USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 823 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 2 SER OG : rot 180:sc= 0.0561 USER MOD Set 1.2: A 16 HIS : no HE2:sc= 0.227 K(o=0.28,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 1.05 (180deg=-0.872!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.5!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -2.03 F(o=-2.9!,f=-2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00672) USER MOD Single : A 33 ASN : amide:sc=-0.00841 X(o=-0.0084,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 35 SER OG : rot 45:sc= 0.389 USER MOD Single : A 39 THR OG1 : rot -25:sc= 0.623 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 41 SER OG : rot 180:sc= 0.228 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 0.683 (180deg=0.681) USER MOD Single : A 53 SER OG : rot 47:sc= 0.516 USER MOD Single : A 54 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.74) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 176:sc= 0.801 USER MOD Single : A 61 THR OG1 : rot 145:sc= 0.977 USER MOD Single : A 62 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.45) USER MOD Single : A 74 MET CE :methyl 162:sc=-0.00402 (180deg=-0.271) USER MOD Single : A 75 HIS : no HE2:sc= -2.85 K(o=-2.8,f=-5.6) USER MOD Single : A 76 SER OG : rot -161:sc= 0.345 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0518 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -170:sc=-0.00524 (180deg=-0.0956) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.8!) USER MOD Single : A 91 LYS NZ :NH3+ -172:sc= 1 (180deg=0.926) USER MOD Single : A 92 THR OG1 : rot -158:sc= -0.719 USER MOD Single : A 94 GLN : amide:sc= 0.618 K(o=0.62,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.0708 K(o=-0.071,f=-0.91) USER MOD Single : A 99 GLN : amide:sc= -0.731 X(o=-0.73,f=-0.37) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.348 K(o=-0.35,f=-2.7!) USER MOD Single : A 106 SER OG : rot -40:sc= 0.652 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.821 10.169 8.033 1.00 11.51 N ATOM 2 CA GLY A 1 -6.017 8.939 8.013 1.00 12.21 C ATOM 3 C GLY A 1 -4.643 9.244 8.565 1.00 12.86 C ATOM 4 O GLY A 1 -4.513 9.336 9.784 1.00 13.51 O ATOM 0 H1 GLY A 1 -7.299 10.286 7.117 1.00 11.51 H new ATOM 0 H2 GLY A 1 -7.533 10.106 8.789 1.00 11.51 H new ATOM 0 H3 GLY A 1 -6.201 10.986 8.208 1.00 11.51 H new ATOM 0 HA2 GLY A 1 -6.499 8.164 8.609 1.00 12.21 H new ATOM 0 HA3 GLY A 1 -5.938 8.556 6.995 1.00 12.21 H new ATOM 10 N SER A 2 -3.653 9.450 7.690 1.00 12.97 N ATOM 11 CA SER A 2 -2.325 9.893 8.087 1.00 13.81 C ATOM 12 C SER A 2 -2.409 11.122 8.993 1.00 14.09 C ATOM 13 O SER A 2 -3.352 11.910 8.902 1.00 14.05 O ATOM 14 CB SER A 2 -1.513 10.238 6.834 1.00 13.78 C ATOM 15 OG SER A 2 -1.748 9.307 5.794 1.00 13.67 O ATOM 0 H SER A 2 -3.757 9.312 6.685 1.00 12.97 H new ATOM 0 HA SER A 2 -1.839 9.089 8.640 1.00 13.81 H new ATOM 0 HB2 SER A 2 -1.775 11.240 6.494 1.00 13.78 H new ATOM 0 HB3 SER A 2 -0.451 10.252 7.079 1.00 13.78 H new ATOM 0 HG SER A 2 -1.218 9.554 5.008 1.00 13.67 H new ATOM 21 N LYS A 3 -1.408 11.299 9.855 1.00 14.53 N ATOM 22 CA LYS A 3 -1.293 12.462 10.720 1.00 14.97 C ATOM 23 C LYS A 3 0.175 12.848 10.802 1.00 15.06 C ATOM 24 O LYS A 3 1.044 11.982 10.689 1.00 15.28 O ATOM 25 CB LYS A 3 -1.872 12.141 12.107 1.00 15.94 C ATOM 26 CG LYS A 3 -3.134 12.967 12.372 1.00 15.75 C ATOM 27 CD LYS A 3 -3.834 12.477 13.643 1.00 16.77 C ATOM 28 CE LYS A 3 -4.533 11.137 13.376 1.00 16.89 C ATOM 29 NZ LYS A 3 -6.003 11.276 13.336 1.00 16.90 N ATOM 0 H LYS A 3 -0.648 10.628 9.970 1.00 14.53 H new ATOM 0 HA LYS A 3 -1.860 13.302 10.318 1.00 14.97 H new ATOM 0 HB2 LYS A 3 -2.107 11.079 12.171 1.00 15.94 H new ATOM 0 HB3 LYS A 3 -1.127 12.350 12.875 1.00 15.94 H new ATOM 0 HG2 LYS A 3 -2.872 14.020 12.476 1.00 15.75 H new ATOM 0 HG3 LYS A 3 -3.812 12.890 11.522 1.00 15.75 H new ATOM 0 HD2 LYS A 3 -3.107 12.363 14.447 1.00 16.77 H new ATOM 0 HD3 LYS A 3 -4.563 13.217 13.975 1.00 16.77 H new ATOM 0 HE2 LYS A 3 -4.182 10.728 12.429 1.00 16.89 H new ATOM 0 HE3 LYS A 3 -4.258 10.424 14.153 1.00 16.89 H new ATOM 0 HZ1 LYS A 3 -6.435 10.348 13.153 1.00 16.90 H new ATOM 0 HZ2 LYS A 3 -6.342 11.642 14.249 1.00 16.90 H new ATOM 0 HZ3 LYS A 3 -6.269 11.936 12.578 1.00 16.90 H new ATOM 43 N GLY A 4 0.439 14.138 10.994 1.00 15.07 N ATOM 44 CA GLY A 4 1.769 14.715 10.992 1.00 15.18 C ATOM 45 C GLY A 4 1.641 16.207 10.737 1.00 14.47 C ATOM 46 O GLY A 4 0.566 16.771 10.942 1.00 14.33 O ATOM 0 H GLY A 4 -0.294 14.827 11.160 1.00 15.07 H new ATOM 0 HA2 GLY A 4 2.263 14.534 11.947 1.00 15.18 H new ATOM 0 HA3 GLY A 4 2.384 14.249 10.222 1.00 15.18 H new ATOM 50 N VAL A 5 2.729 16.833 10.290 1.00 14.26 N ATOM 51 CA VAL A 5 2.709 18.229 9.885 1.00 13.61 C ATOM 52 C VAL A 5 1.870 18.425 8.623 1.00 11.49 C ATOM 53 O VAL A 5 1.244 17.489 8.128 1.00 10.65 O ATOM 54 CB VAL A 5 4.143 18.768 9.705 1.00 14.33 C ATOM 55 CG1 VAL A 5 4.580 19.350 11.038 1.00 16.20 C ATOM 56 CG2 VAL A 5 5.194 17.721 9.311 1.00 14.32 C ATOM 0 H VAL A 5 3.641 16.386 10.200 1.00 14.26 H new ATOM 0 HA VAL A 5 2.237 18.807 10.680 1.00 13.61 H new ATOM 0 HB VAL A 5 4.096 19.487 8.887 1.00 14.33 H new ATOM 0 HG11 VAL A 5 5.593 19.742 10.949 1.00 16.20 H new ATOM 0 HG12 VAL A 5 3.903 20.155 11.323 1.00 16.20 H new ATOM 0 HG13 VAL A 5 4.558 18.571 11.800 1.00 16.20 H new ATOM 0 HG21 VAL A 5 6.167 18.202 9.210 1.00 14.32 H new ATOM 0 HG22 VAL A 5 5.248 16.952 10.081 1.00 14.32 H new ATOM 0 HG23 VAL A 5 4.915 17.264 8.361 1.00 14.32 H new ATOM 66 N GLU A 6 1.839 19.647 8.091 1.00 10.80 N ATOM 67 CA GLU A 6 1.191 19.914 6.828 1.00 8.90 C ATOM 68 C GLU A 6 2.101 19.571 5.656 1.00 7.79 C ATOM 69 O GLU A 6 3.175 20.130 5.462 1.00 8.26 O ATOM 70 CB GLU A 6 0.691 21.362 6.778 1.00 9.25 C ATOM 71 CG GLU A 6 1.736 22.442 7.097 1.00 10.55 C ATOM 72 CD GLU A 6 1.308 23.790 6.515 1.00 10.84 C ATOM 73 OE1 GLU A 6 0.281 24.318 6.998 1.00 11.21 O ATOM 74 OE2 GLU A 6 1.996 24.264 5.586 1.00 11.08 O ATOM 0 H GLU A 6 2.262 20.467 8.527 1.00 10.80 H new ATOM 0 HA GLU A 6 0.319 19.266 6.741 1.00 8.90 H new ATOM 0 HB2 GLU A 6 0.290 21.554 5.783 1.00 9.25 H new ATOM 0 HB3 GLU A 6 -0.136 21.465 7.480 1.00 9.25 H new ATOM 0 HG2 GLU A 6 1.861 22.528 8.176 1.00 10.55 H new ATOM 0 HG3 GLU A 6 2.703 22.153 6.687 1.00 10.55 H new ATOM 81 N LEU A 7 1.638 18.608 4.867 1.00 6.59 N ATOM 82 CA LEU A 7 2.235 18.164 3.632 1.00 5.84 C ATOM 83 C LEU A 7 1.123 17.571 2.780 1.00 4.19 C ATOM 84 O LEU A 7 1.200 16.436 2.327 1.00 4.54 O ATOM 85 CB LEU A 7 3.359 17.158 3.898 1.00 7.37 C ATOM 86 CG LEU A 7 3.145 16.090 4.995 1.00 9.00 C ATOM 87 CD1 LEU A 7 3.906 16.489 6.253 1.00 10.27 C ATOM 88 CD2 LEU A 7 1.730 15.684 5.422 1.00 8.98 C ATOM 0 H LEU A 7 0.787 18.093 5.093 1.00 6.59 H new ATOM 0 HA LEU A 7 2.698 18.996 3.102 1.00 5.84 H new ATOM 0 HB2 LEU A 7 3.566 16.637 2.963 1.00 7.37 H new ATOM 0 HB3 LEU A 7 4.256 17.722 4.154 1.00 7.37 H new ATOM 0 HG LEU A 7 3.514 15.200 4.485 1.00 9.00 H new ATOM 0 HD11 LEU A 7 3.754 15.735 7.025 1.00 10.27 H new ATOM 0 HD12 LEU A 7 4.969 16.566 6.026 1.00 10.27 H new ATOM 0 HD13 LEU A 7 3.540 17.452 6.609 1.00 10.27 H new ATOM 0 HD21 LEU A 7 1.789 14.924 6.201 1.00 8.98 H new ATOM 0 HD22 LEU A 7 1.201 16.557 5.806 1.00 8.98 H new ATOM 0 HD23 LEU A 7 1.192 15.282 4.563 1.00 8.98 H new ATOM 100 N ARG A 8 0.059 18.353 2.581 1.00 3.09 N ATOM 101 CA ARG A 8 -1.092 17.949 1.777 1.00 2.01 C ATOM 102 C ARG A 8 -1.818 16.760 2.411 1.00 1.74 C ATOM 103 O ARG A 8 -2.359 15.939 1.680 1.00 1.48 O ATOM 104 CB ARG A 8 -0.662 17.608 0.332 1.00 2.37 C ATOM 105 CG ARG A 8 0.211 18.667 -0.361 1.00 2.80 C ATOM 106 CD ARG A 8 -0.647 19.737 -1.034 1.00 3.55 C ATOM 107 NE ARG A 8 -1.318 