new ATOM 890 N THR A 62 -10.651 -8.265 -0.652 1.00 0.12 N ATOM 891 CA THR A 62 -12.051 -8.032 -0.915 1.00 0.12 C ATOM 892 C THR A 62 -12.456 -6.663 -0.380 1.00 0.13 C ATOM 893 O THR A 62 -11.989 -6.261 0.680 1.00 0.13 O ATOM 894 CB THR A 62 -12.909 -9.128 -0.260 1.00 0.14 C ATOM 895 OG1 THR A 62 -13.156 -10.195 -1.185 1.00 0.16 O ATOM 896 CG2 THR A 62 -14.213 -8.569 0.280 1.00 0.16 C ATOM 0 H THR A 62 -10.368 -8.011 0.294 1.00 0.12 H new ATOM 0 HA THR A 62 -12.216 -8.059 -1.992 1.00 0.12 H new ATOM 0 HB THR A 62 -12.349 -9.526 0.586 1.00 0.14 H new ATOM 0 HG1 THR A 62 -13.702 -10.884 -0.751 1.00 0.16 H new ATOM 0 HG21 THR A 62 -14.792 -9.372 0.735 1.00 0.16 H new ATOM 0 HG22 THR A 62 -13.999 -7.806 1.029 1.00 0.16 H new ATOM 0 HG23 THR A 62 -14.785 -8.127 -0.536 1.00 0.16 H new ATOM 904 N GLY A 63 -13.314 -5.972 -1.126 1.00 0.15 N ATOM 905 CA GLY A 63 -13.847 -4.680 -0.712 1.00 0.17 C ATOM 906 C GLY A 63 -12.820 -3.783 -0.056 1.00 0.17 C ATOM 907 O GLY A 63 -11.774 -3.486 -0.633 1.00 0.24 O ATOM 0 H GLY A 63 -13.658 -6.292 -2.032 1.00 0.15 H new ATOM 0 HA2 GLY A 63 -14.259 -4.170 -1.583 1.00 0.17 H new ATOM 0 HA3 GLY A 63 -14.672 -4.842 -0.018 1.00 0.17 H new ATOM 911 N ASP A 64 -13.126 -3.360 1.159 1.00 0.14 N ATOM 912 CA ASP A 64 -12.205 -2.574 1.957 1.00 0.14 C ATOM 913 C ASP A 64 -11.601 -3.421 3.068 1.00 0.11 C ATOM 914 O ASP A 64 -11.080 -2.903 4.051 1.00 0.13 O ATOM 915 CB ASP A 64 -12.896 -1.345 2.544 1.00 0.19 C ATOM 916 CG ASP A 64 -14.210 -1.657 3.230 1.00 1.30 C ATOM 917 OD1 ASP A 64 -14.266 -1.590 4.475 1.00 2.21 O ATOM 918 OD2 ASP A 64 -15.187 -2.005 2.530 1.00 1.57 O1- ATOM 0 H ASP A 64 -14.017 -3.552 1.617 1.00 0.14 H new ATOM 0 HA ASP A 64 -11.403 -2.233 1.302 1.00 0.14 H new ATOM 0 HB2 ASP A 64 -12.226 -0.869 3.260 1.00 0.19 H new ATOM 0 HB3 ASP A 64 -13.074 -0.624 1.747 1.00 0.19 H new ATOM 923 N GLN A 65 -11.673 -4.730 2.887 1.00 0.10 N ATOM 924 CA GLN A 65 -11.072 -5.701 3.783 1.00 0.10 C ATOM 925 C GLN A 65 -9.583 -5.824 3.555 1.00 0.08 C ATOM 926 O GLN A 65 -9.028 -6.908 3.582 1.00 0.09 O ATOM 927 CB GLN A 65 -11.733 -7.044 3.629 1.00 0.11 C ATOM 928 CG GLN A 65 -13.226 -6.915 3.567 1.00 0.16 C ATOM 929 CD GLN A 65 -13.834 -6.702 4.927 1.00 0.28 C ATOM 930 OE1 GLN A 65 -13.330 -7.194 5.936 1.00 0.66 O ATOM 931 NE2 GLN A 65 -14.905 -5.945 4.970 1.00 0.34 N ATOM 0 H GLN A 65 -12.160 -5.154 2.098 1.00 0.10 H new ATOM 0 HA GLN A 65 -11.226 -5.344 4.801 1.00 0.10 H new ATOM 0 HB2 GLN A 65 -11.370 -7.528 2.722 1.00 0.11 H new ATOM 0 HB3 GLN A 65 -11.456 -7.686 4.466 1.00 0.11 H new ATOM 0 HG2 GLN A 65 -13.490 -6.080 2.918 1.00 0.16 H new ATOM 0 HG3 GLN A 65 -13.649 -7.814 3.118 1.00 0.16 H new ATOM 0 HE21 GLN A 65 -15.290 -5.557 4.109 1.00 0.34 H new ATOM 0 HE22 GLN A 65 -15.352 -5.744 5.865 1.00 0.34 H new ATOM 940 N TYR A 66 -8.964 -4.734 3.241 1.00 0.07 N ATOM 941 CA TYR A 66 -7.542 -4.729 3.018 1.00 0.06 C ATOM 942 C TYR A 66 -6.862 -4.025 4.160 1.00 0.05 C ATOM 943 O TYR A 66 -7.497 -3.300 4.914 1.00 0.05 O ATOM 944 CB TYR A 66 -7.204 -4.008 1.734 1.00 0.07 C ATOM 945 CG TYR A 66 -7.607 -2.557 1.755 1.00 0.07 C ATOM 946 CD1 TYR A 66 -6.683 -1.570 2.060 1.00 0.08 C ATOM 947 CD2 TYR A 66 -8.911 -2.179 1.487 1.00 0.08 C ATOM 948 CE1 TYR A 66 -7.053 -0.245 2.095 1.00 0.09 C ATOM 949 CE2 TYR A 66 -9.287 -0.855 1.522 1.00 0.09 C ATOM 950 CZ TYR A 66 -8.358 0.103 1.828 1.00 0.09 C ATOM 951 OH TYR A 66 -8.733 1.420 1.856 1.00 0.11 O ATOM 0 H TYR A 66 -9.417 -3.827 3.131 1.00 0.07 H new ATOM 0 HA TYR A 66 -7.200 -5.761 2.947 1.00 0.06 H new ATOM 0 HB2 TYR A 66 -6.131 -4.080 1.554 1.00 0.07 H new ATOM 0 HB3 TYR A 66 -7.701 -4.506 0.901 1.00 0.07 H new ATOM 0 HD1 TYR A 66 -5.660 -1.844 2.273 1.00 0.08 H new ATOM 0 HD2 TYR A 66 -9.645 -2.934 1.247 1.00 0.08 H new ATOM 0 HE1 TYR A 66 -6.325 0.517 2.330 1.00 0.09 H new ATOM 0 HE2 TYR A 66 -10.308 -0.574 1.309 1.00 0.09 H new ATOM 0 HH TYR A 66 -7.956 1.986 1.666 1.00 0.11 H new ATOM 961 N ILE A 67 -5.577 -4.218 4.272 1.00 0.05 N ATOM 962 CA ILE A 67 -4.813 -3.512 5.258 1.00 0.05 C ATOM 963 C ILE A 67 -3.657 -2.816 4.595 1.00 0.05 C ATOM 964 O ILE A 67 -2.653 -3.417 4.267 1.00 0.06 O ATOM 965 CB ILE A 67 -4.286 -4.445 6.358 1.00 0.05 C ATOM 966 CG1 ILE A 67 -5.437 -5.051 7.139 1.00 0.06 C ATOM 967 CG2 ILE A 67 -3.328 -3.704 7.275 1.00 0.06 C ATOM 968 CD1 ILE A 67 -5.001 -6.066 8.157 1.00 0.07 C ATOM 0 H ILE A 67 -5.038 -4.860 3.691 1.00 0.05 H new ATOM 0 HA ILE A 67 -5.474 -2.785 5.729 1.00 0.05 H new ATOM 0 HB ILE A 67 -3.735 -5.259 5.888 1.00 0.05 H new ATOM 0 HG12 ILE A 67 -5.983 -4.254 7.643 1.00 0.06 H new ATOM 0 HG13 ILE A 67 -6.131 -5.522 6.442 1.00 0.06 H new ATOM 0 HG21 ILE A 67 -2.966 -4.382 8.048 1.00 0.06 H new ATOM 0 HG22 ILE A 67 -2.484 -3.331 6.695 1.00 0.06 H new ATOM 0 HG23 ILE A 67 -3.846 -2.866 7.742 1.00 0.06 H new ATOM 0 HD11 ILE A 67 -5.875 -6.458 8.678 1.00 0.07 H new ATOM 0 HD12 ILE A 67 -4.480 -6.883 7.657 1.00 0.07 H new ATOM 0 HD13 ILE A 67 -4.331 -5.595 8.876 1.00 0.07 H new ATOM 980 N LEU A 68 -3.805 -1.554 4.392 1.00 0.05 N ATOM 981 CA LEU A 68 -2.774 -0.780 3.758 1.00 0.06 C ATOM 982 C LEU A 68 -1.927 -0.124 4.844 1.00 0.07 C ATOM 983 O LEU A 68 -2.415 0.098 5.955 1.00 0.11 O ATOM 984 CB LEU A 68 -3.437 0.243 2.859 1.00 0.06 C ATOM 985 CG LEU A 68 -2.524 1.258 2.204 1.00 0.07 C ATOM 986 CD1 LEU A 68 -1.959 0.705 0.913 1.00 0.09 C ATOM 987 CD2 LEU A 68 -3.281 2.555 1.980 1.00 0.10 C ATOM 0 H LEU A 68 -4.635 -1.023 4.656 1.00 0.05 H new ATOM 0 HA LEU A 68 -2.118 -1.399 3.146 1.00 0.06 H new ATOM 0 HB2 LEU A 68 -3.974 -0.289 2.074 1.00 0.06 H new ATOM 0 HB3 LEU A 68 -4.181 0.782 3.446 1.00 0.06 H new ATOM 0 HG LEU A 68 -1.680 1.468 2.862 1.00 0.07 H new ATOM 0 HD11 LEU A 68 -1.305 1.447 0.455 1.00 0.09 H new ATOM 0 HD12 LEU A 68 -1.390 -0.200 1.123 1.00 0.09 H new ATOM 0 HD13 LEU A 68 -2.775 0.470 0.230 1.00 0.09 H new ATOM 0 HD21 LEU A 68 -2.622 3.284 1.509 1.00 0.10 H new ATOM 0 HD22 LEU A 68 -4.138 2.369 1.333 1.00 0.10 H new ATOM 0 HD23 LEU A 68 -3.627 2.944 2.937 1.00 0.10 H new ATOM 999 N GLU A 69 -0.661 0.142 4.556 1.00 0.07 N ATOM 1000 CA GLU A 69 0.224 0.767 5.532 1.00 0.08 C ATOM 1001 C GLU A 69 1.239 1.670 4.866 1.00 0.08 C ATOM 1002 O GLU A 69 1.693 1.402 3.755 1.00 0.09 O ATOM 1003 CB GLU A 69 0.959 -0.298 6.340 1.00 0.11 C ATOM 1004 CG GLU A 69 0.208 -0.758 7.574 1.00 0.17 C ATOM 1005 CD GLU A 69 0.285 0.246 8.708 1.00 0.42 C ATOM 1006 OE1 GLU A 69 0.974 -0.040 9.710 1.00 0.93 O ATOM 1007 OE2 GLU A 69 -0.333 1.328 8.603 1.00 0.76 O1- ATOM 0 H GLU A 69 -0.223 -0.064 3.658 1.00 0.07 H new ATOM 0 HA GLU A 69 -0.398 1.371 6.193 1.00 0.08 H new ATOM 0 HB2 GLU A 69 1.149 -1.159 5.700 1.00 0.11 H new ATOM 0 HB3 GLU A 69 1.930 0.095 6.642 1.00 0.11 H new ATOM 0 HG2 GLU A 69 -0.837 -0.931 7.316 1.00 0.17 H new ATOM 0 HG3 GLU A 69 0.616 -1.712 7.909 1.00 0.17 H new ATOM 1014 N ARG A 70 1.588 2.742 5.562 1.00 0.10 N ATOM 1015 CA ARG A 70 2.626 3.645 5.106 1.00 0.10 C ATOM 1016 C ARG A 70 3.980 3.019 5.339 1.00 0.09 C ATOM 1017 O ARG A 70 4.241 2.466 6.409 1.00 0.10 O ATOM 1018 CB ARG A 70 2.563 4.982 5.839 1.00 0.14 C ATOM 1019 CG ARG A 70 1.164 5.544 5.989 1.00 0.40 C ATOM 1020 CD ARG A 70 0.484 5.062 7.272 1.00 0.30 C ATOM 1021 NE ARG A 70 -0.679 5.874 7.625 1.00 0.84 N ATOM 1022 CZ ARG A 70 -1.672 5.460 8.417 1.00 1.21 C ATOM 1023 NH1 ARG A 70 -1.660 4.235 8.934 1.00 1.48 N1+ ATOM 1024 NH2 ARG A 70 -2.683 6.274 8.691 1.00 1.74 N ATOM 0 H ARG A 70 1.162 3.006 6.450 1.00 0.10 H new ATOM 0 HA ARG A 70 2.470 3.826 4.043 1.00 0.10 H new ATOM 0 HB2 ARG A 70 3.002 4.861 6.829 1.00 0.14 H new ATOM 0 HB3 ARG A 70 3.178 5.706 5.304 1.00 0.14 H new ATOM 0 HG2 ARG A 70 1.210 6.633 5.991 1.00 0.40 H new ATOM 0 HG3 ARG A 70 0.562 5.252 5.129 1.00 0.40 H new ATOM 0 HD2 ARG A 70 0.175 4.024 7.148 1.00 0.30 H new ATOM 0 HD3 ARG A 70 1.202 5.085 8.092 1.00 0.30 H new ATOM 0 HE ARG A 70 -0.736 6.818 7.242 1.00 0.84 H new ATOM 0 HH11 ARG A 70 -0.888 3.602 8.727 1.00 1.48 H new ATOM 0 HH12 ARG A 70 -2.423 3.929 9.538 1.00 1.48 H new ATOM 0 HH21 ARG A 70 -2.702 7.215 8.297 1.00 1.74 H new ATOM 0 HH22 ARG A 70 -3.442 5.959 9.296 1.00 1.74 H new ATOM 1038 N VAL A 71 4.834 3.107 4.341 1.00 0.07 N ATOM 1039 CA VAL A 71 6.094 2.408 4.369 1.00 0.07 C ATOM 1040 C VAL A 71 7.265 3.330 4.100 1.00 0.07 C ATOM 1041 O VAL A 71 8.098 3.522 4.970 1.00 0.08 O ATOM 1042 CB VAL A 71 6.084 1.284 3.333 1.00 0.08 C ATOM 1043 CG1 VAL A 71 7.366 0.478 3.376 1.00 0.07 C ATOM 1044 CG2 VAL A 71 4.876 0.394 3.546 1.00 0.11 C ATOM 0 H VAL A 71 4.674 3.659 3.498 1.00 0.07 H new ATOM 0 HA VAL A 71 6.217 1.997 5.371 1.00 0.07 H new ATOM 0 HB VAL A 71 6.019 1.733 2.342 1.00 0.08 H new ATOM 0 HG11 VAL A 71 7.324 -0.312 2.626 1.00 0.07 H new ATOM 0 HG12 VAL A 71 8.214 1.131 3.168 1.00 0.07 H new ATOM 0 HG13 VAL A 71 7.484 0.034 4.365 1.00 0.07 H new ATOM 0 HG21 VAL A 71 4.877 -0.404 2.804 1.00 0.11 H new ATOM 0 HG22 VAL A 71 4.915 -0.040 4.545 1.00 0.11 H new ATOM 0 HG23 VAL A 71 3.966 0.985 3.443 1.00 0.11 H new ATOM 1054 N ASN A 72 7.329 3.908 2.912 1.00 0.06 N ATOM 1055 CA ASN A 72 8.530 4.627 2.513 1.00 0.07 C ATOM 1056 C ASN A 72 8.215 5.843 1.666 1.00 0.07 C ATOM 1057 O ASN A 72 7.133 5.953 1.098 1.00 0.08 O ATOM 1058 CB ASN A 72 9.423 3.681 1.736 1.00 0.10 C ATOM 1059 CG ASN A 72 10.828 4.194 1.496 1.00 0.12 C ATOM 1060 OD1 ASN A 72 11.073 4.991 0.600 1.00 0.13 O ATOM 1061 ND2 ASN A 72 11.768 3.693 2.272 1.00 0.14 N ATOM 0 H ASN A 72 6.581 3.896 2.219 1.00 0.06 H new ATOM 0 HA ASN A 72 9.031 4.983 3.413 1.00 0.07 H new ATOM 0 HB2 ASN A 72 9.483 2.735 2.274 1.00 0.10 H new ATOM 0 HB3 ASN A 72 8.957 3.471 0.773 1.00 0.10 H new ATOM 0 HD21 ASN A 72 12.741 3.967 2.137 1.00 0.14 H new ATOM 0 HD22 ASN A 72 11.522 3.031 3.008 1.00 0.14 H new ATOM 1068 N ILE A 73 9.170 6.753 1.595 1.00 0.08 N ATOM 1069 CA ILE A 73 9.085 7.866 0.657 1.00 0.08 C ATOM 1070 C ILE A 73 10.292 7.850 -0.274 1.00 0.09 C ATOM 1071 O ILE A 73 11.421 8.077 0.155 1.00 0.11 O ATOM 1072 CB ILE A 73 8.994 9.254 1.339 1.00 0.08 C ATOM 1073 CG1 ILE A 73 7.674 9.428 2.088 1.00 0.08 C ATOM 1074 CG2 ILE A 73 9.126 10.353 0.300 1.00 0.09 C ATOM 1075 CD1 ILE A 73 7.582 10.735 2.853 1.00 0.10 C ATOM 0 H ILE A 73 10.011 6.747 2.172 1.00 0.08 H new ATOM 0 HA ILE A 73 8.157 7.723 0.103 1.00 0.08 H new ATOM 0 HB ILE A 73 9.810 9.320 2.059 1.00 0.08 H new ATOM 0 HG12 ILE A 73 6.851 9.374 1.375 1.00 0.08 H new ATOM 0 HG13 ILE A 73 7.548 8.599 2.784 1.00 0.08 H new ATOM 0 HG21 ILE A 73 9.061 11.325 0.788 1.00 0.09 H new ATOM 0 HG22 ILE A 73 10.088 10.264 -0.204 1.00 0.09 H new ATOM 0 HG23 ILE A 73 8.324 10.260 -0.432 1.00 0.09 H new ATOM 0 HD11 ILE A 73 6.619 10.792 3.361 1.00 0.10 H new ATOM 0 HD12 ILE A 73 8.384 10.783 3.589 1.00 0.10 H new ATOM 0 HD13 ILE A 73 7.676 11.570 2.159 1.00 0.10 H new ATOM 1087 N VAL A 74 10.043 7.557 -1.539 1.00 0.10 N ATOM 1088 CA VAL A 74 11.096 7.567 -2.553 1.00 0.13 C ATOM 1089 C VAL