19.198 -2.227 1.00 4.54 N ATOM 108 CZ ARG A 8 -2.186 19.859 -3.002 1.00 5.80 C ATOM 109 NH1 ARG A 8 -2.527 21.112 -2.703 1.00 6.24 N ATOM 110 NH2 ARG A 8 -2.707 19.262 -4.075 1.00 7.00 N ATOM 0 H ARG A 8 -0.026 19.289 2.976 1.00 3.09 H new ATOM 0 HA ARG A 8 -1.783 18.791 1.742 1.00 2.01 H new ATOM 0 HB2 ARG A 8 -0.117 16.664 0.346 1.00 2.37 H new ATOM 0 HB3 ARG A 8 -1.558 17.450 -0.268 1.00 2.37 H new ATOM 0 HG2 ARG A 8 0.871 19.133 0.371 1.00 2.80 H new ATOM 0 HG3 ARG A 8 0.848 18.187 -1.104 1.00 2.80 H new ATOM 0 HD2 ARG A 8 -1.391 20.108 -0.330 1.00 3.55 H new ATOM 0 HD3 ARG A 8 -0.023 20.586 -1.315 1.00 3.55 H new ATOM 0 HE ARG A 8 -1.103 18.235 -2.486 1.00 4.54 H new ATOM 0 HH11 ARG A 8 -2.126 21.568 -1.883 1.00 6.24 H new ATOM 0 HH12 ARG A 8 -3.189 21.615 -3.294 1.00 6.24 H new ATOM 0 HH21 ARG A 8 -2.444 18.303 -4.304 1.00 7.00 H new ATOM 0 HH22 ARG A 8 -3.369 19.764 -4.667 1.00 7.00 H new ATOM 124 N ASN A 9 -1.906 16.700 3.746 1.00 1.87 N ATOM 125 CA ASN A 9 -2.559 15.597 4.462 1.00 1.80 C ATOM 126 C ASN A 9 -3.952 15.306 3.934 1.00 1.47 C ATOM 127 O ASN A 9 -4.377 14.161 3.928 1.00 1.43 O ATOM 128 CB ASN A 9 -2.679 15.883 5.973 1.00 2.14 C ATOM 129 CG ASN A 9 -1.596 15.200 6.806 1.00 2.62 C ATOM 130 OD1 ASN A 9 -1.049 14.176 6.421 1.00 3.33 O ATOM 131 ND2 ASN A 9 -1.271 15.749 7.967 1.00 2.86 N ATOM 0 H ASN A 9 -1.525 17.418 4.362 1.00 1.87 H new ATOM 0 HA ASN A 9 -1.919 14.731 4.295 1.00 1.80 H new ATOM 0 HB2 ASN A 9 -2.629 16.959 6.137 1.00 2.14 H new ATOM 0 HB3 ASN A 9 -3.658 15.553 6.321 1.00 2.14 H new ATOM 0 HD21 ASN A 9 -0.556 15.318 8.553 1.00 2.86 H new ATOM 0 HD22 ASN A 9 -1.736 16.603 8.275 1.00 2.86 H new ATOM 138 N ASP A 10 -4.682 16.338 3.535 1.00 1.33 N ATOM 139 CA ASP A 10 -5.985 16.177 2.916 1.00 1.09 C ATOM 140 C ASP A 10 -5.873 15.388 1.610 1.00 0.83 C ATOM 141 O ASP A 10 -6.512 14.352 1.440 1.00 0.80 O ATOM 142 CB ASP A 10 -6.557 17.574 2.695 1.00 1.12 C ATOM 143 CG ASP A 10 -7.770 17.536 1.772 1.00 1.37 C ATOM 144 OD1 ASP A 10 -8.866 17.229 2.285 1.00 1.70 O ATOM 145 OD2 ASP A 10 -7.562 17.807 0.569 1.00 2.27 O ATOM 0 H ASP A 10 -4.386 17.309 3.632 1.00 1.33 H new ATOM 0 HA ASP A 10 -6.654 15.604 3.558 1.00 1.09 H new ATOM 0 HB2 ASP A 10 -6.840 18.009 3.653 1.00 1.12 H new ATOM 0 HB3 ASP A 10 -5.791 18.219 2.266 1.00 1.12 H new ATOM 150 N SER A 11 -5.027 15.855 0.694 1.00 0.82 N ATOM 151 CA SER A 11 -4.938 15.316 -0.654 1.00 0.77 C ATOM 152 C SER A 11 -4.439 13.872 -0.607 1.00 0.64 C ATOM 153 O SER A 11 -4.989 12.988 -1.265 1.00 0.71 O ATOM 154 CB SER A 11 -3.998 16.204 -1.479 1.00 1.06 C ATOM 155 OG SER A 11 -4.120 15.987 -2.873 1.00 1.66 O ATOM 0 H SER A 11 -4.381 16.624 0.872 1.00 0.82 H new ATOM 0 HA SER A 11 -5.921 15.311 -1.124 1.00 0.77 H new ATOM 0 HB2 SER A 11 -4.209 17.251 -1.259 1.00 1.06 H new ATOM 0 HB3 SER A 11 -2.968 16.015 -1.175 1.00 1.06 H new ATOM 0 HG SER A 11 -3.502 16.578 -3.351 1.00 1.66 H new ATOM 161 N GLU A 12 -3.355 13.633 0.134 1.00 0.76 N ATOM 162 CA GLU A 12 -2.752 12.313 0.210 1.00 0.83 C ATOM 163 C GLU A 12 -3.525 11.438 1.200 1.00 0.86 C ATOM 164 O GLU A 12 -3.498 10.212 1.121 1.00 0.92 O ATOM 165 CB GLU A 12 -1.252 12.405 0.544 1.00 1.03 C ATOM 166 CG GLU A 12 -0.911 12.500 2.041 1.00 2.34 C ATOM 167 CD GLU A 12 0.572 12.228 2.317 1.00 2.80 C ATOM 168 OE1 GLU A 12 1.378 12.317 1.364 1.00 2.99 O ATOM 169 OE2 GLU A 12 0.869 11.862 3.477 1.00 3.82 O ATOM 0 H GLU A 12 -2.880 14.344 0.690 1.00 0.76 H new ATOM 0 HA GLU A 12 -2.818 11.835 -0.768 1.00 0.83 H new ATOM 0 HB2 GLU A 12 -0.751 11.530 0.130 1.00 1.03 H new ATOM 0 HB3 GLU A 12 -0.838 13.278 0.039 1.00 1.03 H new ATOM 0 HG2 GLU A 12 -1.171 13.493 2.408 1.00 2.34 H new ATOM 0 HG3 GLU A 12 -1.519 11.786 2.596 1.00 2.34 H new ATOM 176 N GLY A 13 -4.235 12.061 2.138 1.00 0.93 N ATOM 177 CA GLY A 13 -5.140 11.370 3.033 1.00 1.05 C ATOM 178 C GLY A 13 -6.230 10.697 2.219 1.00 0.94 C ATOM 179 O GLY A 13 -6.519 9.527 2.435 1.00 0.99 O ATOM 0 H GLY A 13 -4.193 13.068 2.294 1.00 0.93 H new ATOM 0 HA2 GLY A 13 -4.596 10.628 3.618 1.00 1.05 H new ATOM 0 HA3 GLY A 13 -5.579 12.074 3.740 1.00 1.05 H new ATOM 183 N PHE A 14 -6.811 11.410 1.253 1.00 0.87 N ATOM 184 CA PHE A 14 -7.913 10.897 0.456 1.00 0.94 C ATOM 185 C PHE A 14 -7.500 9.622 -0.280 1.00 0.84 C ATOM 186 O PHE A 14 -8.162 8.593 -0.185 1.00 1.01 O ATOM 187 CB PHE A 14 -8.410 11.988 -0.505 1.00 0.95 C ATOM 188 CG PHE A 14 -9.896 11.904 -0.785 1.00 1.19 C ATOM 189 CD1 PHE A 14 -10.802 12.243 0.235 1.00 1.63 C ATOM 190 CD2 PHE A 14 -10.378 11.513 -2.049 1.00 2.53 C ATOM 191 CE1 PHE A 14 -12.186 12.186 0.000 1.00 1.96 C ATOM 192 CE2 PHE A 14 -11.764 11.466 -2.286 1.00 2.85 C ATOM 193 CZ PHE A 14 -12.668 11.797 -1.261 1.00 2.07 C ATOM 0 H PHE A 14 -6.527 12.358 1.006 1.00 0.87 H new ATOM 0 HA PHE A 14 -8.741 10.628 1.112 1.00 0.94 H new ATOM 0 HB2 PHE A 14 -8.181 12.967 -0.083 1.00 0.95 H new ATOM 0 HB3 PHE A 14 -7.865 11.911 -1.446 1.00 0.95 H new ATOM 0 HD1 PHE A 14 -10.433 12.548 1.203 1.00 1.63 H new ATOM 0 HD2 PHE A 14 -9.685 11.250 -2.835 1.00 2.53 H new ATOM 0 HE1 PHE A 14 -12.879 12.441 0.788 1.00 1.96 H new ATOM 0 HE2 PHE A 14 -12.135 11.175 -3.258 1.00 2.85 H new ATOM 0 HZ PHE A 14 -13.732 11.752 -1.443 1.00 2.07 H new ATOM 203 N ILE A 15 -6.389 9.664 -1.017 1.00 0.60 N ATOM 204 CA ILE A 15 -5.931 8.500 -1.775 1.00 0.59 C ATOM 205 C ILE A 15 -5.479 7.351 -0.858 1.00 0.56 C ATOM 206 O ILE A 15 -5.688 6.183 -1.186 1.00 0.61 O ATOM 207 CB ILE A 15 -4.850 8.887 -2.784 1.00 0.49 C ATOM 208 CG1 ILE A 15 -3.571 9.250 -2.027 1.00 0.33 C ATOM 209 CG2 ILE A 15 -5.354 10.005 -3.703 1.00 0.56 C ATOM 210 CD1 ILE A 15 -2.664 10.291 -2.667 1.00 0.43 C ATOM 0 H ILE A 15 -5.793 10.487 -1.105 1.00 0.60 H new ATOM 0 HA ILE A 15 -6.785 8.125 -2.339 1.00 0.59 H new ATOM 0 HB ILE A 15 -4.614 8.047 -3.438 1.00 0.49 H new ATOM 0 HG12 ILE A 15 -3.853 9.608 -1.037 1.00 0.33 H new ATOM 0 HG13 ILE A 15 -2.992 8.338 -1.883 1.00 0.33 H new ATOM 0 HG21 ILE A 15 -4.573 10.270 -4.416 1.00 0.56 H new ATOM 0 HG22 ILE A 15 -6.237 9.662 -4.243 1.00 0.56 H new ATOM 0 HG23 ILE A 15 -5.611 10.879 -3.105 1.00 0.56 H new ATOM 0 HD11 ILE A 15 -1.795 10.457 -2.031 1.00 0.43 H new ATOM 0 HD12 ILE A 15 -2.336 9.936 -3.644 1.00 0.43 H new ATOM 0 HD13 ILE A 15 -3.211 11.227 -2.785 1.00 0.43 H new ATOM 222 N HIS A 16 -4.851 7.659 0.282 1.00 0.52 N ATOM 223 CA HIS A 16 -4.442 6.666 1.270 1.00 0.51 C ATOM 224 C HIS A 16 -5.699 5.901 1.691 1.00 0.68 C ATOM 225 O HIS A 16 -5.765 4.674 1.670 1.00 0.64 O ATOM 226 CB HIS A 16 -3.785 7.413 2.448 1.00 0.61 C ATOM 227 CG HIS A 16 -3.388 6.611 3.668 1.00 0.66 C ATOM 228 ND1 HIS A 16 -2.134 6.627 4.242 1.00 0.75 N ATOM 229 CD2 HIS A 16 -4.214 5.914 4.506 1.00 0.84 C ATOM 230 CE1 HIS A 16 -2.186 5.942 5.397 1.00 0.83 C ATOM 231 NE2 HIS A 16 -3.442 5.492 5.579 1.00 0.87 N ATOM 0 H HIS A 16 -4.612 8.616 0.543 1.00 0.52 H new ATOM 0 HA HIS A 16 -3.716 5.952 0.881 1.00 0.51 H new ATOM 0 HB2 HIS A 16 -2.891 7.910 2.071 1.00 0.61 H new ATOM 0 HB3 HIS A 16 -4.472 8.195 2.772 1.00 0.61 H new ATOM 0 HD1 HIS A 16 -1.307 7.082 3.855 1.00 0.75 H new ATOM 0 HD2 HIS A 16 -5.268 5.727 4.360 1.00 0.84 H new ATOM 0 HE1 HIS A 16 -1.356 5.779 6.069 1.00 0.83 H new ATOM 240 N GLU A 17 -6.711 6.651 2.113 1.00 0.86 N ATOM 241 CA GLU A 17 -7.958 6.143 2.649 1.00 0.92 C ATOM 242 C GLU A 17 -8.737 5.376 1.592 1.00 0.95 C ATOM 243 O GLU A 17 -9.363 4.387 1.945 1.00 1.00 O ATOM 244 CB GLU A 17 -8.760 7.288 3.272 1.00 0.90 C ATOM 245 CG GLU A 17 -8.068 7.660 4.590 1.00 0.94 C ATOM 246 CD GLU A 17 -8.592 8.950 5.213 1.00 1.17 C ATOM 247 OE1 GLU A 17 -9.824 9.142 5.245 1.00 2.36 O ATOM 248 OE2 GLU A 17 -7.737 9.694 5.750 1.00 2.01 O ATOM 0 H GLU A 17 -6.679 7.670 2.088 1.00 0.86 H new