A 74 10.785 8.626 -3.591 1.00 0.15 C ATOM 1090 O VAL A 74 9.810 8.495 -4.322 1.00 0.15 O ATOM 1091 CB VAL A 74 11.244 6.202 -3.266 1.00 0.15 C ATOM 1092 CG1 VAL A 74 12.198 6.309 -4.446 1.00 0.18 C ATOM 1093 CG2 VAL A 74 11.730 5.137 -2.303 1.00 0.24 C ATOM 0 H VAL A 74 9.120 7.308 -1.894 1.00 0.10 H new ATOM 0 HA VAL A 74 12.034 7.782 -2.042 1.00 0.13 H new ATOM 0 HB VAL A 74 10.260 5.913 -3.636 1.00 0.15 H new ATOM 0 HG11 VAL A 74 12.286 5.337 -4.932 1.00 0.18 H new ATOM 0 HG12 VAL A 74 11.814 7.038 -5.160 1.00 0.18 H new ATOM 0 HG13 VAL A 74 13.179 6.629 -4.093 1.00 0.18 H new ATOM 0 HG21 VAL A 74 11.826 4.187 -2.829 1.00 0.24 H new ATOM 0 HG22 VAL A 74 12.700 5.427 -1.899 1.00 0.24 H new ATOM 0 HG23 VAL A 74 11.014 5.030 -1.488 1.00 0.24 H new ATOM 1103 N ASN A 75 11.590 9.688 -3.625 1.00 0.20 N ATOM 1104 CA ASN A 75 11.369 10.809 -4.547 1.00 0.25 C ATOM 1105 C ASN A 75 10.060 11.536 -4.198 1.00 0.20 C ATOM 1106 O ASN A 75 9.646 12.487 -4.860 1.00 0.25 O ATOM 1107 CB ASN A 75 11.339 10.252 -5.988 1.00 0.29 C ATOM 1108 CG ASN A 75 10.652 11.144 -7.003 1.00 0.33 C ATOM 1109 OD1 ASN A 75 11.297 11.912 -7.711 1.00 0.39 O ATOM 1110 ND2 ASN A 75 9.327 11.067 -7.055 1.00 0.31 N ATOM 0 H ASN A 75 12.406 9.798 -3.023 1.00 0.20 H new ATOM 0 HA ASN A 75 12.175 11.538 -4.460 1.00 0.25 H new ATOM 0 HB2 ASN A 75 12.364 10.076 -6.315 1.00 0.29 H new ATOM 0 HB3 ASN A 75 10.837 9.284 -5.978 1.00 0.29 H new ATOM 0 HD21 ASN A 75 8.807 11.660 -7.701 1.00 0.31 H new ATOM 0 HD22 ASN A 75 8.830 10.415 -6.449 1.00 0.31 H new ATOM 1117 N GLY A 76 9.476 11.165 -3.078 1.00 0.13 N ATOM 1118 CA GLY A 76 8.157 11.653 -2.756 1.00 0.10 C ATOM 1119 C GLY A 76 7.062 10.779 -3.346 1.00 0.09 C ATOM 1120 O GLY A 76 5.912 11.186 -3.413 1.00 0.11 O ATOM 0 H GLY A 76 9.887 10.537 -2.387 1.00 0.13 H new ATOM 0 HA2 GLY A 76 8.042 11.696 -1.673 1.00 0.10 H new ATOM 0 HA3 GLY A 76 8.047 12.671 -3.129 1.00 0.10 H new ATOM 1124 N ASN A 77 7.419 9.569 -3.754 1.00 0.09 N ATOM 1125 CA ASN A 77 6.473 8.632 -4.363 1.00 0.10 C ATOM 1126 C ASN A 77 5.878 7.703 -3.320 1.00 0.09 C ATOM 1127 O ASN A 77 5.685 6.524 -3.591 1.00 0.10 O ATOM 1128 CB ASN A 77 7.135 7.811 -5.469 1.00 0.14 C ATOM 1129 CG ASN A 77 7.285 8.583 -6.762 1.00 0.23 C ATOM 1130 OD1 ASN A 77 6.488 9.466 -7.072 1.00 0.38 O ATOM 1131 ND2 ASN A 77 8.307 8.254 -7.527 1.00 0.36 N ATOM 0 H ASN A 77 8.369 9.206 -3.674 1.00 0.09 H new ATOM 0 HA ASN A 77 5.672 9.225 -4.805 1.00 0.10 H new ATOM 0 HB2 ASN A 77 8.118 7.481 -5.132 1.00 0.14 H new ATOM 0 HB3 ASN A 77 6.544 6.914 -5.653 1.00 0.14 H new ATOM 0 HD21 ASN A 77 8.458 8.738 -8.412 1.00 0.36 H new ATOM 0 HD22 ASN A 77 8.946 7.515 -7.234 1.00 0.36 H new ATOM 1138 N GLY A 78 5.615 8.268 -2.137 1.00 0.07 N ATOM 1139 CA GLY A 78 5.230 7.512 -0.937 1.00 0.07 C ATOM 1140 C GLY A 78 4.646 6.140 -1.200 1.00 0.06 C ATOM 1141 O GLY A 78 3.579 5.999 -1.799 1.00 0.08 O ATOM 0 H GLY A 78 5.664 9.275 -1.982 1.00 0.07 H new ATOM 0 HA2 GLY A 78 6.108 7.400 -0.300 1.00 0.07 H new ATOM 0 HA3 GLY A 78 4.502 8.098 -0.376 1.00 0.07 H new ATOM 1145 N TYR A 79 5.353 5.134 -0.725 1.00 0.06 N ATOM 1146 CA TYR A 79 5.001 3.750 -0.982 1.00 0.05 C ATOM 1147 C TYR A 79 4.170 3.192 0.148 1.00 0.06 C ATOM 1148 O TYR A 79 4.449 3.420 1.331 1.00 0.06 O ATOM 1149 CB TYR A 79 6.251 2.892 -1.192 1.00 0.06 C ATOM 1150 CG TYR A 79 6.928 3.124 -2.528 1.00 0.07 C ATOM 1151 CD1 TYR A 79 6.983 2.118 -3.486 1.00 0.09 C ATOM 1152 CD2 TYR A 79 7.508 4.348 -2.835 1.00 0.11 C ATOM 1153 CE1 TYR A 79 7.589 2.321 -4.696 1.00 0.13 C ATOM 1154 CE2 TYR A 79 8.116 4.566 -4.053 1.00 0.15 C ATOM 1155 CZ TYR A 79 8.157 3.546 -4.984 1.00 0.15 C ATOM 1156 OH TYR A 79 8.768 3.751 -6.200 1.00 0.19 O ATOM 0 H TYR A 79 6.187 5.252 -0.150 1.00 0.06 H new ATOM 0 HA TYR A 79 4.410 3.723 -1.898 1.00 0.05 H new ATOM 0 HB2 TYR A 79 6.962 3.099 -0.393 1.00 0.06 H new ATOM 0 HB3 TYR A 79 5.977 1.840 -1.110 1.00 0.06 H new ATOM 0 HD1 TYR A 79 6.539 1.157 -3.271 1.00 0.09 H new ATOM 0 HD2 TYR A 79 7.482 5.144 -2.106 1.00 0.11 H new ATOM 0 HE1 TYR A 79 7.623 1.524 -5.424 1.00 0.13 H new ATOM 0 HE2 TYR A 79 8.557 5.526 -4.278 1.00 0.15 H new ATOM 0 HH TYR A 79 9.488 3.097 -6.319 1.00 0.19 H new ATOM 1166 N TYR A 80 3.150 2.467 -0.238 1.00 0.07 N ATOM 1167 CA TYR A 80 2.215 1.884 0.690 1.00 0.07 C ATOM 1168 C TYR A 80 2.154 0.390 0.480 1.00 0.09 C ATOM 1169 O TYR A 80 2.135 -0.076 -0.652 1.00 0.13 O ATOM 1170 CB TYR A 80 0.834 2.484 0.469 1.00 0.07 C ATOM 1171 CG TYR A 80 0.669 3.888 0.991 1.00 0.07 C ATOM 1172 CD1 TYR A 80 1.178 4.959 0.275 1.00 0.09 C ATOM 1173 CD2 TYR A 80 0.026 4.146 2.200 1.00 0.09 C ATOM 1174 CE1 TYR A 80 1.054 6.249 0.745 1.00 0.11 C ATOM 1175 CE2 TYR A 80 -0.105 5.436 2.671 1.00 0.11 C ATOM 1176 CZ TYR A 80 0.317 6.461 1.965 1.00 0.11 C ATOM 1177 OH TYR A 80 0.303 7.769 2.403 1.00 0.16 O ATOM 0 H TYR A 80 2.944 2.263 -1.216 1.00 0.07 H new ATOM 0 HA TYR A 80 2.543 2.093 1.708 1.00 0.07 H new ATOM 0 HB2 TYR A 80 0.617 2.480 -0.599 1.00 0.07 H new ATOM 0 HB3 TYR A 80 0.093 1.843 0.947 1.00 0.07 H new ATOM 0 HD1 TYR A 80 1.679 4.781 -0.665 1.00 0.09 H new ATOM 0 HD2 TYR A 80 -0.375 3.325 2.776 1.00 0.09 H new ATOM 0 HE1 TYR A 80 1.497 7.078 0.213 1.00 0.11 H new ATOM 0 HE2 TYR A 80 -0.561 5.606 3.635 1.00 0.11 H new ATOM 0 HH TYR A 80 -0.049 8.347 1.695 1.00 0.16 H new ATOM 1187 N ASN A 81 2.120 -0.365 1.553 1.00 0.10 N ATOM 1188 CA ASN A 81 1.974 -1.805 1.417 1.00 0.14 C ATOM 1189 C ASN A 81 0.524 -2.163 1.572 1.00 0.08 C ATOM 1190 O ASN A 81 -0.182 -1.596 2.402 1.00 0.11 O ATOM 1191 CB ASN A 81 2.780 -2.612 2.445 1.00 0.32 C ATOM 1192 CG ASN A 81 4.276 -2.453 2.322 1.00 0.60 C ATOM 1193 OD1 ASN A 81 4.794 -2.085 1.277 1.00 1.56 O ATOM 1194 ND2 ASN A 81 4.988 -2.774 3.389 1.00 0.33 N ATOM 0 H ASN A 81 2.189 -0.022 2.511 1.00 0.10 H new ATOM 0 HA ASN A 81 2.361 -2.063 0.431 1.00 0.14 H new ATOM 0 HB2 ASN A 81 2.475 -2.310 3.447 1.00 0.32 H new ATOM 0 HB3 ASN A 81 2.528 -3.667 2.340 1.00 0.32 H new ATOM 0 HD21 ASN A 81 6.006 -2.719 3.358 1.00 0.33 H new ATOM 0 HD22 ASN A 81 4.519 -3.077 4.243 1.00 0.33 H new ATOM 1201 N LEU A 82 0.089 -3.099 0.774 1.00 0.06 N ATOM 1202 CA LEU A 82 -1.254 -3.599 0.859 1.00 0.06 C ATOM 1203 C LEU A 82 -1.202 -4.970 1.490 1.00 0.06 C ATOM 1204 O LEU A 82 -0.427 -5.831 1.078 1.00 0.07 O ATOM 1205 CB LEU A 82 -1.862 -3.681 -0.534 1.00 0.08 C ATOM 1206 CG LEU A 82 -3.315 -3.203 -0.669 1.00 0.11 C ATOM 1207 CD1 LEU A 82 -4.123 -4.180 -1.511 1.00 0.19 C ATOM 1208 CD2 LEU A 82 -3.966 -3.008 0.693 1.00 0.08 C ATOM 0 H LEU A 82 0.656 -3.536 0.047 1.00 0.06 H new ATOM 0 HA LEU A 82 -1.872 -2.934 1.462 1.00 0.06 H new ATOM 0 HB2 LEU A 82 -1.244 -3.094 -1.213 1.00 0.08 H new ATOM 0 HB3 LEU A 82 -1.809 -4.716 -0.870 1.00 0.08 H new ATOM 0 HG LEU A 82 -3.301 -2.236 -1.172 1.00 0.11 H new ATOM 0 HD11 LEU A 82 -5.150 -3.825 -1.596 1.00 0.19 H new ATOM 0 HD12 LEU A 82 -3.682 -4.255 -2.505 1.00 0.19 H new ATOM 0 HD13 LEU A 82 -4.117 -5.161 -1.036 1.00 0.19 H new ATOM 0 HD21 LEU A 82 -4.994 -2.669 0.560 1.00 0.08 H new ATOM 0 HD22 LEU A 82 -3.963 -3.953 1.236 1.00 0.08 H new ATOM 0 HD23 LEU A 82 -3.409 -2.262 1.259 1.00 0.08 H new ATOM 1220 N TYR A 83 -1.986 -5.134 2.517 1.00 0.06 N ATOM 1221 CA TYR A 83 -2.028 -6.354 3.284 1.00 0.06 C ATOM 1222 C TYR A 83 -3.430 -6.918 3.270 1.00 0.06 C ATOM 1223 O TYR A 83 -4.396 -6.218 2.974 1.00 0.05 O ATOM 1224 CB TYR A 83 -1.607 -6.062 4.726 1.00 0.06 C ATOM 1225 CG TYR A 83 -0.177 -5.611 4.868 1.00 0.09 C ATOM 1226 CD1 TYR A 83 0.871 -6.478 4.633 1.00 0.11 C ATOM 1227 CD2 TYR A 83 0.120 -4.307 5.240 1.00 0.11 C ATOM 1228 CE1 TYR A 83 2.179 -6.063 4.762 1.00 0.14 C ATOM 1229 CE2 TYR A 83 1.425 -3.886 5.373 1.00 0.15 C ATOM 1230 CZ TYR A 83 2.449 -4.767 5.136 1.00 0.16 C ATOM 1231 OH TYR A 83 3.751 -4.348 5.274 1.00 0.19 O ATOM 0 H TYR A 83 -2.626 -4.414 2.853 1.00 0.06 H new ATOM 0 HA TYR A 83 -1.345 -7.081 2.845 1.00 0.06 H new ATOM 0 HB2 TYR A 83 -2.262 -5.293 5.136 1.00 0.06 H new ATOM 0 HB3 TYR A 83 -1.755 -6.960 5.326 1.00 0.06 H new ATOM 0 HD1 TYR A 83 0.663 -7.497 4.344 1.00 0.11 H new ATOM 0 HD2 TYR A 83 -0.685 -3.612 5.428 1.00 0.11 H new ATOM 0 HE1 TYR A 83 2.988 -6.752 4.570 1.00 0.14 H new ATOM 0 HE2 TYR A 83 1.640 -2.868 5.662 1.00 0.15 H new ATOM 0 HH TYR A 83 3.796 -3.634 5.943 1.00 0.19 H new ATOM 1241 N LYS A 84 -3.519 -8.190 3.557 1.00 0.07 N ATOM 1242 CA LYS A 84 -4.787 -8.847 3.743 1.00 0.08 C ATOM 1243 C LYS A 84 -5.311 -8.523 5.129 1.00 0.08 C ATOM 1244 O LYS A 84 -4.549 -8.032 5.954 1.00 0.08 O ATOM 1245 CB LYS A 84 -4.587 -10.347 3.580 1.00 0.09 C ATOM 1246 CG LYS A 84 -4.291 -10.752 2.160 1.00 0.10 C ATOM 1247 CD LYS A 84 -4.100 -12.252 2.027 1.00 0.11 C ATOM 1248 CE LYS A 84 -4.155 -12.681 0.581 1.00 0.17 C ATOM 1249 NZ LYS A 84 -4.163 -14.158 0.431 1.00 0.57 N1+ ATOM 0 H LYS A 84 -2.711 -8.802 3.669 1.00 0.07 H new ATOM 0 HA LYS A 84 -5.512 -8.503 3.006 1.00 0.08 H new ATOM 0 HB2 LYS A 84 -3.768 -10.670 4.222 1.00 0.09 H new ATOM 0 HB3 LYS A 84 -5.483 -10.866 3.921 1.00 0.09 H new ATOM 0 HG2 LYS A 84 -5.108 -10.431 1.513 1.00 0.10 H new ATOM 0 HG3 LYS A 84 -3.392 -10.240 1.816 1.00 0.10 H new ATOM 0 HD2 LYS A 84 -3.141 -12.539 2.458 1.00 0.11 H new ATOM 0 HD3 LYS A 84 -4.873 -12.772 2.593 1.00 0.11 H new ATOM 0 HE2 LYS A 84 -5.049 -12.266 0.115 1.00 0.17 H new ATOM 0 HE3 LYS A 84 -3.297 -12.269 0.049 1.00 0.17 H new ATOM 0 HZ1 LYS A 84 -4.201 -14.404 -0.579 1.00 0.57 H new ATOM 0 HZ2 LYS A 84 -3.298 -14.554 0.851 1.00 0.57 H new ATOM 0 HZ3 LYS A 84 -4.995 -14.552 0.915 1.00 0.57 H new ATOM 1263 N PRO A 85 -6.593 -8.783 5.418 1.00 0.08 N ATOM 1264 CA PRO A 85 -7.147 -8.565 6.756 1.00 0.09 C ATOM 1265 C PRO A 85 -6.372 -9.310 7.825 1.00 0.10 C ATOM 1266 O PRO A 85 -6.433 -8.976 9.009 1.00 0.12 O ATOM 1267 CB PRO A 85 -8.555 -9.127 6.685 1.00 0.10 C ATOM 1268 CG PRO A 85 -8.899 -9.207 5.236 1.00 0.11 C ATOM 1269 CD PRO A 85 -7.603 -9.266 4.465 1.00 0.10 C ATOM 0 HA PRO A 85 -7.107 -7.509 7.023 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.605 -10.111 7.152 1.00 0.10 H new ATOM 0 HB3 PRO A 85 -9.257 -8.485 7.217 1.00 0.10 H new ATOM 0 HG2 PRO A 85 -9.506 -10.090 5.034 1.00 0.11 H new ATOM 0 HG3 PRO A 85 -9.486 -8.340 4.933 1.00 0.11 H new ATOM 0 HD2 PRO A 85 -7.383 -10.281 4.132 1.00 0.10 H new ATOM 0 HD3 PRO A 85 -7.641 -8.640 3.574 1.00 0.10 H new ATOM 1277 N ASP A 86 -5.641 -10.325 7.398 1.00 0.11 N ATOM 1278 CA ASP A 86 -4.877 -11.134 8.297 1.00 0.13 C ATOM 1279 C ASP A 86 -3.453 -10.632 8.364 1.00 0.11 C ATOM 1280 O ASP A 86 -2.623 -11.178 9.082 1.00 0.16 O ATOM 1281 CB ASP A 86 -4.904 -12.571 7.831 1.00 0.20 C ATOM 1282 CG ASP A 86 -3.972 -12.844 6.669 1.00 1.25 C ATOM 1283 OD1 ASP A 86 -2.834 -13.292 6.907 1.00 1.85 O ATOM 1284 OD2 ASP A 86 -4.371 -12.617 5.514 1.00 1.93 O1- ATOM 0 H ASP A 86 -5.568 -10.601 6.419 1.00 0.11 H new ATOM 0 HA ASP A 86 -5.313 -11.074 9.294 1.00 0.13 H new ATOM 0 HB2 ASP A 86 -4.634 -13.220 8.664 1.00 0.20 H new ATOM 0 HB3 ASP A 86 -5.922 -12.832 7.540 1.00 0.20 H new ATOM 1289 N GLY A 87 -3.189 -9.576 7.613 1.00 0.09 N ATOM 1290 CA GLY A 87 -1.893 -8.955 7.628 1.00 0.10 C ATOM 1291 C GLY A 87 -0.970 -9.494 6.557 1.00 0.10 C ATOM 1292 O GLY A 87 0.155 -9.029 6.419 1.00 0.11 O ATOM 0 H GLY A 87 -3.863 -9.136 6.986 1.00 0.09 H new ATOM 0 HA2 GLY A 87 -2.009 -7.880 7.493 1.00 0.10 H new ATOM 0 HA3 GLY A 87 -1.435 -9.106 8.605 1.00 0.10 H new ATOM 1296 N THR A 88 -1.441 -10.448 5.772 1.00 0.10 N ATOM 1297 CA THR A 88 -0.617 -11.020 4.724 1.00 0.10 C ATOM 1298 C THR A 88 -0.243 -9.978 3.675 1.00 0.08 C ATOM 1299 O THR A 88 -1.112 -9.361 3.059 1.00 0.09 O ATOM 1300 CB THR A 88 -1.316 -12.209 4.052 1.00 0.13 C ATOM 1301 OG1 THR A 88 -1.239 -13.367 4.891 1.00 0.17 O ATOM 1302 CG2 THR A 88 -0.687 -12.505 2.704 1.00 0.13 C ATOM 0 H THR A 88 -2.381 -10.839 5.840 1.00 0.10 H new ATOM 0 HA THR A 88 0.298 -11.376 5.198 1.00 0.10 H new ATOM 0 HB THR A 88 -2.364 -11.950 3.899 1.00 0.13 H new ATOM 0 HG1 THR A 88 -1.574 -13.146 5.785 1.00 0.17 H new ATOM 0 HG21 THR A 88 -1.196 -13.351 2.243 1.00 0.13 H new ATOM 0 HG22 THR A 88 -0.779 -11.631 2.060 1.00 0.13 H new ATOM 0 HG23 THR A 88 0.367 -12.746 2.840 1.00 0.13 H new ATOM 1310 N TYR A 89 1.059 -9.770 3.506 1.00 0.08 N ATOM 1311 CA TYR A 89 1.573 -8.884 2.474 1.00 0.08 C ATOM 1312 C TYR A 89 1.092 -9.283 1.095 1.00 0.08 C ATOM 1313 O TYR A 89 1.170 -10.443 0.687 1.00 0.11 O ATOM 1314 CB TYR A 89 3.096 -8.882 2.518 1.00 0.09 C ATOM 1315 CG TYR A 89 3.745 -8.082 1.410 1.00 0.09 C ATOM 1316 CD1 TYR A 89 4.212 -8.713 0.266 1.00 0.11 C ATOM 1317 CD2 TYR A 89 3.888 -6.701 1.506 1.00 0.12 C ATOM 1318 CE1 TYR A 89 4.803 -7.997 -0.752 1.00 0.14 C ATOM 1319 CE2 TYR A 89 4.481 -5.978 0.488 1.00 0.15 C ATOM 1320 CZ TYR A 89 4.937 -6.634 -0.637 1.00 0.16 C ATOM 1321 OH TYR A 89 5.525 -5.924 -1.656 1.00 0.20 O ATOM 0 H TYR A 89 1.781 -10.209 4.078 1.00 0.08 H new ATOM 0 HA TYR A 89 1.195 -7.881 2.672 1.00 0.08 H new ATOM 0 HB2 TYR A 89 3.420 -8.482 3.479 1.00 0.09 H new ATOM 0 HB3 TYR A 89 3.452 -9.911 2.465 1.00 0.09 H new ATOM 0 HD1 TYR A 89 4.110 -9.784 0.172 1.00 0.11 H new ATOM 0 HD2 TYR A 89 3.531 -6.188 2.387 1.00 0.12 H new ATOM 0 HE1 TYR A 89 5.159 -8.504 -1.636 1.00 0.14 H new ATOM 0 HE2 TYR A 89 4.587 -4.907 0.573 1.00 0.15 H new ATOM 0 HH TYR A 89 5.626 -4.987 -1.386 1.00 0.20 H new ATOM 1331 N LEU A 90 0.573 -8.293 0.407 1.00 0.07 N ATOM 1332 CA LEU A 90 0.110 -8.435 -0.952 1.00 0.07 C ATOM 1333 C LEU A 90 1.083 -7.760 -1.909 1.00 0.06 C ATOM 1334 O LEU A 90 1.623 -8.398 -2.810 1.00 0.08 O ATOM 1335 CB LEU A 90 -1.263 -7.798 -1.048 1.00 0.08 C ATOM 1336 CG LEU A 90 -2.313 -8.435 -0.147 1.00 0.09 C ATOM 1337 CD1 LEU A 90 -3.525 -7.538 -0.042 1.00 0.12 C ATOM 1338 CD2 LEU A 90 -2.705 -9.804 -0.670 1.00 0.12 C ATOM 0 H LEU A 90 0.459 -7.352 0.783 1.00 0.07 H new ATOM 0 HA LEU A 90 0.050 -9.488 -1.226 1.00 0.07 H new ATOM 0 HB2 LEU A 90 -1.179 -6.741 -0.797 1.00 0.08 H new ATOM 0 HB3 LEU A 90 -1.605 -7.854 -2.081 1.00 0.08 H new ATOM 0 HG LEU A 90 -1.887 -8.560 0.848 1.00 0.09 H new ATOM 0 HD11 LEU A 90 -4.268 -8.005 0.605 1.00 0.12 H new ATOM 0 HD12 LEU A 90 -3.231 -6.576 0.378 1.00 0.12 H new ATOM 0 HD13 LEU A 90 -3.952 -7.385 -1.033 1.00 0.12 H new ATOM 0 HD21 LEU A 90 -3.456 -10.243 -0.013 1.00 0.12 H new ATOM 0 HD22 LEU A 90 -3.115 -9.706 -1.675 1.00 0.12 H new ATOM 0 HD23 LEU A 90 -1.826 -10.448 -0.698 1.00 0.12 H new ATOM 1350 N PHE A 91 1.312 -6.465 -1.701 1.00 0.06 N ATOM 1351 CA PHE A 91 2.268 -5.715 -2.517 1.00 0.06 C ATOM 1352 C PHE A 91 2.598 -4.359 -1.923 1.00 0.05 C ATOM 1353 O PHE A 91 1.990 -3.921 -0.950 1.00 0.07 O ATOM 1354 CB PHE A 91 1.765 -5.507 -3.949 1.00 0.07 C ATOM 1355 CG PHE A 91 0.367 -4.972 -4.073 1.00 0.08 C ATOM 1356 CD1 PHE A 91 -0.705 -5.826 -4.299 1.00 0.12 C ATOM 1357 CD2 PHE A 91 0.120 -3.618 -3.938 1.00 0.08 C ATOM 1358 CE1 PHE A 91 -1.982 -5.337 -4.386 1.00 0.15 C ATOM 1359 CE2 PHE A 91 -1.160 -3.123 -4.029 1.00 0.10 C ATOM 1360 CZ PHE A 91 -2.208 -3.986 -4.350 1.00 0.13 C ATOM 0 H PHE A 91 0.851 -5.914 -0.977 1.00 0.06 H new ATOM 0 HA PHE A 91 3.170 -6.326 -2.534 1.00 0.06 H new ATOM 0 HB2 PHE A 91 2.444 -4.822 -4.458 1.00 0.07 H new ATOM 0 HB3 PHE A 91 1.819 -6.460 -4.476 1.00 0.07 H new ATOM 0 HD1 PHE A 91 -0.530 -6.886 -4.407 1.00 0.12 H new ATOM 0 HD2 PHE A 91 0.942 -2.941 -3.759 1.00 0.08 H new ATOM 0 HE1 PHE A 91 -2.814 -6.019 -4.483 1.00 0.15 H new ATOM 0 HE2 PHE A 91 -1.352 -2.075 -3.853 1.00 0.10 H new ATOM 0 HZ PHE A 91 -3.190 -3.592 -4.568 1.00 0.13 H new ATOM 1370 N THR A 92 3.578 -3.718 -2.536 1.00 0.05 N ATOM 1371 CA THR A 92 3.947 -2.353 -2.222 1.00 0.05 C ATOM 1372 C THR A 92 3.574 -1.470 -3.391 1.00 0.05 C ATOM 1373 O THR A 92 4.030 -1.682 -4.507 1.00 0.09 O ATOM 1374 CB THR A 92 5.450 -2.205 -1.958 1.00 0.08 C ATOM 1375 OG1 THR A 92 5.853 -3.001 -0.838 1.00 0.14 O ATOM 1376 CG2 THR A 92 5.799 -0.745 -1.725 1.00 0.09 C ATOM 0 H THR A 92 4.145 -4.137 -3.273 1.00 0.05 H new ATOM 0 HA THR A 92 3.416 -2.063 -1.315 1.00 0.05 H new ATOM 0 HB THR A 92 5.990 -2.560 -2.836 1.00 0.08 H new ATOM 0 HG1 THR A 92 5.359 -2.717 -0.040 1.00 0.14 H new ATOM 0 HG21 THR A 92 6.869 -0.652 -1.539 1.00 0.09 H new ATOM 0 HG22 THR A 92 5.532 -0.162 -2.606 1.00 0.09 H new ATOM 0 HG23 THR A 92 5.247 -0.372 -0.863 1.00 0.09 H new ATOM 1384 N LEU A 93 2.741 -0.498 -3.144 1.00 0.05 N ATOM 1385 CA LEU A 93 2.261 0.353 -4.196 1.00 0.05 C ATOM 1386 C LEU A 93 2.840 1.743 -4.071 1.00 0.06 C ATOM 1387 O LEU A 93 3.376 2.127 -3.031 1.00 0.06 O ATOM 1388 CB LEU A 93 0.747 0.397 -4.163 1.00 0.05 C ATOM 1389 CG LEU A 93 0.161 1.168 -2.993 1.00 0.05 C ATOM 1390 CD1 LEU A 93 -0.199 2.594 -3.406 1.00 0.06 C ATOM 1391 CD2 LEU A 93 -1.040 0.424 -2.451 1.00 0.06 C ATOM 0 H LEU A 93 2.379 -0.275 -2.217 1.00 0.05 H new ATOM 0 HA LEU A 93 2.583 -0.055 -5.154 1.00 0.05 H new ATOM 0 HB2 LEU A 93 0.390 0.844 -5.091 1.00 0.05 H new ATOM 0 HB3 LEU A 93 0.368 -0.624 -4.134 1.00 0.05 H new ATOM 0 HG LEU A 93 0.907 1.244 -2.202 1.00 0.05 H new ATOM 0 HD11 LEU A 93 -0.617 3.126 -2.551 1.00 0.06 H new ATOM 0 HD12 LEU A 93 0.697 3.110 -3.752 1.00 0.06 H new ATOM 0 HD13 LEU A 93 -0.934 2.565 -4.210 1.00 0.06 H new ATOM 0 HD21 LEU A 93 -1.462 0.976 -1.611 1.00 0.06 H new ATOM 0 HD22 LEU A 93 -1.791 0.326 -3.235 1.00 0.06 H new ATOM 0 HD23 LEU A 93 -0.733 -0.567 -2.116 1.00 0.06 H new ATOM 1403 N ASN A 94 2.714 2.475 -5.144 1.00 0.06 N ATOM 1404 CA ASN A 94 3.125 3.855 -5.205 1.00 0.08 C ATOM 1405 C ASN A 94 1.872 4.691 -5.124 1.00 0.09 C ATOM 1406 O ASN A 94 0.943 4.472 -5.884 1.00 0.15 O ATOM 1407 CB ASN A 94 3.825 4.124 -6.536 1.00 0.09 C ATOM 1408 CG ASN A 94 4.518 5.471 -6.596 1.00 0.19 C ATOM 1409 OD1 ASN A 94 4.069 6.450 -6.004 1.00 1.15 O ATOM 1410 ND2 ASN A 94 5.619 5.531 -7.326 1.00 0.87 N ATOM 0 H ASN A 94 2.317 2.126 -6.016 1.00 0.06 H new ATOM 0 HA ASN A 94 3.813 4.093 -4.394 1.00 0.08 H new ATOM 0 HB2 ASN A 94 4.559 3.339 -6.716 1.00 0.09 H new ATOM 0 HB3 ASN A 94 3.092 4.066 -7.341 1.00 0.09 H new ATOM 0 HD21 ASN A 94 6.126 6.412 -7.412 1.00 0.87 H new ATOM 0 HD22 ASN A 94 5.961 4.697 -7.803 1.00 0.87 H new ATOM 1417 N CYS A 95 1.820 5.621 -4.204 1.00 0.07 N ATOM 1418 CA CYS A 95 0.648 6.442 -4.058 1.00 0.07 C ATOM 1419 C CYS A 95 0.610 7.457 -5.187 1.00 0.08 C ATOM 1420 O CYS A 95 -0.429 7.698 -5.788 1.00 0.10 O ATOM 1421 CB CYS A 95 0.675 7.151 -2.706 1.00 0.09 C ATOM 1422 SG CYS A 95 1.858 8.505 -2.590 1.00 0.18 S ATOM 0 H CYS A 95 2.573 5.827 -3.548 1.00 0.07 H new ATOM 0 HA CYS A 95 -0.246 5.820 -4.103 1.00 0.07 H new ATOM 0 HB2 CYS A 95 -0.322 7.538 -2.494 1.00 0.09 H new ATOM 0 HB3 CYS A 95 0.904 6.419 -1.932 1.00 0.09 H new ATOM 0 HG CYS A 95 2.437 8.477 -1.426 1.00 0.18 H new ATOM 1428 N LYS A 96 1.782 7.978 -5.514 1.00 0.09 N ATOM 1429 CA LYS A 96 1.910 9.094 -6.423 1.00 0.10 C ATOM 1430 C LYS A 96 1.673 8.675 -7.861 1.00 0.11 C ATOM 1431 O LYS A 96 1.360 9.501 -8.717 1.00 0.17 O ATOM 1432 CB LYS A 96 3.287 9.719 -6.255 1.00 0.10 C ATOM 1433 CG LYS A 96 3.389 10.558 -5.016 1.00 0.11 C ATOM 1434 CD LYS A 96 2.901 11.966 -5.245 1.00 0.18 C ATOM 1435 CE LYS A 96 3.624 12.896 -4.310 1.00 0.22 C ATOM 1436 NZ LYS A 96 3.257 14.317 -4.519 1.00 0.31 N1+ ATOM 0 H LYS A 96 2.671 7.634 -5.152 1.00 0.09 H new ATOM 0 HA LYS A 96 1.146 9.833 -6.181 1.00 0.10 H new ATOM 0 HB2 LYS A 96 4.039 8.930 -6.219 1.00 0.10 H new ATOM 0 HB3 LYS A 96 3.512 10.334 -7.126 1.00 0.10 H new ATOM 0 HG2 LYS A 96 2.807 10.098 -4.218 1.00 0.11 H new ATOM 0 HG3 LYS A 96 4.426 10.584 -4.680 1.00 0.11 H new ATOM 0 HD2 LYS A 96 3.077 12.261 -6.279 1.00 0.18 H new ATOM 0 HD3 LYS A 96 1.826 12.023 -5.076 1.00 0.18 H new ATOM 0 HE2 LYS A 96 3.401 12.615 -3.281 1.00 0.22 H new ATOM 0 HE3 LYS A 96 4.699 12.779 -4.447 1.00 0.22 H new ATOM 0 HZ1 LYS A 96 3.784 14.914 -3.849 1.00 0.31 H new ATOM 0 HZ2 LYS A 96 3.493 14.597 -5.492 1.00 0.31 H new ATOM 0 HZ3 LYS A 96 2.236 14.439 -4.362 1.00 0.31 H new ATOM 1450 N THR A 97 1.821 7.393 -8.126 1.00 0.11 N ATOM 1451 CA THR A 97 1.603 6.882 -9.462 1.00 0.11 C ATOM 1452 C THR A 97 0.491 5.842 -9.469 1.00 0.11 C ATOM 1453 O THR A 97 -0.126 5.572 -10.503 1.00 0.12 O ATOM 1454 CB THR A 97 2.896 6.278 -10.024 1.00 0.12 C ATOM 1455 OG1 THR A 97 3.162 5.010 -9.410 1.00 0.11 O ATOM 1456 CG2 THR A 97 4.060 7.220 -9.753 1.00 0.15 C ATOM 0 H THR A 97 2.090 6.690 -7.438 1.00 0.11 H new ATOM 0 HA THR A 97 1.300 7.714 -10.097 1.00 0.11 H new ATOM 0 HB THR A 97 2.777 6.136 -11.098 1.00 0.12 H new ATOM 0 HG1 THR A 97 4.028 4.672 -9.719 1.00 0.11 H new ATOM 0 HG21 THR A 97 4.978 6.789 -10.153 1.00 0.15 H new ATOM 0 HG22 THR A 97 3.871 8.180 -10.233 1.00 0.15 H new ATOM 0 HG23 THR A 97 4.167 7.367 -8.678 1.00 0.15 H new ATOM 1464 N GLY A 98 0.229 5.269 -8.296 1.00 0.10 N ATOM 1465 CA GLY A 98 -0.776 4.245 -8.178 1.00 0.10 C ATOM 1466 C GLY A 98 -0.303 2.934 -8.767 1.00 0.10 C ATOM 1467 O GLY A 98 -1.105 2.056 -9.082 1.00 0.13 O ATOM 0 H GLY A 98 0.703 5.503 -7.424 1.00 0.10 H new ATOM 0 HA2 GLY A 98 -1.030 4.103 -7.128 1.00 0.10 H new ATOM 0 HA3 GLY A 98 -1.686 4.566 -8.686 1.00 0.10 H new ATOM 1471 N TYR A 99 1.008 2.825 -8.949 1.00 0.10 N ATOM 1472 CA TYR A 99 1.628 1.598 -9.387 1.00 0.12 C ATOM 1473 C TYR A 99 1.735 0.657 -8.206 1.00 0.09 C ATOM 1474 O TYR A 99 1.570 1.078 -7.068 1.00 0.09 O ATOM 1475 CB TYR A 99 3.021 1.896 -9.937 1.00 0.18 C ATOM 1476 CG TYR A 99 3.451 0.935 -11.012 1.00 0.33 C ATOM 1477 CD1 TYR A 99 2.817 0.902 -12.246 1.00 0.43 C ATOM 1478 CD2 TYR A 99 4.504 0.066 -10.788 1.00 0.48 C ATOM 1479 CE1 TYR A 99 3.227 0.027 -13.232 1.00 0.60 C ATOM 1480 CE2 TYR A 99 4.921 -0.816 -11.767 1.00 0.64 C ATOM 1481 CZ TYR A 99 4.209 -0.844 -13.003 1.00 0.69 C ATOM 1482 OH TYR A 99 4.694 -1.701 -13.971 1.00 0.85 O ATOM 0 H TYR A 99 1.664 3.590 -8.795 1.00 0.10 H new ATOM 0 HA TYR A 99 1.028 1.138 -10.172 1.00 0.12 H new ATOM 0 HB2 TYR A 99 3.038 2.910 -10.337 1.00 0.18 H new ATOM 0 HB3 TYR A 99 3.742 1.864 -9.120 1.00 0.18 H new ATOM 0 HD1 TYR A 99 1.991 1.571 -12.438 1.00 0.43 H new ATOM 0 HD2 TYR A 99 5.008 0.077 -9.833 1.00 0.48 H new ATOM 0 HE1 TYR A 99 2.747 0.049 -14.199 1.00 0.60 H new ATOM 0 HE2 TYR A 99 5.765 -1.468 -11.600 1.00 0.64 H new ATOM 0 HH TYR A 99 5.411 -2.251 -13.591 1.00 0.85 H new ATOM 1492 N PHE A 100 2.007 -0.604 -8.463 1.00 0.10 N ATOM 1493 CA PHE A 100 2.191 -1.554 -7.386 1.00 0.09 C ATOM 1494 C PHE A 100 3.181 -2.640 -7.753 1.00 0.10 C ATOM 1495 O PHE A 100 3.209 -3.146 -8.878 1.00 0.13 O ATOM 1496 CB PHE A 100 0.854 -2.137 -6.919 1.00 0.10 C ATOM 1497 CG PHE A 100 -0.024 -2.650 -8.019 1.00 0.13 C ATOM 1498 CD1 PHE A 100 -0.873 -1.790 -8.694 1.00 0.13 C ATOM 1499 CD2 PHE A 100 -0.011 -3.989 -8.369 1.00 0.17 C ATOM 1500 CE1 PHE A 100 -1.693 -2.254 -9.700 1.00 0.16 C ATOM 1501 CE2 PHE A 100 -0.829 -4.461 -9.376 1.00 0.20 C ATOM 1502 CZ PHE A 100 -1.672 -3.591 -10.043 1.00 0.20 C ATOM 0 H PHE A 100 2.105 -0.994 -9.400 1.00 0.10 H new ATOM 0 HA PHE A 100 2.619 -1.009 -6.545 1.00 0.09 H new ATOM 0 HB2 PHE A 100 1.052 -2.951 -6.221 1.00 0.10 H new ATOM 0 HB3 PHE A 100 0.311 -1.369 -6.368 1.00 0.10 H new ATOM 0 HD1 PHE A 100 -0.893 -0.743 -8.429 1.00 0.13 H new ATOM 0 HD2 PHE A 100 0.645 -4.671 -7.849 1.00 0.17 H new ATOM 0 HE1 PHE A 100 -2.351 -1.573 -10.219 1.00 0.16 H new ATOM 0 HE2 PHE A 100 -0.811 -5.507 -9.642 1.00 0.20 H new ATOM 0 HZ PHE A 100 -2.313 -3.957 -10.831 1.00 0.20 H new ATOM 1512 N VAL A 101 4.002 -2.970 -6.781 1.00 0.08 N ATOM 1513 CA VAL A 101 5.116 -3.870 -6.967 1.00 0.09 C ATOM 1514 C VAL A 101 4.853 -5.177 -6.228 1.00 0.10 C ATOM 1515 O VAL A 101 4.342 -5.178 -5.109 1.00 0.12 O ATOM 1516 CB VAL A 101 6.432 -3.222 -6.460 1.00 0.10 C ATOM 1517 CG1 VAL A 101 6.467 -1.738 -6.785 1.00 0.12 C ATOM 1518 CG2 VAL A 101 6.623 -3.433 -4.969 1.00 0.10 C ATOM 0 H VAL A 101 3.913 -2.616 -5.828 1.00 0.08 H new ATOM 0 HA VAL A 101 5.225 -4.078 -8.032 1.00 0.09 H new ATOM 0 HB VAL A 101 7.254 -3.716 -6.979 1.00 0.10 H new ATOM 0 HG11 VAL A 101 7.399 -1.307 -6.419 1.00 0.12 H new ATOM 0 HG12 VAL A 101 6.402 -1.600 -7.864 1.00 0.12 H new ATOM 0 HG13 VAL A 101 5.624 -1.240 -6.305 1.00 0.12 H new ATOM 0 HG21 VAL A 101 7.555 -2.965 -4.652 1.00 0.10 H new ATOM 0 HG22 VAL A 101 5.789 -2.985 -4.428 1.00 0.10 H new ATOM 0 HG23 VAL A 101 6.662 -4.501 -4.755 1.00 0.10 H new ATOM 1528 N GLY A 102 5.195 -6.283 -6.850 1.00 0.11 N ATOM 1529 CA GLY A 102 4.920 -7.574 -6.256 1.00 0.16 C ATOM 1530 C GLY A 102 6.169 -8.212 -5.697 1.00 0.23 C ATOM 1531 O GLY A 102 7.155 -7.524 -5.435 1.00 0.49 O ATOM 0 H GLY A 102 5.659 -6.317 -7.758 1.00 0.11 H new ATOM 0 HA2 GLY A 102 4.184 -7.459 -5.461 1.00 0.16 H new ATOM 0 HA3 GLY A 102 4.480 -8.232 -7.005 1.00 0.16 H new ATOM 1535 N ASN A 103 6.136 -9.519 -5.511 1.00 0.28 N ATOM 1536 CA ASN A 103 7.306 -10.237 -5.036 1.00 0.34 C ATOM 1537 C ASN A 103 8.016 -10.905 -6.205 1.00 0.52 C ATOM 1538 O ASN A 103 9.202 -11.227 -6.129 1.00 1.18 O ATOM 1539 CB ASN A 103 6.927 -11.273 -3.982 1.00 0.57 C ATOM 1540 CG ASN A 103 6.266 -10.665 -2.756 1.00 0.56 C ATOM 1541 OD1 ASN A 103 5.050 -10.482 -2.722 1.00 1.18 O ATOM 1542 ND2 ASN A 103 7.050 -10.374 -1.725 1.00 0.52 N ATOM 0 H ASN A 103 5.317 -10.103 -5.680 1.00 0.28 H new ATOM 0 HA ASN A 103 7.982 -9.519 -4.571 1.00 0.34 H new ATOM 0 HB2 ASN A 103 6.251 -12.004 -4.426 1.00 0.57 H new ATOM 0 HB3 ASN A 103 7.822 -11.813 -3.674 1.00 0.57 H new ATOM 0 HD21 ASN A 103 6.648 -9.986 -0.872 1.00 0.52 H new ATOM 0 HD22 ASN A 103 8.055 -10.538 -1.786 1.00 0.52 H new ATOM 1549 N GLY A 104 7.270 -11.095 -7.293 1.00 1.34 N ATOM 1550 CA GLY A 104 7.823 -11.679 -8.503 1.00 1.58 C ATOM 1551 C GLY A 104 8.384 -13.065 -8.274 1.00 1.94 C ATOM 1552 O GLY A 104 7.716 -13.930 -7.703 1.00 2.58 O ATOM 0 H GLY A 104 6.282 -10.851 -7.356 1.00 1.34 H new ATOM 0 HA2 GLY A 104 7.047 -11.726 -9.267 1.00 1.58 H new ATOM 0 HA3 GLY A 104 8.610 -11.031 -8.888 1.00 1.58 H new ATOM 1556 N ALA A 105 9.609 -13.275 -8.722 1.00 2.18 N ATOM 1557 CA ALA A 105 10.307 -14.529 -8.494 1.00 2.72 C ATOM 1558 C ALA A 105 11.374 -14.337 -7.428 1.00 2.38 C ATOM 1559 O ALA A 105 12.342 -15.097 -7.345 1.00 2.80 O ATOM 1560 CB ALA A 105 10.927 -15.036 -9.787 1.00 3.51 C ATOM 0 H ALA A 105 10.145 -12.587 -9.250 1.00 2.18 H new ATOM 0 HA ALA A 105 9.592 -15.275 -8.146 1.00 2.72 H new ATOM 0 HB1 ALA A 105 11.446 -15.976 -9.598 1.00 3.51 H new ATOM 0 HB2 ALA A 105 10.144 -15.197 -10.528 1.00 3.51 H new ATOM 0 HB3 ALA A 105 11.637 -14.299 -10.164 1.00 3.51 H new ATOM 1566 N GLY A 106 11.192 -13.301 -6.624 1.00 2.15 N ATOM 1567 CA GLY A 106 12.141 -12.987 -5.583 1.00 2.11 C ATOM 1568 C GLY A 106 12.880 -11.696 -5.862 1.00 1.71 C ATOM 1569 O GLY A 106 12.947 -11.250 -7.010 1.00 2.30 O ATOM 0 H GLY A 106 10.394 -12.667 -6.677 1.00 2.15 H new ATOM 0 HA2 GLY A 106 11.620 -12.908 -4.629 1.00 2.11 H new ATOM 0 HA3 GLY A 106 12.858 -13.802 -5.488 1.00 2.11 H new ATOM 1573 N HIS A 107 13.427 -11.098 -4.807 1.00 1.52 N ATOM 1574 CA HIS A 107 14.209 -9.865 -4.914 1.00 1.72 C ATOM 1575 C HIS A 107 13.351 -8.707 -5.436 1.00 1.44 C ATOM 1576 O HIS A 107 12.195 -8.550 -5.029 1.00 1.91 O ATOM 1577 CB HIS A 107 15.440 -10.072 -5.809 1.00 2.56 C ATOM 1578 CG HIS A 107 16.386 -11.113 -5.299 1.00 3.15 C ATOM 1579 ND1 HIS A 107 16.616 -12.306 -5.948 1.00 3.92 N ATOM 1580 CD2 HIS A 107 17.166 -11.136 -4.193 1.00 3.70 C ATOM 1581 CE1 HIS A 107 