ATOM 0 HA GLU A 17 -7.746 5.426 3.442 1.00 0.92 H new ATOM 0 HB2 GLU A 17 -8.793 8.145 2.599 1.00 0.90 H new ATOM 0 HB3 GLU A 17 -9.791 6.983 3.451 1.00 0.90 H new ATOM 0 HG2 GLU A 17 -8.198 6.844 5.301 1.00 0.94 H new ATOM 0 HG3 GLU A 17 -6.997 7.761 4.412 1.00 0.94 H new ATOM 255 N PHE A 18 -8.648 5.744 0.312 1.00 0.93 N ATOM 256 CA PHE A 18 -9.149 4.909 -0.776 1.00 0.96 C ATOM 257 C PHE A 18 -8.541 3.522 -0.692 1.00 0.79 C ATOM 258 O PHE A 18 -9.277 2.539 -0.655 1.00 0.78 O ATOM 259 CB PHE A 18 -8.838 5.542 -2.142 1.00 1.05 C ATOM 260 CG PHE A 18 -10.012 6.214 -2.812 1.00 0.95 C ATOM 261 CD1 PHE A 18 -11.102 5.433 -3.240 1.00 1.97 C ATOM 262 CD2 PHE A 18 -9.997 7.597 -3.067 1.00 2.38 C ATOM 263 CE1 PHE A 18 -12.173 6.033 -3.922 1.00 1.93 C ATOM 264 CE2 PHE A 18 -11.061 8.192 -3.764 1.00 2.91 C ATOM 265 CZ PHE A 18 -12.150 7.413 -4.189 1.00 1.89 C ATOM 0 H PHE A 18 -8.230 6.622 0.005 1.00 0.93 H new ATOM 0 HA PHE A 18 -10.231 4.830 -0.675 1.00 0.96 H new ATOM 0 HB2 PHE A 18 -8.042 6.276 -2.014 1.00 1.05 H new ATOM 0 HB3 PHE A 18 -8.453 4.768 -2.806 1.00 1.05 H new ATOM 0 HD1 PHE A 18 -11.115 4.371 -3.044 1.00 1.97 H new ATOM 0 HD2 PHE A 18 -9.168 8.201 -2.727 1.00 2.38 H new ATOM 0 HE1 PHE A 18 -13.014 5.435 -4.241 1.00 1.93 H new ATOM 0 HE2 PHE A 18 -11.042 9.251 -3.974 1.00 2.91 H new ATOM 0 HZ PHE A 18 -12.969 7.874 -4.721 1.00 1.89 H new ATOM 275 N GLY A 19 -7.209 3.434 -0.642 1.00 0.69 N ATOM 276 CA GLY A 19 -6.553 2.143 -0.492 1.00 0.61 C ATOM 277 C GLY A 19 -7.164 1.355 0.663 1.00 0.57 C ATOM 278 O GLY A 19 -7.522 0.188 0.523 1.00 0.54 O ATOM 0 H GLY A 19 -6.576 4.232 -0.703 1.00 0.69 H new ATOM 0 HA2 GLY A 19 -6.646 1.573 -1.416 1.00 0.61 H new ATOM 0 HA3 GLY A 19 -5.488 2.290 -0.314 1.00 0.61 H new ATOM 282 N HIS A 20 -7.324 2.010 1.810 1.00 0.58 N ATOM 283 CA HIS A 20 -7.865 1.374 2.992 1.00 0.55 C ATOM 284 C HIS A 20 -9.294 0.890 2.777 1.00 0.55 C ATOM 285 O HIS A 20 -9.631 -0.206 3.200 1.00 0.47 O ATOM 286 CB HIS A 20 -7.771 2.353 4.166 1.00 0.67 C ATOM 287 CG HIS A 20 -7.745 1.676 5.507 1.00 0.77 C ATOM 288 ND1 HIS A 20 -8.696 0.830 6.004 1.00 0.67 N flip ATOM 289 CD2 HIS A 20 -6.741 1.803 6.445 1.00 1.81 C flip ATOM 290 CE1 HIS A 20 -8.280 0.462 7.269 1.00 1.09 C flip ATOM 291 NE2 HIS A 20 -7.099 1.071 7.513 1.00 1.99 N flip ATOM 0 H HIS A 20 -7.081 2.992 1.939 1.00 0.58 H new ATOM 0 HA HIS A 20 -7.277 0.484 3.216 1.00 0.55 H new ATOM 0 HB2 HIS A 20 -6.870 2.957 4.055 1.00 0.67 H new ATOM 0 HB3 HIS A 20 -8.620 3.036 4.129 1.00 0.67 H new ATOM 0 HD2 HIS A 20 -5.836 2.383 6.340 1.00 1.81 H new ATOM 0 HE1 HIS A 20 -8.806 -0.197 7.944 1.00 1.09 H new ATOM 0 HE2 HIS A 20 -6.562 0.988 8.376 1.00 1.99 H new ATOM 300 N ALA A 21 -10.149 1.692 2.151 1.00 0.68 N ATOM 301 CA ALA A 21 -11.536 1.334 1.919 1.00 0.72 C ATOM 302 C ALA A 21 -11.593 0.090 1.039 1.00 0.69 C ATOM 303 O ALA A 21 -12.489 -0.738 1.177 1.00 0.70 O ATOM 304 CB ALA A 21 -12.271 2.515 1.279 1.00 0.91 C ATOM 0 H ALA A 21 -9.894 2.611 1.790 1.00 0.68 H new ATOM 0 HA ALA A 21 -12.031 1.106 2.863 1.00 0.72 H new ATOM 0 HB1 ALA A 21 -13.313 2.244 1.105 1.00 0.91 H new ATOM 0 HB2 ALA A 21 -12.226 3.376 1.946 1.00 0.91 H new ATOM 0 HB3 ALA A 21 -11.798 2.766 0.330 1.00 0.91 H new ATOM 310 N VAL A 22 -10.625 -0.071 0.136 1.00 0.69 N ATOM 311 CA VAL A 22 -10.604 -1.277 -0.679 1.00 0.72 C ATOM 312 C VAL A 22 -10.206 -2.492 0.150 1.00 0.61 C ATOM 313 O VAL A 22 -10.824 -3.551 0.031 1.00 0.66 O ATOM 314 CB VAL A 22 -9.751 -1.061 -1.941 1.00 0.84 C ATOM 315 CG1 VAL A 22 -9.657 -2.330 -2.794 1.00 0.92 C ATOM 316 CG2 VAL A 22 -10.377 0.040 -2.809 1.00 1.00 C ATOM 0 H VAL A 22 -9.873 0.594 -0.043 1.00 0.69 H new ATOM 0 HA VAL A 22 -11.611 -1.493 -1.036 1.00 0.72 H new ATOM 0 HB VAL A 22 -8.752 -0.782 -1.606 1.00 0.84 H new ATOM 0 HG11 VAL A 22 -9.046 -2.132 -3.675 1.00 0.92 H new ATOM 0 HG12 VAL A 22 -9.202 -3.129 -2.209 1.00 0.92 H new ATOM 0 HG13 VAL A 22 -10.656 -2.633 -3.107 1.00 0.92 H new ATOM 0 HG21 VAL A 22 -9.769 0.189 -3.701 1.00 1.00 H new ATOM 0 HG22 VAL A 22 -11.385 -0.256 -3.101 1.00 1.00 H new ATOM 0 HG23 VAL A 22 -10.422 0.969 -2.241 1.00 1.00 H new ATOM 326 N ASP A 23 -9.229 -2.335 1.036 1.00 0.54 N ATOM 327 CA ASP A 23 -8.870 -3.368 2.001 1.00 0.50 C ATOM 328 C ASP A 23 -10.064 -3.728 2.888 1.00 0.45 C ATOM 329 O ASP A 23 -10.226 -4.863 3.325 1.00 0.47 O ATOM 330 CB ASP A 23 -7.698 -2.855 2.842 1.00 0.57 C ATOM 331 CG ASP A 23 -6.844 -3.958 3.466 1.00 0.73 C ATOM 332 OD1 ASP A 23 -7.299 -5.123 3.529 1.00 1.81 O ATOM 333 OD2 ASP A 23 -5.732 -3.587 3.898 1.00 1.97 O ATOM 0 H ASP A 23 -8.664 -1.489 1.106 1.00 0.54 H new ATOM 0 HA ASP A 23 -8.577 -4.277 1.476 1.00 0.50 H new ATOM 0 HB2 ASP A 23 -7.062 -2.230 2.215 1.00 0.57 H new ATOM 0 HB3 ASP A 23 -8.087 -2.219 3.637 1.00 0.57 H new ATOM 338 N ASP A 24 -10.936 -2.750 3.125 1.00 0.47 N ATOM 339 CA ASP A 24 -12.053 -2.876 4.049 1.00 0.56 C ATOM 340 C ASP A 24 -13.031 -3.885 3.454 1.00 0.61 C ATOM 341 O ASP A 24 -13.408 -4.878 4.072 1.00 0.71 O ATOM 342 CB ASP A 24 -12.708 -1.503 4.246 1.00 0.71 C ATOM 343 CG ASP A 24 -13.636 -1.446 5.453 1.00 1.04 C ATOM 344 OD1 ASP A 24 -14.749 -2.004 5.348 1.00 1.70 O ATOM 345 OD2 ASP A 24 -13.243 -0.761 6.425 1.00 2.52 O ATOM 0 H ASP A 24 -10.883 -1.837 2.673 1.00 0.47 H new ATOM 0 HA ASP A 24 -11.725 -3.226 5.028 1.00 0.56 H new ATOM 0 HB2 ASP A 24 -11.929 -0.749 4.360 1.00 0.71 H new ATOM 0 HB3 ASP A 24 -13.272 -1.245 3.350 1.00 0.71 H new ATOM 350 N TYR A 25 -13.368 -3.681 2.178 1.00 0.66 N ATOM 351 CA TYR A 25 -14.186 -4.614 1.422 1.00 0.88 C ATOM 352 C TYR A 25 -13.547 -5.996 1.418 1.00 0.97 C ATOM 353 O TYR A 25 -14.221 -6.991 1.680 1.00 1.10 O ATOM 354 CB TYR A 25 -14.397 -4.086 0.000 1.00 1.05 C ATOM 355 CG TYR A 25 -15.588 -4.716 -0.682 1.00 1.41 C ATOM 356 CD1 TYR A 25 -16.874 -4.440 -0.186 1.00 1.36 C ATOM 357 CD2 TYR A 25 -15.425 -5.585 -1.777 1.00 2.63 C ATOM 358 CE1 TYR A 25 -18.000 -5.032 -0.776 1.00 1.52 C ATOM 359 CE2 TYR A 25 -16.552 -6.172 -2.384 1.00 3.10 C ATOM 360 CZ TYR A 25 -17.846 -5.894 -1.884 1.00 2.26 C ATOM 361 OH TYR A 25 -18.949 -6.467 -2.446 1.00 2.71 O ATOM 0 H TYR A 25 -13.078 -2.861 1.645 1.00 0.66 H new ATOM 0 HA TYR A 25 -15.163 -4.706 1.897 1.00 0.88 H new ATOM 0 HB2 TYR A 25 -14.532 -3.005 0.034 1.00 1.05 H new ATOM 0 HB3 TYR A 25 -13.501 -4.277 -0.591 1.00 1.05 H new ATOM 0 HD1 TYR A 25 -16.995 -3.770 0.652 1.00 1.36 H new ATOM 0 HD2 TYR A 25 -14.436 -5.802 -2.152 1.00 2.63 H new ATOM 0 HE1 TYR A 25 -18.985 -4.829 -0.383 1.00 1.52 H new ATOM 0 HE2 TYR A 25 -16.429 -6.833 -3.229 1.00 3.10 H new ATOM 0 HH TYR A 25 -18.676 -7.032 -3.199 1.00 2.71 H new ATOM 371 N ALA A 26 -12.242 -6.073 1.151 1.00 0.98 N ATOM 372 CA ALA A 26 -11.550 -7.349 1.168 1.00 1.17 C ATOM 373 C ALA A 26 -11.692 -8.040 2.526 1.00 1.18 C ATOM 374 O ALA A 26 -11.778 -9.260 2.558 1.00 1.40 O ATOM 375 CB ALA A 26 -10.083 -7.174 0.776 1.00 1.24 C ATOM 0 H ALA A 26 -11.654 -5.271 0.923 1.00 0.98 H new ATOM 0 HA ALA A 26 -12.017 -7.998 0.427 1.00 1.17 H new ATOM 0 HB1 ALA A 26 -9.583 -8.142 0.795 1.00 1.24 H new ATOM 0 HB2 ALA A 26 -10.022 -6.754 -0.228 1.00 1.24 H new ATOM 0 HB3 ALA A 26 -9.596 -6.500 1.481 1.00 1.24 H new ATOM 381 N GLY A 27 -11.742 -7.294 3.629 1.00 1.02 N ATOM 382 CA GLY A 27 -11.808 -7.839 4.976 1.00 1.18 C ATOM 383 C GLY A 27 -13.239 -8.070 5.454 1.00 1.47 C ATOM 384 O GLY A 27 -13.451 -8.727 6.469 1.00 2.17 O ATOM 0 H GLY A 27 -11.737 -6.274 3.606 1.00 1.02 H new ATOM 0 HA2 GLY A 27 -11.263 -8.782 5.008 1.00 1.18 H new ATOM 0 HA3 GLY A 27 -11.306 -7.158 5.663 1.00 1.18 H new ATOM 388 N TYR A 28 -14.235 -7.517 4.758 1.00 1.12 N ATOM 389 CA TYR A 28 -15.630 -7.792 5.057 1.00 1.28 C ATOM 390 C TYR A 28 -16.031 -9.102 4.385 1.00 1.45 C ATOM 391 O TYR A 28 -16.635 -9.974 5.005 1.00 1.72 O ATOM 392 CB TYR A 28 -16.510 -6.618 4.594 1.00 1.19 C ATOM 393 CG TYR A 28 -17.983 -6.747 4.950 1.00 1.10 C ATOM 394 CD1 TYR A 28 -18.372 -7.172 6.236 1.00 2.06 C ATOM 395 CD2 TYR A 28 -18.970 -6.417 4.000 1.00 2.60 C ATOM 396 CE1 TYR A 28 -19.734 -7.289 6.568 1.00 1.76 C ATOM 397 CE2 TYR A 28 -20.333 -6.532 4.324 1.00 3.38 C ATOM 398 CZ TYR A 28 -20.722 -6.971 5.608 1.00 2.17 C ATOM 399 OH TYR A 28 -22.046 -7.073 5.914 1.00 2.88 O ATOM 0 H TYR A 28 -14.093 -6.873 3.980 1.00 1.12 H new ATOM 0 HA TYR A 28 -15.772 -7.899 6.132 1.00 1.28 H new ATOM 0 HB2 TYR A 28 -16.124 -5.698 5.032 1.00 1.19 H new ATOM 0 HB3 TYR A 28 -16.419 -6.519 3.512 1.00 1.19 H new ATOM 0 HD1 TYR A 28 -17.619 -7.410 6.972 1.00 2.06 H new ATOM 0 HD2 TYR A 28 -18.678 -6.074 3.018 1.00 2.60 H new ATOM 0 HE1 TYR A 28 -20.024 -7.621 7.554 1.00 1.76 H new ATOM 0 HE2 TYR A 28 -21.084 -6.284 3.589 1.00 3.38 H new ATOM 0 HH TYR A 28 -22.582 -6.814 5.136 1.00 2.88 H new ATOM 409 N LEU A 29 -15.720 -9.223 3.094 1.00 1.38 N ATOM 410 CA LEU A 29 -16.080 -10.366 2.271 1.00 1.60 C ATOM 411 C LEU A 29 -15.164 -11.548 2.521 1.00 1.76 C ATOM 412 O LEU A 29 -15.614 -12.691 2.462 1.00 2.08 O ATOM 413 CB LEU A 29 -15.971 -9.989 0.796 1.00 1.60 C ATOM 414 CG LEU A 29 -17.139 -9.125 0.282 1.00 1.60 C ATOM 415 CD1 LEU A 29 -18.444 -9.913 0.372 1.00 1.92 C ATOM 416 CD2 LEU A 29 -17.388 -7.816 1.026 1.00 1.36 C ATOM 0 H LEU A 29 -15.199 -8.510 2.585 1.00 1.38 H new ATOM 0 HA LEU A 29 -17.101 -10.646 2.531 1.00 1.60 H new ATOM 0 HB2 LEU A 29 -15.037 -9.450 0.637 1.00 1.60 H new ATOM 0 HB3 LEU A 29 -15.918 -10.901 0.201 1.00 1.60 H new ATOM 0 HG LEU A 29 -16.839 -8.872 -0.735 1.00 1.60 H new ATOM 0 HD11 LEU A 29 -19.266 -9.298 0.007 1.00 1.92 H new ATOM 0 HD12 LEU A 29 -18.368 -10.814 -0.236 1.00 1.92 H new ATOM 0 HD13 LEU A 29 -18.631 -10.190 1.409 1.00 1.92 H new ATOM 0 HD21 LEU A 29 -18.233 -7.296 0.575 1.00 1.36 H new ATOM 0 HD22 LEU A 29 -17.609 -8.028 2.072 1.00 1.36 H new ATOM 0 HD23 LEU A 29 -16.500 -7.187 0.964 1.00 1.36 H new ATOM 428 N LEU A 30 -13.873 -11.284 2.709 1.00 1.58 N ATOM 429 CA LEU A 30 -12.880 -12.320 2.893 1.00 1.86 C ATOM 430 C LEU A 30 -12.263 -12.089 4.269 1.00 1.98 C ATOM 431 O LEU A 30 -12.434 -11.015 4.835 1.00 2.53 O ATOM 432 CB LEU A 30 -11.804 -12.296 1.798 1.00 1.79 C ATOM 433 CG LEU A 30 -12.363 -12.223 0.366 1.00 1.87 C ATOM 434 CD1 LEU A 30 -11.383 -11.443 -0.504 1.00 1.79 C ATOM 435 CD2 LEU A 30 -12.576 -13.623 -0.213 1.00 2.22 C ATOM 0 H LEU A 30 -13.492 -10.338 2.737 1.00 1.58 H new ATOM 0 HA LEU A 30 -13.346 -13.303 2.824 1.00 1.86 H new ATOM 0 HB2 LEU A 30 -11.151 -11.440 1.965 1.00 1.79 H new ATOM 0 HB3 LEU A 30 -11.188 -13.190 1.890 1.00 1.79 H new ATOM 0 HG LEU A 30 -13.330 -11.720 0.387 1.00 1.87 H new ATOM 0 HD11 LEU A 30 -11.768 -11.384 -1.522 1.00 1.79 H new ATOM 0 HD12 LEU A 30 -11.262 -10.437 -0.103 1.00 1.79 H new ATOM 0 HD13 LEU A 30 -10.418 -11.950 -0.510 1.00 1.79 H new ATOM 0 HD21 LEU A 30 -12.972 -13.542 -1.225 1.00 2.22 H new ATOM 0 HD22 LEU A 30 -11.625 -14.156 -0.237 1.00 2.22 H new ATOM 0 HD23 LEU A 30 -13.283 -14.171 0.410 1.00 2.22 H new ATOM 447 N ASP A 31 -11.513 -13.068 4.779 1.00 2.40 N ATOM 448 CA ASP A 31 -10.893 -13.024 6.103 1.00 2.67 C ATOM 449 C ASP A 31 -11.964 -13.137 7.198 1.00 2.73 C ATOM 450 O ASP A 31 -12.886 -12.329 7.289 1.00 3.34 O ATOM 451 CB ASP A 31 -9.987 -11.790 6.257 1.00 3.56 C ATOM 452 CG ASP A 31 -8.694 -12.163 6.979 1.00 4.57 C ATOM 453 OD1 ASP A 31 -8.804 -12.897 7.985 1.00 5.00 O ATOM 454 OD2 ASP A 31 -7.610 -11.789 6.471 1.00 5.40 O ATOM 0 H ASP A 31 -11.316 -13.931 4.272 1.00 2.40 H new ATOM 0 HA ASP A 31 -10.236 -13.886 6.217 1.00 2.67 H new ATOM 0 HB2 ASP A 31 -9.756 -11.376 5.275 1.00 3.56 H new ATOM 0 HB3 ASP A 31 -10.511 -11.014 6.815 1.00 3.56 H new ATOM 459 N LYS A 32 -11.908 -14.193 8.012 1.00 3.04 N ATOM 460 CA LYS A 32 -12.962 -14.479 8.983 1.00 3.81 C ATOM 461 C LYS A 32 -12.344 -14.416 10.368 1.00 4.09 C ATOM 462 O LYS A 32 -11.145 -14.631 10.505 1.00 4.63 O ATOM 463 CB LYS A 32 -13.643 -15.824 8.666 1.00 4.58 C ATOM 464 CG LYS A 32 -14.998 -15.988 9.381 1.00 5.91 C ATOM 465 CD LYS A 32 -14.925 -16.800 10.686 1.00 7.19 C ATOM 466 CE LYS A 32 -16.140 -16.516 11.580 1.00 8.38 C ATOM 467 NZ LYS A 32 -17.415 -16.927 10.951 1.00 8.73 N ATOM 0 H LYS A 32 -11.141 -14.865 8.017 1.00 3.04 H new ATOM 0 HA LYS A 32 -13.761 -13.739 8.934 1.00 3.81 H new ATOM 0 HB2 LYS A 32 -13.793 -15.906 7.589 1.00 4.58 H new ATOM 0 HB3 LYS A 32 -12.981 -16.639 8.959 1.00 4.58 H new ATOM 0 HG2 LYS A 32 -15.402 -15.000 9.602 1.00 5.91 H new ATOM 0 HG3 LYS A 32 -15.699 -16.474 8.702 1.00 5.91 H new ATOM 0 HD2 LYS A 32 -14.881 -17.864 10.454 1.00 7.19 H new ATOM 0 HD3 LYS A 32 -14.009 -16.552 11.222 1.00 7.19 H new ATOM 0 HE2 LYS A 32 -16.020 -17.041 12.528 1.00 8.38 H new ATOM 0 HE3 LYS A 32 -16.178 -15.451 11.808 1.00 8.38 H new ATOM 0 HZ1 LYS A 32 -18.199 -16.761 11.614 1.00 8.73 H new ATOM 0 HZ2 LYS A 32 -17.570 -16.371 10.086 1.00 8.73 H new ATOM 0 HZ3 LYS A 32 -17.373 -17.938 10.710 1.00 8.73 H new ATOM 481 N ASN A 33 -13.190 -14.170 11.375 1.00 4.43 N ATOM 482 CA ASN A 33 -12.857 -13.736 12.719 1.00 4.78 C ATOM 483 C ASN A 33 -12.202 -12.360 12.659 1.00 4.30 C ATOM 484 O ASN A 33 -11.094 -12.215 12.157 1.00 4.53 O ATOM 485 CB ASN A 33 -12.031 -14.797 13.436 1.00 5.69 C ATOM 486 CG ASN A 33 -11.291 -14.208 14.627 1.00 6.23 C ATOM 487 OD1 ASN A 33 -11.856 -14.087 15.705 1.00 6.79 O ATOM 488 ND2 ASN A 33 -10.043 -13.807 14.438 1.00 6.52 N ATOM 0 H ASN A 33 -14.197 -14.280 11.253 1.00 4.43 H new ATOM 0 HA ASN A 33 -13.759 -13.623 13.321 1.00 4.78 H new ATOM 0 HB2 ASN A 33 -12.683 -15.603 13.772 1.00 5.69 H new ATOM 0 HB3 ASN A 33 -11.315 -15.235 12.741 1.00 5.69 H new ATOM 0 HD21 ASN A 33 -9.522 -13.382 15.205 1.00 6.52 H new ATOM 0 HD22 ASN A 33 -9.603 -13.923 13.525 1.00 6.52 H new ATOM 495 N GLN A 34 -12.915 -11.353 13.172 1.00 4.45 N ATOM 496 CA GLN A 34 -12.519 -9.956 13.074 1.00 4.57 C ATOM 497 C GLN A 34 -12.403 -9.546 11.599 1.00 3.90 C ATOM 498 O GLN A 34 -11.407 -8.973 11.170 1.00 4.29 O ATOM 499 CB GLN A 34 -11.252 -9.739 13.920 1.00 5.76 C ATOM 500 CG GLN A 34 -11.126 -8.304 14.441 1.00 7.02 C ATOM 501 CD GLN A 34 -10.016 -8.209 15.487 1.00 7.94 C ATOM 502 OE1 GLN A 34 -8.949 -8.790 15.342 1.00 8.32 O ATOM 503 NE2 GLN A 34 -10.250 -7.498 16.583 1.00 8.68 N ATOM 0 H GLN A 34 -13.793 -11.493 13.672 1.00 4.45 H new ATOM 0 HA GLN A 34 -13.276 -9.290 13.489 1.00 4.57 H new ATOM 0 HB2 GLN A 34 -11.262 -10.428 14.765 1.00 5.76 H new ATOM 0 HB3 GLN A 34 -10.374 -9.982 13.321 1.00 5.76 H new ATOM 0 HG2 GLN A 34 -10.912 -7.628 13.613 1.00 7.02 H new ATOM 0 HG3 GLN A 34 -12.073 -7.985 14.877 1.00 7.02 H new ATOM 0 HE21 GLN A 34 -11.142 -7.016 16.698 1.00 8.68 H new ATOM 0 HE22 GLN A 34 -9.538 -7.433 17.311 1.00 8.68 H new ATOM 512 N SER A 35 -13.462 -9.838 10.833 1.00 4.04 N ATOM 513 CA SER A 35 -13.610 -9.466 9.435 1.00 4.75 C ATOM 514 C SER A 35 -13.594 -7.943 9.329 1.00 4.34 C ATOM 515 O SER A 35 -14.603 -7.301 9.631 1.00 5.55 O ATOM 516 CB SER A 35 -14.936 -10.043 8.928 1.00 6.82 C ATOM 517 OG SER A 35 -15.950 -9.772 9.881 1.00 8.07 O ATOM 0 H SER A 35 -14.263 -10.358 11.190 1.00 4.04 H new ATOM 0 HA SER A 35 -12.795 -9.861 8.828 1.00 4.75 H new ATOM 0 HB2 SER A 35 -15.196 -9.602 7.966 1.00 6.82 H new ATOM 0 HB3 SER A 35 -14.844 -11.118 8.771 1.00 6.82 H new ATOM 0 HG SER A 35 -15.879 -8.841 10.179 1.00 8.07 H new ATOM 523 N ASP A 36 -12.444 -7.385 8.960 1.00 3.32 N ATOM 524 CA ASP A 36 -12.175 -5.954 8.970 1.00 3.42 C ATOM 525 C ASP A 36 -11.221 -5.620 7.825 1.00 2.82 C ATOM 526 O ASP A 36 -11.514 -4.764 6.996 1.00 3.89 O ATOM 527 CB ASP