17.491 -13.015 -5.264 1.00 4.69 C ATOM 1582 NE2 HIS A 107 17.842 -12.329 -4.194 1.00 4.59 N ATOM 0 H HIS A 107 13.342 -11.452 -3.854 1.00 1.52 H new ATOM 0 HA HIS A 107 14.553 -9.604 -3.913 1.00 1.72 H new ATOM 0 HB2 HIS A 107 15.108 -10.353 -6.808 1.00 2.56 H new ATOM 0 HB3 HIS A 107 15.972 -9.126 -5.904 1.00 2.56 H new ATOM 0 HD2 HIS A 107 17.242 -10.358 -3.447 1.00 3.70 H new ATOM 0 HE1 HIS A 107 17.859 -13.994 -5.534 1.00 4.69 H new ATOM 0 HE2 HIS A 107 18.507 -12.635 -3.484 1.00 4.59 H new ATOM 1591 N ALA A 108 13.911 -7.898 -6.327 1.00 0.96 N ATOM 1592 CA ALA A 108 13.215 -6.724 -6.827 1.00 0.74 C ATOM 1593 C ALA A 108 12.303 -7.061 -7.991 1.00 0.74 C ATOM 1594 O ALA A 108 12.755 -7.328 -9.102 1.00 0.95 O ATOM 1595 CB ALA A 108 14.203 -5.655 -7.248 1.00 0.75 C ATOM 0 H ALA A 108 14.844 -8.035 -6.716 1.00 0.96 H new ATOM 0 HA ALA A 108 12.599 -6.346 -6.011 1.00 0.74 H new ATOM 0 HB1 ALA A 108 13.661 -4.785 -7.619 1.00 0.75 H new ATOM 0 HB2 ALA A 108 14.812 -5.365 -6.392 1.00 0.75 H new ATOM 0 HB3 ALA A 108 14.847 -6.045 -8.036 1.00 0.75 H new ATOM 1601 N ASP A 109 11.014 -7.055 -7.714 1.00 0.65 N ATOM 1602 CA ASP A 109 9.999 -7.167 -8.749 1.00 0.72 C ATOM 1603 C ASP A 109 10.018 -5.933 -9.645 1.00 0.71 C ATOM 1604 O ASP A 109 10.303 -6.010 -10.839 1.00 0.84 O ATOM 1605 CB ASP A 109 8.633 -7.306 -8.086 1.00 0.74 C ATOM 1606 CG ASP A 109 7.482 -7.224 -9.067 1.00 1.42 C ATOM 1607 OD1 ASP A 109 6.777 -6.196 -9.074 1.00 2.21 O ATOM 1608 OD2 ASP A 109 7.268 -8.187 -9.829 1.00 1.59 O1- ATOM 0 H ASP A 109 10.639 -6.973 -6.769 1.00 0.65 H new ATOM 0 HA ASP A 109 10.203 -8.043 -9.365 1.00 0.72 H new ATOM 0 HB2 ASP A 109 8.587 -8.260 -7.561 1.00 0.74 H new ATOM 0 HB3 ASP A 109 8.519 -6.523 -7.336 1.00 0.74 H new ATOM 1613 N ASP A 110 9.703 -4.801 -9.046 1.00 0.62 N ATOM 1614 CA ASP A 110 9.715 -3.513 -9.731 1.00 0.66 C ATOM 1615 C ASP A 110 10.765 -2.622 -9.097 1.00 0.64 C ATOM 1616 O ASP A 110 10.978 -1.483 -9.502 1.00 0.78 O ATOM 1617 CB ASP A 110 8.344 -2.850 -9.598 1.00 0.68 C ATOM 1618 CG ASP A 110 8.180 -1.618 -10.473 1.00 1.43 C ATOM 1619 OD1 ASP A 110 8.097 -1.772 -11.713 1.00 1.49 O ATOM 1620 OD2 ASP A 110 8.104 -0.498 -9.923 1.00 2.37 O1- ATOM 0 H ASP A 110 9.429 -4.743 -8.065 1.00 0.62 H new ATOM 0 HA ASP A 110 9.945 -3.663 -10.786 1.00 0.66 H new ATOM 0 HB2 ASP A 110 7.572 -3.575 -9.856 1.00 0.68 H new ATOM 0 HB3 ASP A 110 8.184 -2.571 -8.557 1.00 0.68 H new ATOM 1625 N LEU A 111 11.438 -3.174 -8.105 1.00 0.56 N ATOM 1626 CA LEU A 111 12.211 -2.370 -7.177 1.00 0.60 C ATOM 1627 C LEU A 111 13.617 -2.079 -7.681 1.00 0.75 C ATOM 1628 O LEU A 111 14.054 -2.587 -8.713 1.00 0.81 O ATOM 1629 CB LEU A 111 12.291 -3.049 -5.805 1.00 0.58 C ATOM 1630 CG LEU A 111 10.967 -3.236 -5.057 1.00 0.47 C ATOM 1631 CD1 LEU A 111 10.051 -2.044 -5.230 1.00 0.51 C ATOM 1632 CD2 LEU A 111 10.269 -4.492 -5.517 1.00 0.55 C ATOM 0 H LEU A 111 11.465 -4.177 -7.921 1.00 0.56 H new ATOM 0 HA LEU A 111 11.687 -1.418 -7.087 1.00 0.60 H new ATOM 0 HB2 LEU A 111 12.751 -4.029 -5.935 1.00 0.58 H new ATOM 0 HB3 LEU A 111 12.960 -2.465 -5.173 1.00 0.58 H new ATOM 0 HG LEU A 111 11.205 -3.326 -3.997 1.00 0.47 H new ATOM 0 HD11 LEU A 111 9.123 -2.216 -4.684 1.00 0.51 H new ATOM 0 HD12 LEU A 111 10.540 -1.150 -4.842 1.00 0.51 H new ATOM 0 HD13 LEU A 111 9.829 -1.906 -6.288 1.00 0.51 H new ATOM 0 HD21 LEU A 111 9.331 -4.607 -4.974 1.00 0.55 H new ATOM 0 HD22 LEU A 111 10.064 -4.424 -6.585 1.00 0.55 H new ATOM 0 HD23 LEU A 111 10.907 -5.354 -5.325 1.00 0.55 H new ATOM 1644 N ASP A 112 14.302 -1.266 -6.897 1.00 0.86 N ATOM 1645 CA ASP A 112 15.641 -0.779 -7.175 1.00 1.05 C ATOM 1646 C ASP A 112 16.045 0.091 -6.000 1.00 1.03 C ATOM 1647 O ASP A 112 17.212 0.197 -5.625 1.00 1.16 O ATOM 1648 CB ASP A 112 15.639 0.036 -8.461 1.00 1.26 C ATOM 1649 CG ASP A 112 17.010 0.567 -8.837 1.00 1.52 C ATOM 1650 OD1 ASP A 112 17.831 -0.219 -9.357 1.00 1.68 O ATOM 1651 OD2 ASP A 112 17.276 1.767 -8.607 1.00 1.61 O1- ATOM 0 H ASP A 112 13.927 -0.914 -6.016 1.00 0.86 H new ATOM 0 HA ASP A 112 16.342 -1.604 -7.305 1.00 1.05 H new ATOM 0 HB2 ASP A 112 15.261 -0.583 -9.275 1.00 1.26 H new ATOM 0 HB3 ASP A 112 14.950 0.874 -8.351 1.00 1.26 H new ATOM 1656 N TYR A 113 15.015 0.699 -5.431 1.00 0.96 N ATOM 1657 CA TYR A 113 15.110 1.492 -4.222 1.00 1.04 C ATOM 1658 C TYR A 113 15.291 0.590 -3.008 1.00 1.23 C ATOM 1659 O TYR A 113 16.397 0.576 -2.433 1.00 1.72 O ATOM 1660 CB TYR A 113 13.848 2.326 -4.061 1.00 0.90 C ATOM 1661 CG TYR A 113 12.922 2.286 -5.266 1.00 1.26 C ATOM 1662 CD1 TYR A 113 12.981 3.282 -6.231 1.00 2.09 C ATOM 1663 CD2 TYR A 113 12.002 1.250 -5.448 1.00 1.41 C ATOM 1664 CE1 TYR A 113 12.158 3.257 -7.339 1.00 2.87 C ATOM 1665 CE2 TYR A 113 11.175 1.223 -6.557 1.00 2.14 C ATOM 1666 CZ TYR A 113 11.258 2.228 -7.497 1.00 2.88 C ATOM 1667 OH TYR A 113 10.441 2.200 -8.605 1.00 3.71 O ATOM 1668 OXT TYR A 113 14.330 -0.118 -2.645 1.00 1.79 O ATOM 0 H TYR A 113 14.069 0.651 -5.809 1.00 0.96 H new ATOM 0 HA TYR A 113 15.975 2.151 -4.298 1.00 1.04 H new ATOM 0 HB2 TYR A 113 13.303 1.975 -3.185 1.00 0.90 H new ATOM 0 HB3 TYR A 113 14.131 3.361 -3.867 1.00 0.90 H new ATOM 0 HD1 TYR A 113 13.685 4.093 -6.113 1.00 2.09 H new ATOM 0 HD2 TYR A 113 11.936 0.461 -4.714 1.00 1.41 H new ATOM 0 HE1 TYR A 113 12.220 4.042 -8.079 1.00 2.87 H new ATOM 0 HE2 TYR A 113 10.467 0.418 -6.686 1.00 2.14 H new ATOM 0 HH TYR A 113 9.865 1.408 -8.567 1.00 3.71 H new TER 1678 TYR A 113