A 36 -11.581 -5.572 10.333 1.00 3.95 C ATOM 528 CG ASP A 36 -11.446 -4.060 10.505 1.00 5.30 C ATOM 529 OD1 ASP A 36 -12.451 -3.445 10.924 1.00 6.25 O ATOM 530 OD2 ASP A 36 -10.329 -3.548 10.275 1.00 5.87 O ATOM 0 H ASP A 36 -11.649 -7.936 8.636 1.00 3.32 H new ATOM 0 HA ASP A 36 -13.092 -5.383 8.824 1.00 3.42 H new ATOM 0 HB2 ASP A 36 -12.213 -5.970 11.127 1.00 3.95 H new ATOM 0 HB3 ASP A 36 -10.601 -6.037 10.443 1.00 3.95 H new ATOM 535 N LEU A 37 -10.094 -6.339 7.741 1.00 1.81 N ATOM 536 CA LEU A 37 -9.037 -6.149 6.751 1.00 1.48 C ATOM 537 C LEU A 37 -8.524 -7.529 6.342 1.00 1.40 C ATOM 538 O LEU A 37 -8.584 -8.444 7.161 1.00 1.70 O ATOM 539 CB LEU A 37 -7.905 -5.360 7.418 1.00 1.72 C ATOM 540 CG LEU A 37 -8.265 -3.882 7.624 1.00 1.97 C ATOM 541 CD1 LEU A 37 -7.497 -3.352 8.836 1.00 3.17 C ATOM 542 CD2 LEU A 37 -7.891 -3.091 6.379 1.00 2.09 C ATOM 0 H LEU A 37 -9.890 -7.099 8.390 1.00 1.81 H new ATOM 0 HA LEU A 37 -9.400 -5.612 5.875 1.00 1.48 H new ATOM 0 HB2 LEU A 37 -7.670 -5.812 8.382 1.00 1.72 H new ATOM 0 HB3 LEU A 37 -7.006 -5.430 6.805 1.00 1.72 H new ATOM 0 HG LEU A 37 -9.336 -3.777 7.798 1.00 1.97 H new ATOM 0 HD11 LEU A 37 -7.744 -2.302 8.993 1.00 3.17 H new ATOM 0 HD12 LEU A 37 -7.773 -3.926 9.721 1.00 3.17 H new ATOM 0 HD13 LEU A 37 -6.426 -3.450 8.659 1.00 3.17 H new ATOM 0 HD21 LEU A 37 -8.146 -2.041 6.524 1.00 2.09 H new ATOM 0 HD22 LEU A 37 -6.820 -3.182 6.198 1.00 2.09 H new ATOM 0 HD23 LEU A 37 -8.438 -3.482 5.521 1.00 2.09 H new ATOM 554 N VAL A 38 -7.983 -7.706 5.130 1.00 1.44 N ATOM 555 CA VAL A 38 -7.603 -9.045 4.651 1.00 1.62 C ATOM 556 C VAL A 38 -6.161 -9.408 5.052 1.00 2.05 C ATOM 557 O VAL A 38 -5.420 -10.071 4.323 1.00 2.48 O ATOM 558 CB VAL A 38 -7.910 -9.156 3.143 1.00 1.60 C ATOM 559 CG1 VAL A 38 -6.925 -8.397 2.245 1.00 1.95 C ATOM 560 CG2 VAL A 38 -8.015 -10.612 2.670 1.00 1.94 C ATOM 0 H VAL A 38 -7.800 -6.951 4.469 1.00 1.44 H new ATOM 0 HA VAL A 38 -8.208 -9.805 5.145 1.00 1.62 H new ATOM 0 HB VAL A 38 -8.883 -8.675 3.038 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -7.211 -8.526 1.201 1.00 1.95 H new ATOM 0 HG12 VAL A 38 -6.944 -7.337 2.498 1.00 1.95 H new ATOM 0 HG13 VAL A 38 -5.919 -8.788 2.396 1.00 1.95 H new ATOM 0 HG21 VAL A 38 -8.232 -10.633 1.602 1.00 1.94 H new ATOM 0 HG22 VAL A 38 -7.072 -11.125 2.859 1.00 1.94 H new ATOM 0 HG23 VAL A 38 -8.816 -11.114 3.213 1.00 1.94 H new ATOM 570 N THR A 39 -5.742 -8.987 6.245 1.00 2.40 N ATOM 571 CA THR A 39 -4.357 -9.063 6.693 1.00 2.71 C ATOM 572 C THR A 39 -3.966 -10.484 7.149 1.00 3.17 C ATOM 573 O THR A 39 -2.894 -10.653 7.726 1.00 3.91 O ATOM 574 CB THR A 39 -4.122 -7.960 7.754 1.00 2.77 C ATOM 575 OG1 THR A 39 -2.800 -7.939 8.262 1.00 3.41 O ATOM 576 CG2 THR A 39 -5.068 -8.064 8.956 1.00 3.25 C ATOM 0 H THR A 39 -6.369 -8.577 6.937 1.00 2.40 H new ATOM 0 HA THR A 39 -3.682 -8.869 5.859 1.00 2.71 H new ATOM 0 HB THR A 39 -4.320 -7.040 7.204 1.00 2.77 H new ATOM 0 HG1 THR A 39 -2.398 -8.828 8.166 1.00 3.41 H new ATOM 0 HG21 THR A 39 -4.850 -7.262 9.661 1.00 3.25 H new ATOM 0 HG22 THR A 39 -6.100 -7.977 8.616 1.00 3.25 H new ATOM 0 HG23 THR A 39 -4.928 -9.027 9.447 1.00 3.25 H new ATOM 584 N ASN A 40 -4.763 -11.528 6.888 1.00 3.73 N ATOM 585 CA ASN A 40 -4.428 -12.902 7.265 1.00 4.45 C ATOM 586 C ASN A 40 -4.714 -13.862 6.109 1.00 3.78 C ATOM 587 O ASN A 40 -5.260 -14.948 6.302 1.00 4.64 O ATOM 588 CB ASN A 40 -5.193 -13.310 8.534 1.00 5.70 C ATOM 589 CG ASN A 40 -4.525 -12.781 9.791 1.00 6.13 C ATOM 590 OD1 ASN A 40 -3.367 -13.083 10.059 1.00 6.47 O ATOM 591 ND2 ASN A 40 -5.243 -12.018 10.603 1.00 6.80 N ATOM 0 H ASN A 40 -5.659 -11.441 6.409 1.00 3.73 H new ATOM 0 HA ASN A 40 -3.362 -12.955 7.484 1.00 4.45 H new ATOM 0 HB2 ASN A 40 -6.214 -12.933 8.479 1.00 5.70 H new ATOM 0 HB3 ASN A 40 -5.257 -14.397 8.586 1.00 5.70 H new ATOM 0 HD21 ASN A 40 -4.834 -11.670 11.470 1.00 6.80 H new ATOM 0 HD22 ASN A 40 -6.205 -11.779 10.361 1.00 6.80 H new ATOM 598 N SER A 41 -4.302 -13.520 4.887 1.00 2.69 N ATOM 599 CA SER A 41 -4.465 -14.439 3.770 1.00 2.35 C ATOM 600 C SER A 41 -3.375 -14.224 2.723 1.00 2.15 C ATOM 601 O SER A 41 -2.374 -13.562 3.005 1.00 2.44 O ATOM 602 CB SER A 41 -5.870 -14.259 3.186 1.00 2.63 C ATOM 603 OG SER A 41 -6.218 -15.401 2.426 1.00 3.45 O ATOM 0 H SER A 41 -3.862 -12.630 4.652 1.00 2.69 H new ATOM 0 HA SER A 41 -4.360 -15.467 4.116 1.00 2.35 H new ATOM 0 HB2 SER A 41 -6.592 -14.110 3.989 1.00 2.63 H new ATOM 0 HB3 SER A 41 -5.903 -13.368 2.559 1.00 2.63 H new ATOM 0 HG SER A 41 -7.117 -15.285 2.055 1.00 3.45 H new ATOM 609 N LYS A 42 -3.558 -14.808 1.529 1.00 2.79 N ATOM 610 CA LYS A 42 -2.707 -14.724 0.337 1.00 3.19 C ATOM 611 C LYS A 42 -1.348 -15.399 0.524 1.00 3.07 C ATOM 612 O LYS A 42 -1.027 -16.334 -0.201 1.00 3.86 O ATOM 613 CB LYS A 42 -2.560 -13.270 -0.145 1.00 3.67 C ATOM 614 CG LYS A 42 -3.881 -12.567 -0.498 1.00 4.68 C ATOM 615 CD LYS A 42 -4.432 -12.948 -1.879 1.00 5.28 C ATOM 616 CE LYS A 42 -5.301 -14.212 -1.838 1.00 5.70 C ATOM 617 NZ LYS A 42 -4.996 -15.140 -2.950 1.00 6.26 N ATOM 0 H LYS A 42 -4.372 -15.399 1.361 1.00 2.79 H new ATOM 0 HA LYS A 42 -3.216 -15.286 -0.446 1.00 3.19 H new ATOM 0 HB2 LYS A 42 -2.056 -12.695 0.631 1.00 3.67 H new ATOM 0 HB3 LYS A 42 -1.913 -13.257 -1.022 1.00 3.67 H new ATOM 0 HG2 LYS A 42 -4.626 -12.810 0.260 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -3.729 -11.488 -0.462 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -5.020 -12.119 -2.273 1.00 5.28 H new ATOM 0 HD3 LYS A 42 -3.601 -13.104 -2.567 1.00 5.28 H new ATOM 0 HE2 LYS A 42 -5.149 -14.724 -0.888 1.00 5.70 H new ATOM 0 HE3 LYS A 42 -6.353 -13.929 -1.882 1.00 5.70 H new ATOM 0 HZ1 LYS A 42 -5.608 -15.978 -2.880 1.00 6.26 H new ATOM 0 HZ2 LYS A 42 -5.166 -14.662 -3.858 1.00 6.26 H new ATOM 0 HZ3 LYS A 42 -4.000 -15.433 -2.894 1.00 6.26 H new ATOM 631 N LYS A 43 -0.525 -14.886 1.433 1.00 2.73 N ATOM 632 CA LYS A 43 0.803 -15.380 1.776 1.00 2.78 C ATOM 633 C LYS A 43 1.029 -15.335 3.290 1.00 2.18 C ATOM 634 O LYS A 43 2.155 -15.507 3.732 1.00 2.80 O ATOM 635 CB LYS A 43 1.884 -14.600 1.002 1.00 3.36 C ATOM 636 CG LYS A 43 1.622 -13.083 0.873 1.00 4.83 C ATOM 637 CD LYS A 43 1.719 -12.584 -0.573 1.00 5.84 C ATOM 638 CE LYS A 43 0.901 -13.416 -1.567 1.00 6.82 C ATOM 639 NZ LYS A 43 1.760 -14.077 -2.574 1.00 7.28 N ATOM 0 H LYS A 43 -0.783 -14.066 1.982 1.00 2.73 H new ATOM 0 HA LYS A 43 0.877 -16.425 1.476 1.00 2.78 H new ATOM 0 HB2 LYS A 43 2.843 -14.748 1.498 1.00 3.36 H new ATOM 0 HB3 LYS A 43 1.973 -15.025 0.002 1.00 3.36 H new ATOM 0 HG2 LYS A 43 0.631 -12.856 1.265 1.00 4.83 H new ATOM 0 HG3 LYS A 43 2.340 -12.541 1.488 1.00 4.83 H new ATOM 0 HD2 LYS A 43 1.381 -11.549 -0.614 1.00 5.84 H new ATOM 0 HD3 LYS A 43 2.765 -12.590 -0.881 1.00 5.84 H new ATOM 0 HE2 LYS A 43 0.331 -14.171 -1.025 1.00 6.82 H new ATOM 0 HE3 LYS A 43 0.180 -12.773 -2.071 1.00 6.82 H new ATOM 0 HZ1 LYS A 43 1.168 -14.629 -3.227 1.00 7.28 H new ATOM 0 HZ2 LYS A 43 2.285 -13.356 -3.109 1.00 7.28 H new ATOM 0 HZ3 LYS A 43 2.431 -14.711 -2.095 1.00 7.28 H new ATOM 653 N PHE A 44 -0.037 -15.155 4.081 1.00 1.96 N ATOM 654 CA PHE A 44 0.008 -15.149 5.537 1.00 1.81 C ATOM 655 C PHE A 44 0.926 -14.030 6.043 1.00 1.56 C ATOM 656 O PHE A 44 2.000 -14.292 6.569 1.00 2.01 O ATOM 657 CB PHE A 44 0.371 -16.554 6.057 1.00 2.42 C ATOM 658 CG PHE A 44 -0.199 -16.890 7.425 1.00 2.82 C ATOM 659 CD1 PHE A 44 0.190 -16.161 8.565 1.00 3.64 C ATOM 660 CD2 PHE A 44 -1.126 -17.942 7.561 1.00 3.77 C ATOM 661 CE1 PHE A 44 -0.368 -16.456 9.821 1.00 4.76 C ATOM 662 CE2 PHE A 44 -1.669 -18.252 8.820 1.00 4.57 C ATOM 663 CZ PHE A 44 -1.297 -17.502 9.949 1.00 4.90 C ATOM 0 H PHE A 44 -0.975 -15.006 3.710 1.00 1.96 H new ATOM 0 HA PHE A 44 -0.977 -14.921 5.944 1.00 1.81 H new ATOM 0 HB2 PHE A 44 0.018 -17.295 5.339 1.00 2.42 H new ATOM 0 HB3 PHE A 44 1.457 -16.642 6.099 1.00 2.42 H new ATOM 0 HD1 PHE A 44 0.921 -15.371 8.474 1.00 3.64 H new ATOM 0 HD2 PHE A 44 -1.421 -18.513 6.693 1.00 3.77 H new ATOM 0 HE1 PHE A 44 -0.082 -15.878 10.688 1.00 4.76 H new ATOM 0 HE2 PHE A 44 -2.372 -19.066 8.920 1.00 4.57 H new ATOM 0 HZ PHE A 44 -1.725 -17.730 10.914 1.00 4.90 H new ATOM 673 N ILE A 45 0.462 -12.781 5.898 1.00 1.37 N ATOM 674 CA ILE A 45 1.122 -11.548 6.335 1.00 1.40 C ATOM 675 C ILE A 45 2.648 -11.615 6.175 1.00 1.25 C ATOM 676 O ILE A 45 3.394 -11.672 7.144 1.00 1.84 O ATOM 677 CB ILE A 45 0.617 -11.132 7.737 1.00 1.84 C ATOM 678 CG1 ILE A 45 1.074 -9.701 8.077 1.00 2.55 C ATOM 679 CG2 ILE A 45 0.962 -12.110 8.872 1.00 2.07 C ATOM 680 CD1 ILE A 45 0.426 -9.181 9.366 1.00 2.94 C ATOM 0 H ILE A 45 -0.434 -12.596 5.447 1.00 1.37 H new ATOM 0 HA ILE A 45 0.836 -10.734 5.669 1.00 1.40 H new ATOM 0 HB ILE A 45 -0.470 -11.163 7.669 1.00 1.84 H new ATOM 0 HG12 ILE A 45 2.159 -9.683 8.184 1.00 2.55 H new ATOM 0 HG13 ILE A 45 0.824 -9.035 7.251 1.00 2.55 H new ATOM 0 HG21 ILE A 45 0.565 -11.730 9.813 1.00 2.07 H new ATOM 0 HG22 ILE A 45 0.521 -13.084 8.660 1.00 2.07 H new ATOM 0 HG23 ILE A 45 2.045 -12.211 8.949 1.00 2.07 H new ATOM 0 HD11 ILE A 45 0.777 -8.169 9.567 1.00 2.94 H new ATOM 0 HD12 ILE A 45 -0.658 -9.173 9.251 1.00 2.94 H new ATOM 0 HD13 ILE A 45 0.698 -9.831 10.198 1.00 2.94 H new ATOM 692 N ASP A 46 3.113 -11.568 4.924 1.00 1.09 N ATOM 693 CA ASP A 46 4.520 -11.783 4.578 1.00 0.88 C ATOM 694 C ASP A 46 5.087 -10.548 3.879 1.00 0.71 C ATOM 695 O ASP A 46 6.112 -9.994 4.265 1.00 0.68 O ATOM 696 CB ASP A 46 4.619 -13.017 3.681 1.00 0.80 C ATOM 697 CG ASP A 46 6.068 -13.334 3.327 1.00 1.08 C ATOM 698 OD1 ASP A 46 6.881 -13.405 4.271 1.00 2.38 O ATOM 699 OD2 ASP A 46 6.332 -13.476 2.111 1.00 1.82 O ATOM 0 H ASP A 46 2.519 -11.378 4.117 1.00 1.09 H new ATOM 0 HA ASP A 46 5.107 -11.948 5.482 1.00 0.88 H new ATOM 0 HB2 ASP A 46 4.171 -13.873 4.186 1.00 0.80 H new ATOM 0 HB3 ASP A 46 4.048 -12.851 2.768 1.00 0.80 H new ATOM 704 N ILE A 47 4.357 -10.055 2.879 1.00 0.64 N ATOM 705 CA ILE A 47 4.674 -8.839 2.140 1.00 0.51 C ATOM 706 C ILE A 47 4.905 -7.682 3.114 1.00 0.51 C ATOM 707 O ILE A 47 5.921 -6.997 3.050 1.00 0.48 O ATOM 708 CB ILE A 47 3.519 -8.561 1.163 1.00 0.52 C ATOM 709 CG1 ILE A 47 3.376 -9.686 0.129 1.00 0.53 C ATOM 710 CG2 ILE A 47 3.635 -7.196 0.487 1.00 0.47 C ATOM 711 CD1 ILE A 47 4.224 -9.454 -1.111 1.00 0.51 C ATOM 0 H ILE A 47 3.503 -10.507 2.553 1.00 0.64 H new ATOM 0 HA ILE A 47 5.594 -8.955 1.568 1.00 0.51 H new ATOM 0 HB ILE A 47 2.608 -8.536 1.761 1.00 0.52 H new ATOM 0 HG12 ILE A 47 3.661 -10.633 0.587 1.00 0.53 H new ATOM 0 HG13 ILE A 47 2.330 -9.775 -0.163 1.00 0.53 H new ATOM 0 HG21 ILE A 47 2.794 -7.053 -0.191 1.00 0.47 H new ATOM 0 HG22 ILE A 47 3.627 -6.413 1.245 1.00 0.47 H new ATOM 0 HG23 ILE A 47 4.567 -7.147 -0.076 1.00 0.47 H new ATOM 0 HD11 ILE A 47 4.084 -10.280 -1.808 1.00 0.51 H new ATOM 0 HD12 ILE A 47 3.923 -8.522 -1.589 1.00 0.51 H new ATOM 0 HD13 ILE A 47 5.275 -9.393 -0.827 1.00 0.51 H new ATOM 723 N PHE A 48 3.969 -7.464 4.036 1.00 0.56 N ATOM 724 CA PHE A 48 4.111 -6.453 5.073 1.00 0.55 C ATOM 725 C PHE A 48 5.311 -6.725 5.971 1.00 0.56 C ATOM 726 O PHE A 48 5.899 -5.791 6.500 1.00 0.53 O ATOM 727 CB PHE A 48 2.831 -6.424 5.910 1.00 0.61 C ATOM 728 CG PHE A 48 2.899 -5.529 7.134 1.00 0.63 C ATOM 729 CD1 PHE A 48 3.287 -4.192 6.993 1.00 0.57 C ATOM 730 CD2 PHE A 48 2.590 -6.022 8.413 1.00 0.77 C ATOM 731 CE1 PHE A 48 3.346 -3.341 8.103 1.00 0.67 C ATOM 732 CE2 PHE A 48 2.580 -5.156 9.524 1.00 0.89 C ATOM 733 CZ PHE A 48 2.969 -3.812 9.372 1.00 0.84 C ATOM 0 H PHE A 48 3.093 -7.985 4.082 1.00 0.56 H new ATOM 0 HA PHE A 48 4.277 -5.488 4.594 1.00 0.55 H new ATOM 0 HB2 PHE A 48 2.007 -6.093 5.279 1.00 0.61 H new ATOM 0 HB3 PHE A 48 2.599 -7.440 6.231 1.00 0.61 H new ATOM 0 HD1 PHE A 48 3.544 -3.812 6.015 1.00 0.57 H new ATOM 0 HD2 PHE A 48 2.359 -7.069 8.545 1.00 0.77 H new ATOM 0 HE1 PHE A 48 3.682 -2.321 7.984 1.00 0.67 H new ATOM 0 HE2 PHE A 48 2.274 -5.523 10.492 1.00 0.89 H new ATOM 0 HZ PHE A 48 2.978 -3.148 10.224 1.00 0.84 H new ATOM 743 N LYS A 49 5.672 -7.980 6.222 1.00 0.64 N ATOM 744 CA LYS A 49 6.772 -8.217 7.138 1.00 0.68 C ATOM 745 C LYS A 49 8.084 -7.731 6.541 1.00 0.65 C ATOM 746 O LYS A 49 8.861 -7.103 7.249 1.00 0.65 O ATOM 747 CB LYS A 49 6.857 -9.692 7.544 1.00 0.83 C ATOM 748 CG LYS A 49 5.653 -10.102 8.397 1.00 1.39 C ATOM 749 CD LYS A 49 5.607 -9.361 9.737 1.00 0.98 C ATOM 750 CE LYS A 49 4.667 -8.157 9.627 1.00 0.95 C ATOM 751 NZ LYS A 49 4.871 -7.192 10.726 1.00 1.35 N ATOM 0 H LYS A 49 5.239 -8.812 5.822 1.00 0.64 H new ATOM 0 HA LYS A 49 6.581 -7.643 8.045 1.00 0.68 H new ATOM 0 HB2 LYS A 49 6.903 -10.316 6.651 1.00 0.83 H new ATOM 0 HB3 LYS A 49 7.777 -9.866 8.102 1.00 0.83 H new ATOM 0 HG2 LYS A 49 4.735 -9.904 7.844 1.00 1.39 H new ATOM 0 HG3 LYS A 49 5.690 -11.176 8.580 1.00 1.39 H new ATOM 0 HD2 LYS A 49 5.263 -10.033 10.524 1.00 0.98 H new ATOM 0 HD3 LYS A 49 6.607 -9.030 10.015 1.00 0.98 H new ATOM 0 HE2 LYS A 49 4.828 -7.658 8.672 1.00 0.95 H new ATOM 0 HE3 LYS A 49 3.633 -8.502 9.635 1.00 0.95 H new ATOM 0 HZ1 LYS A 49 4.239 -6.377 10.594 1.00 1.35 H new ATOM 0 HZ2 LYS A 49 4.659 -7.651 11.635 1.00 1.35 H new ATOM 0 HZ3 LYS A 49 5.859 -6.867 10.724 1.00 1.35 H new ATOM 765 N GLU A 50 8.329 -8.020 5.266 1.00 0.67 N ATOM 766 CA GLU A 50 9.562 -7.597 4.622 1.00 0.70 C ATOM 767 C GLU A 50 9.432 -6.142 4.160 1.00 0.56 C ATOM 768 O GLU A 50 10.139 -5.242 4.614 1.00 0.56 O ATOM 769 CB GLU A 50 9.854 -8.517 3.425 1.00 0.81 C ATOM 770 CG GLU A 50 10.189 -9.951 3.844 1.00 2.30 C ATOM 771 CD GLU A 50 11.517 -10.012 4.599 1.00 2.20 C ATOM 772 OE1 GLU A 50 12.554 -10.128 3.909 1.00 2.18 O ATOM 773 OE2 GLU A 50 11.475 -9.918 5.844 1.00 3.09 O ATOM 0 H GLU A 50 7.692 -8.542 4.664 1.00 0.67 H new ATOM 0 HA GLU A 50 10.388 -7.664 5.330 1.00 0.70 H new ATOM 0 HB2 GLU A 50 8.988 -8.530 2.763 1.00 0.81 H new ATOM 0 HB3 GLU A 50 10.686 -8.107 2.853 1.00 0.81 H new ATOM 0 HG2 GLU A 50 9.391 -10.344 4.474 1.00 2.30 H new ATOM 0 HG3 GLU A 50 10.240 -10.588 2.961 1.00 2.30 H new ATOM 780 N GLU A 51 8.524 -5.910 3.217 1.00 0.48 N ATOM 781 CA GLU A 51 8.422 -4.648 2.500 1.00 0.39 C ATOM 782 C GLU A 51 7.817 -3.570 3.386 1.00 0.35 C ATOM 783 O GLU A 51 8.130 -2.383 3.247 1.00 0.33 O ATOM 784 CB GLU A 51 7.577 -4.831 1.241 1.00 0.37 C ATOM 785 CG GLU A 51 7.966 -6.071 0.427 1.00 0.68 C ATOM 786 CD GLU A 51 9.473 -6.252 0.296 1.00 0.89 C ATOM 787 OE1 GLU A 51 10.158 -5.227 0.119 1.00 2.22 O ATOM 788 OE2 GLU A 51 9.906 -7.424 0.350 1.00 1.87 O ATOM 0 H GLU A 51 7.832 -6.601 2.928 1.00 0.48 H new ATOM 0 HA GLU A 51 9.425 -4.331 2.214 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.527 -4.905 1.524 1.00 0.37 H new ATOM 0 HB3 GLU A 51 7.677 -3.946 0.613 1.00 0.37 H new ATOM 0 HG2 GLU A 51 7.540 -6.956 0.899 1.00 0.68 H new ATOM 0 HG3 GLU A 51 7.527 -5.997 -0.568 1.00 0.68 H new ATOM 795 N GLY A 52 6.982 -3.978 4.343 1.00 0.37 N ATOM 796 CA GLY A 52 6.476 -3.130 5.398 1.00 0.36 C ATOM 797 C GLY A 52 7.537 -2.762 6.441 1.00 0.36 C ATOM 798 O GLY A 52 7.243 -2.647 7.627 1.00 0.39 O ATOM 0 H GLY A 52 6.636 -4.936 4.398 1.00 0.37 H new ATOM 0 HA2 GLY A 52 6.075 -2.216 4.959 1.00 0.36 H new ATOM 0 HA3 GLY A 52 5.648 -3.635 5.895 1.00 0.36 H new ATOM 802 N SER A 53 8.773 -2.519 6.008 1.00 0.41 N ATOM 803 CA SER A 53 9.794 -1.834 6.778 1.00 0.54 C ATOM 804 C SER A 53 10.705 -1.069 5.816 1.00 0.58 C ATOM 805 O SER A 53 11.902 -0.935 6.056 1.00 0.83 O ATOM 806 CB SER A 53 10.555 -2.839 7.665 1.00 0.73 C ATOM 807 OG SER A 53 10.375 -4.189 7.288 1.00 2.53 O ATOM 0 H SER A 53 9.095 -2.804 5.083 1.00 0.41 H new ATOM 0 HA SER A 53 9.346 -1.108 7.457 1.00 0.54 H new ATOM 0 HB2 SER A 53 11.619 -2.603 7.634 1.00 0.73 H new ATOM 0 HB3 SER A 53 10.231 -2.715 8.698 1.00 0.73 H new ATOM 0 HG SER A 53 10.486 -4.275 6.318 1.00 2.53 H new ATOM 813 N ASN A 54 10.143 -0.569 4.708 1.00 0.41 N ATOM 814 CA ASN A 54 10.949 -0.026 3.621 1.00 0.44 C ATOM 815 C ASN A 54 10.287 1.171 2.952 1.00 0.43 C ATOM 816 O ASN A 54 10.939 2.169 2.662 1.00 0.56 O ATOM 817 CB ASN A 54 11.224 -1.148 2.608 1.00 0.47 C ATOM 818 CG ASN A 54 12.502 -0.909 1.816 1.00 0.62 C ATOM 819 OD1 ASN A 54 12.869 0.221 1.522 1.00 1.02 O ATOM 820 ND2 ASN A 54 13.198 -1.976 1.449 1.00 1.65 N ATOM 0 H ASN A 54 9.137 -0.532 4.546 1.00 0.41 H new ATOM 0 HA ASN A 54 11.889 0.342 4.032 1.00 0.44 H new ATOM 0 HB2 ASN A 54 11.298 -2.100 3.134 1.00 0.47 H new ATOM 0 HB3 ASN A 54 10.382 -1.228 1.920 1.00 0.47 H new ATOM 0 HD21 ASN A 54 14.057 -1.864 0.911 1.00 1.65 H new ATOM 0 HD22 ASN A 54 12.874 -2.909 1.705 1.00 1.65 H new ATOM 827 N LEU A 55 8.981 1.088 2.698 1.00 0.33 N ATOM 828 CA LEU A 55 8.290 2.162 1.987 1.00 0.34 C ATOM 829 C LEU A 55 8.340 3.470 2.776 1.00 0.41 C ATOM 830 O LEU A 55 8.402 4.549 2.194 1.00 0.46 O ATOM 831 CB LEU A 55 6.832 1.782 1.693 1.00 0.28 C ATOM 832 CG LEU A 55 6.685 0.414 1.016 1.00 0.26 C ATOM 833 CD1 LEU A 55 5.247 0.250 0.520 1.00 0.28 C ATOM 834 CD2 LEU A 55 7.664 0.263 -0.150 1.00 0.31 C ATOM 0 H LEU A 55 8.389 0.303 2.969 1.00 0.33 H new ATOM 0 HA LEU A 55 8.809 2.310 1.040 1.00 0.34 H new ATOM 0 HB2 LEU A 55 6.269 1.780 2.627 1.00 0.28 H new ATOM 0 HB3 LEU A 55 6.387 2.545 1.054 1.00 0.28 H new ATOM 0 HG LEU A 55 6.916 -0.362 1.745 1.00 0.26 H new ATOM 0 HD11 LEU A 55 5.137 -0.721 0.038 1.00 0.28 H new ATOM 0 HD12 LEU A 55 4.561 0.315 1.365 1.00 0.28 H new ATOM 0 HD13 LEU A 55 5.017 1.039 -0.196 1.00 0.28 H new ATOM 0 HD21 LEU A 55 7.535 -0.717 -0.609 1.00 0.31 H new ATOM 0 HD22 LEU A 55 7.470 1.039 -0.891 1.00 0.31 H new ATOM 0 HD23 LEU A 55 8.686 0.360 0.218 1.00 0.31 H new ATOM 846 N THR A 56 8.252 3.361 4.100 1.00 0.42 N ATOM 847 CA THR A 56 8.222 4.469 5.053 1.00 0.51 C ATOM 848 C THR A 56 7.990 3.873 6.444 1.00 0.47 C ATOM 849 O THR A 56 7.646 2.695 6.560 1.00 0.38 O ATOM 850 CB THR A 56 7.184 5.552 4.668 1.00 0.57 C ATOM 851 OG1 THR A 56 6.927 6.423 5.755 1.00 0.67 O ATOM 852 CG2 THR A 56 5.841 4.984 4.216 1.00 0.48 C ATOM 0 H THR A 56 8.197 2.452 4.560 1.00 0.42 H new ATOM 0 HA THR A 56 9.173 5.001 5.043 1.00 0.51 H new ATOM 0 HB THR A 56 7.638 6.082 3.831 1.00 0.57 H new ATOM 0 HG1 THR A 56 6.270 7.098 5.485 1.00 0.67 H new ATOM 0 HG21 THR A 56 5.167 5.802 3.963 1.00 0.48 H new ATOM 0 HG22 THR A 56 5.989 4.352 3.340 1.00 0.48 H new ATOM 0 HG23 THR A 56 5.407 4.392 5.021 1.00 0.48 H new ATOM 860 N SER A 57 8.130 4.673 7.503 1.00 0.57 N ATOM 861 CA SER A 57 7.725 4.290 8.847 1.00 0.56 C ATOM 862 C SER A 57 6.222 4.011 8.896 1.00 0.45 C ATOM 863 O SER A 57 5.795 3.078 9.570 1.00 0.39 O ATOM 864 CB SER A 57 8.104 5.396 9.831 1.00 0.72 C ATOM 865 OG SER A 57 9.461 5.738 9.641 1.00 1.22 O ATOM 0 H SER A 57 8.531 5.609 7.446 1.00 0.57 H new ATOM 0 HA SER A 57 8.244 3.374 9.129 1.00 0.56 H new ATOM 0 HB2 SER A 57 7.471 6.270 9.677 1.00 0.72 H new ATOM 0 HB3 SER A 57 7.941 5.061 10.855 1.00 0.72 H new ATOM 0 HG SER A 57 9.710 6.449 10.268 1.00 1.22 H new ATOM 871 N TYR A 58 5.413 4.772 8.146 1.00 0.49 N ATOM 872 CA TYR A 58 3.980 4.491 8.019 1.00 0.50 C ATOM 873 C TYR A 58 3.711 3.195 7.249 1.00 0.43 C ATOM 874 O TYR A 58 2.585 2.712 7.212 1.00 0.66 O ATOM 875 CB TYR A 58 3.245 5.667 7.351 1.00 0.72 C ATOM 876 CG TYR A 58 2.565 6.602 8.327 1.00 1.09 C ATOM 877 CD1 TYR A 58 1.672 6.073 9.277 1.00 1.04 C ATOM 878 CD2 TYR A 58 2.781 7.991 8.269 1.00 1.54 C ATOM 879 CE1 TYR A 58 1.031 6.909 10.204 1.00 1.38 C ATOM 880 CE2 TYR A 58 2.127 8.844 9.177 1.00 1.92 C ATOM 881 CZ TYR A 58 1.255 8.308 10.156 1.00 1.84 C ATOM 882 OH TYR A 58 0.634 9.146 11.035 1.00 2.23 O ATOM 0 H TYR A 58 5.728 5.586 7.619 1.00 0.49 H new ATOM 0 HA TYR A 58 3.594 4.361 9.030 1.00 0.50 H new ATOM 0 HB2 TYR A 58 3.958 6.236 6.755 1.00 0.72 H new ATOM 0 HB3 TYR A 58 2.498 5.271 6.662 1.00 0.72 H new ATOM 0 HD1 TYR A 58 1.478 5.011 9.293 1.00 1.04 H new ATOM 0 HD2 TYR A 58 3.449 8.403 7.527 1.00 1.54 H new ATOM 0 HE1 TYR A 58 0.371 6.489 10.949 1.00 1.38 H new ATOM 0 HE2 TYR A 58 2.290 9.910 9.127 1.00 1.92 H new ATOM 0 HH TYR A 58 0.955 10.062 10.897 1.00 2.23 H new ATOM 892 N GLY A 59 4.745 2.610 6.647 1.00 0.35 N ATOM 893 CA GLY A 59 4.670 1.321 6.002 1.00 0.35 C ATOM 894 C GLY A 59 5.001 0.202 6.977 1.00 0.32 C ATOM 895 O GLY A 59 5.017 -0.949 6.569 1.00 0.44 O ATOM 0 H GLY A 59 5.671 3.035 6.599 1.00 0.35 H new ATOM 0 HA2 GLY A 59 3.669 1.171 5.597 1.00 0.35 H new ATOM 0 HA3 GLY A 59 5.362 1.291 5.160 1.00 0.35 H new ATOM 899 N ARG A 60 5.258 0.505 8.253 1.00 0.35 N ATOM 900 CA ARG A 60 5.649 -0.490 9.246 1.00 0.44 C ATOM 901 C ARG A 60 4.760 -0.475 10.483 1.00 0.40 C ATOM 902 O ARG A 60 4.851 -1.394 11.290 1.00 0.57 O ATOM 903 CB ARG A 60 7.108 -0.243 9.641 1.00 0.57 C ATOM 904 CG ARG A 60 7.751 -1.467 10.315 1.00 0.81 C ATOM 905 CD ARG A 60 7.957 -1.295 11.823 1.00 1.43 C ATOM 906 NE ARG A 60 8.490 -2.535 12.410 1.00 1.66 N ATOM 907 CZ ARG A 60 9.088 -2.645 13.603 1.00 1.99 C ATOM 908 NH1 ARG A 60 9.247 -1.570 14.376 1.00 2.52 N ATOM 909 NH2 ARG A 60 9.528 -3.832 14.023 1.00 2.38 N ATOM 0 H ARG A 60 5.199 1.453 8.624 1.00 0.35 H new ATOM 0 HA ARG A 60 5.532 -1.476 8.796 1.00 0.44 H new ATOM 0 HB2 ARG A 60 7.682 0.022 8.753 1.00 0.57 H new ATOM 0 HB3 ARG A 60 7.158 0.609 10.319 1.00 0.57 H new ATOM 0 HG2 ARG A 60 7.123 -2.340 10.139 1.00 0.81 H new ATOM 0 HG3 ARG A 60 8.714 -1.667 9.845 1.00 0.81 H new ATOM 0 HD2 ARG A 60 8.645 -0.470 12.011 1.00 1.43 H new ATOM 0 HD3 ARG A 60 7.011 -1.036 12.299 1.00 1.43 H new ATOM 0 HE ARG A 60 8.395 -3.388 11.858 1.00 1.66 H new ATOM 0 HH11 ARG A 60 8.913 -0.660 14.059 1.00 2.52 H new ATOM 0 HH12 ARG A 60 9.703 -1.658 15.284 1.00 2.52 H new ATOM 0 HH21 ARG A 60 9.409 -4.657 13.435 1.00 2.38 H new ATOM 0 HH22 ARG A 60 9.983 -3.915 14.932 1.00 2.38 H new ATOM 923 N THR A 61 3.956 0.575 10.647 1.00 0.33 N ATOM 924 CA THR A 61 2.987 0.770 11.718 1.00 0.43 C ATOM 925 C THR A 61 1.951 -0.351 11.715 1.00 0.61 C ATOM 926 O THR A 61 2.224 -1.452 12.187 1.00 1.47 O ATOM 927 CB THR A 61 2.347 2.161 11.544 1.00 0.47 C ATOM 928 OG1 THR A 61 2.113 2.368 10.174 1.00 0.72 O ATOM 929 CG2 THR A 61 3.246 3.289 12.024 1.00 0.82 C ATOM 0 H THR A 61 3.967 1.359 9.994 1.00 0.33 H new ATOM 0 HA THR A 61 3.478 0.731 12.690 1.00 0.43 H new ATOM 0 HB THR A 61 1.433 2.175 12.138 1.00 0.47 H new ATOM 0 HG1 THR A 61 1.285 2.880 10.057 1.00 0.72 H new ATOM 0 HG21 THR A 61 2.742 4.244 11.876 1.00 0.82 H new ATOM 0 HG22 THR A 61 3.465 3.154 13.083 1.00 0.82 H new ATOM 0 HG23 THR A 61 4.177 3.279 11.457 1.00 0.82 H new ATOM 937 N ASN A 62 0.736 -0.087 11.234 1.00 0.55 N ATOM 938 CA ASN A 62 -0.253 -1.141 11.121 1.00 0.56 C ATOM 939 C ASN A 62 -0.161 -1.712 9.714 1.00 0.43 C ATOM 940 O ASN A 62 0.170 -0.981 8.783 1.00 0.45 O ATOM 941 CB ASN A 62 -1.659 -0.606 11.438 1.00 0.76 C ATOM 942 CG ASN A 62 -2.432 -1.611 12.283 1.00 1.05 C ATOM 943 OD1 ASN A 62 -1.925 -2.100 13.281 1.00 1.40 O ATOM 944 ND2 ASN A 62 -3.660 -1.946 11.914 1.00 2.08 N ATOM 0 H ASN A 62 0.423 0.833 10.923 1.00 0.55 H new ATOM 0 HA ASN A 62 -0.059 -1.932 11.845 1.00 0.56 H new ATOM 0 HB2 ASN A 62 -1.583 0.343 11.969 1.00 0.76 H new ATOM 0 HB3 ASN A 62 -2.198 -0.410 10.511 1.00 0.76 H new ATOM 0 HD21 ASN A 62 -4.192 -2.619 12.465 1.00 2.08 H new ATOM 0 HD22 ASN A 62 -4.073 -1.531 11.079 1.00 2.08 H new ATOM 951 N GLU A 63 -0.517 -2.983 9.521 1.00 0.46 N ATOM 952 CA GLU A 63 -0.530 -3.567 8.181 1.00 0.43 C ATOM 953 C GLU A 63 -1.476 -2.769 7.278 1.00 0.47 C ATOM 954 O GLU A 63 -1.175 -2.493 6.123 1.00 0.53 O ATOM 955 CB GLU A 63 -0.885 -5.058 8.278 1.00 0.58 C ATOM 956 CG GLU A 63 -0.541 -5.812 6.983 1.00 0.77 C ATOM 957 CD GLU A 63 -1.727 -6.049 6.051 1.00 2.22 C ATOM 958 OE1 GLU A 63 -2.718 -5.299 6.175 1.00 3.48 O ATOM 959 OE2 GLU A 63 -1.604 -6.975 5.214 1.00 2.96 O ATOM 0 H GLU A 63 -0.797 -3.620 10.266 1.00 0.46 H new ATOM 0 HA GLU A 63 0.457 -3.508 7.722 1.00 0.43 H new ATOM 0 HB2 GLU A 63 -0.347 -5.506 9.113 1.00 0.58 H new ATOM 0 HB3 GLU A 63 -1.949 -5.165 8.490 1.00 0.58 H new ATOM 0 HG2 GLU A 63 0.222 -5.251 6.443 1.00 0.77 H new ATOM 0 HG3 GLU A 63 -0.103 -6.775 7.244 1.00 0.77 H new ATOM 966 N ALA A 64 -2.576 -2.282 7.851 1.00 0.52 N ATOM 967 CA ALA A 64 -3.537 -1.440 7.159 1.00 0.59 C ATOM 968 C ALA A 64 -2.952 -0.121 6.658 1.00 0.57 C ATOM 969 O ALA A 64 -3.427 0.437 5.670 1.00 0.65 O ATOM 970 CB ALA A 64 -4.705 -1.173 8.100 1.00 0.68 C ATOM 0 H ALA A 64 -2.823 -2.467 8.823 1.00 0.52 H new ATOM 0 HA ALA A 64 -3.861 -1.975 6.266 1.00 0.59 H new ATOM 0 HB1 ALA A 64 -5.439 -0.542 7.599 1.00 0.68 H new ATOM 0 HB2 ALA A 64 -5.170 -2.118 8.380 1.00 0.68 H new ATOM 0 HB3 ALA A 64 -4.343 -0.668 8.995 1.00 0.68 H new ATOM 976 N GLU A 65 -1.969 0.433 7.366 1.00 0.50 N ATOM 977 CA GLU A 65 -1.312 1.647 6.914 1.00 0.50 C ATOM 978 C GLU A 65 -0.351 1.315 5.793 1.00 0.43 C ATOM 979 O GLU A 65 -0.304 2.036 4.808 1.00 0.49 O ATOM 980 CB GLU A 65 -0.576 2.343 8.051 1.00 0.54 C ATOM 981 CG GLU A 65 -1.558 2.616 9.184 1.00 0.67 C ATOM 982 CD GLU A 65 -1.158 3.871 9.948 1.00 0.97 C ATOM 983 OE1 GLU A 65 -0.209 3.767 10.758 1.00 2.25 O ATOM 984 OE2 GLU A 65 -1.769 4.924 9.662 1.00 1.88 O ATOM 0 H GLU A 65 -1.616 0.060 8.247 1.00 0.50 H new ATOM 0 HA GLU A 65 -2.076 2.334 6.550 1.00 0.50 H new ATOM 0 HB2 GLU A 65 0.244 1.719 8.406 1.00 0.54 H new ATOM 0 HB3 GLU A 65 -0.137 3.277 7.700 1.00 0.54 H new ATOM 0 HG2 GLU A 65 -2.564 2.734 8.781 1.00 0.67 H new ATOM 0 HG3 GLU A 65 -1.585 1.763 9.863 1.00 0.67 H new ATOM 991 N PHE A 66 0.380 0.210 5.916 1.00 0.34 N ATOM 992 CA PHE A 66 1.240 -0.291 4.860 1.00 0.32 C ATOM 993 C PHE A 66 0.473 -0.450 3.551 1.00 0.32 C ATOM 994 O PHE A 66 0.912 0.042 2.517 1.00 0.32 O ATOM 995 CB PHE A 66 1.869 -1.595 5.337 1.00 0.36 C ATOM 996 CG PHE A 66 2.528 -2.390 4.245 1.00 0.38 C ATOM 997 CD1 PHE A 66 3.828 -2.063 3.839 1.00 0.39 C ATOM 998 CD2 PHE A 66 1.858 -3.479 3.663 1.00 0.40 C ATOM 999 CE1 PHE A 66 4.461 -2.807 2.842 1.00 0.39 C ATOM 1000 CE2 PHE A 66 2.507 -4.252 2.690 1.00 0.42 C ATOM 1001 CZ PHE A 66 3.816 -3.924 2.295 1.00 0.41 C ATOM 0 H PHE A 66 0.389 -0.363 6.760 1.00 0.34 H new ATOM 0 HA PHE A 66 2.035 0.424 4.648 1.00 0.32 H new ATOM 0 HB2 PHE A 66 2.608 -1.370 6.106 1.00 0.36 H new ATOM 0 HB3 PHE A 66 1.099 -2.208 5.805 1.00 0.36 H new ATOM 0 HD1 PHE A 66 4.342 -1.232 4.299 1.00 0.39 H new ATOM 0 HD2 PHE A 66 0.849 -3.719 3.963 1.00 0.40 H new ATOM 0 HE1 PHE A 66 5.443 -2.523 2.494 1.00 0.39 H new ATOM 0 HE2 PHE A 66 2.003 -5.097 2.245 1.00 0.42 H new ATOM 0 HZ PHE A 66 4.327 -4.536 1.566 1.00 0.41 H new ATOM 1011 N PHE A 67 -0.665 -1.140 3.580 1.00 0.33 N ATOM 1012 CA PHE A 67 -1.462 -1.389 2.395 1.00 0.30 C ATOM 1013 C PHE A 67 -2.014 -0.074 1.836 1.00 0.29 C ATOM 1014 O PHE A 67 -1.895 0.204 0.644 1.00 0.30 O ATOM 1015 CB PHE A 67 -2.581 -2.375 2.748 1.00 0.32 C ATOM 1016 CG PHE A 67 -3.421 -2.743 1.547 1.00 0.31 C ATOM 1017 CD1 PHE A 67 -3.028 -3.805 0.712 1.00 0.35 C ATOM 1018 CD2 PHE A 67 -4.578 -2.002 1.252 1.00 0.37 C ATOM 1019 CE1 PHE A 67 -3.801 -4.140 -0.413 1.00 0.43 C ATOM 1020 CE2 PHE A 67 -5.348 -2.337 0.121 1.00 0.44 C ATOM 1021 CZ PHE A 67 -4.964 -3.408 -0.706 1.00 0.46 C ATOM 0 H PHE A 67 -1.056 -1.541 4.432 1.00 0.33 H new ATOM 0 HA PHE A 67 -0.844 -1.831 1.614 1.00 0.30 H new ATOM 0 HB2 PHE A 67 -2.145 -3.279 3.174 1.00 0.32 H new ATOM 0 HB3 PHE A 67 -3.220 -1.937 3.515 1.00 0.32 H new ATOM 0 HD1 PHE A 67 -2.131 -4.364 0.936 1.00 0.35 H new ATOM 0 HD2 PHE A 67 -4.875 -1.181 1.888 1.00 0.37 H new ATOM 0 HE1 PHE A 67 -3.502 -4.958 -1.051 1.00 0.43 H new ATOM 0 HE2 PHE A 67 -6.237 -1.769 -0.112 1.00 0.44 H new ATOM 0 HZ PHE A 67 -5.563 -3.668 -1.566 1.00 0.46 H new ATOM 1031 N ALA A 68 -2.627 0.748 2.687 1.00 0.32 N ATOM 1032 CA ALA A 68 -3.241 1.998 2.264 1.00 0.34 C ATOM 1033 C ALA A 68 -2.224 2.960 1.622 1.00 0.30 C ATOM 1034 O ALA A 68 -2.462 3.516 0.548 1.00 0.32 O ATOM 1035 CB ALA A 68 -3.931 2.587 3.492 1.00 0.39 C ATOM 0 H ALA A 68 -2.710 0.563 3.687 1.00 0.32 H new ATOM 0 HA ALA A 68 -3.973 1.822 1.476 1.00 0.34 H new ATOM 0 HB1 ALA A 68 -4.408 3.530 3.224 1.00 0.39 H new ATOM 0 HB2 ALA A 68 -4.685 1.889 3.856 1.00 0.39 H new ATOM 0 HB3 ALA A 68 -3.193 2.764 4.274 1.00 0.39 H new ATOM 1041 N GLU A 69 -1.074 3.150 2.267 1.00 0.27 N ATOM 1042 CA GLU A 69 0.056 3.904 1.734 1.00 0.25 C ATOM 1043 C GLU A 69 0.549 3.278 0.433 1.00 0.26 C ATOM 1044 O GLU A 69 0.886 3.993 -0.505 1.00 0.28 O ATOM 1045 CB GLU A 69 1.236 3.913 2.721 1.00 0.41 C ATOM 1046 CG GLU A 69 1.034 4.795 3.956 1.00 1.64 C ATOM 1047 CD GLU A 69 1.171 6.280 3.622 1.00 3.30 C ATOM 1048 OE1 GLU A 69 0.257 6.807 2.943 1.00 4.43 O ATOM 1049 OE2 GLU A 69 2.155 6.916 4.061 1.00 4.13 O ATOM 0 H GLU A 69 -0.899 2.773 3.199 1.00 0.27 H new ATOM 0 HA GLU A 69 -0.293 4.922 1.564 1.00 0.25 H new ATOM 0 HB2 GLU A 69 1.425 2.891 3.049 1.00 0.41 H new ATOM 0 HB3 GLU A 69 2.129 4.249 2.194 1.00 0.41 H new ATOM 0 HG2 GLU A 69 0.047 4.607 4.379 1.00 1.64 H new ATOM 0 HG3 GLU A 69 1.764 4.525 4.719 1.00 1.64 H new ATOM 1056 N ALA A 70 0.625 1.948 0.356 1.00 0.28 N ATOM 1057 CA ALA A 70 1.080 1.292 -0.858 1.00 0.32 C ATOM 1058 C ALA A 70 0.178 1.696 -2.020 1.00 0.34 C ATOM 1059 O ALA A 70 0.686 2.002 -3.090 1.00 0.39 O ATOM 1060 CB ALA A 70 1.148 -0.225 -0.679 1.00 0.34 C ATOM 0 H ALA A 70 0.378 1.314 1.116 1.00 0.28 H new ATOM 0 HA ALA A 70 2.095 1.618 -1.083 1.00 0.32 H new ATOM 0 HB1 ALA A 70 1.492 -0.686 -1.605 1.00 0.34 H new ATOM 0 HB2 ALA A 70 1.843 -0.466 0.126 1.00 0.34 H new ATOM 0 HB3 ALA A 70 0.158 -0.607 -0.430 1.00 0.34 H new ATOM 1066 N PHE A 71 -1.139 1.754 -1.803 1.00 0.34 N ATOM 1067 CA PHE A 71 -2.116 2.280 -2.754 1.00 0.36 C ATOM 1068 C PHE A 71 -1.763 3.694 -3.191 1.00 0.35 C ATOM 1069 O PHE A 71 -1.700 3.956 -4.393 1.00 0.39 O ATOM 1070 CB PHE A 71 -3.524 2.218 -2.145 1.00 0.39 C ATOM 1071 CG PHE A 71 -4.497 1.381 -2.944 1.00 0.92 C ATOM 1072 CD1 PHE A 71 -5.176 1.943 -4.042 1.00 1.40 C ATOM 1073 CD2 PHE A 71 -4.748 0.047 -2.572 1.00 2.45 C ATOM 1074 CE1 PHE A 71 -6.106 1.175 -4.763 1.00 1.93 C ATOM 1075 CE2 PHE A 71 -5.686 -0.715 -3.287 1.00 3.21 C ATOM 1076 CZ PHE A 71 -6.362 -0.155 -4.384 1.00 2.65 C ATOM 0 H PHE A 71 -1.564 1.427 -0.936 1.00 0.34 H new ATOM 0 HA PHE A 71 -2.097 1.657 -3.649 1.00 0.36 H new ATOM 0 HB2 PHE A 71 -3.456 1.814 -1.135 1.00 0.39 H new ATOM 0 HB3 PHE A 71 -3.917 3.231 -2.057 1.00 0.39 H new ATOM 0 HD1 PHE A 71 -4.982 2.966 -4.330 1.00 1.40 H new ATOM 0 HD2 PHE A 71 -4.220 -0.390 -1.738 1.00 2.45 H new ATOM 0 HE1 PHE A 71 -6.624 1.606 -5.607 1.00 1.93 H new ATOM 0 HE2 PHE A 71 -5.888 -1.734 -2.993 1.00 3.21 H new ATOM 0 HZ PHE A 71 -7.078 -0.746 -4.936 1.00 2.65 H new ATOM 1086 N ARG A 72 -1.537 4.609 -2.241 1.00 0.33 N ATOM 1087 CA ARG A 72 -1.132 5.979 -2.552 1.00 0.33 C ATOM 1088 C ARG A 72 0.025 5.953 -3.552 1.00 0.34 C ATOM 1089 O ARG A 72 -0.109 6.430 -4.676 1.00 0.39 O ATOM 1090 CB ARG A 72 -0.792 6.722 -1.248 1.00 0.32 C ATOM 1091 CG ARG A 72 -0.033 8.041 -1.450 1.00 0.42 C ATOM 1092 CD ARG A 72 0.257 8.657 -0.077 1.00 0.54 C ATOM 1093 NE ARG A 72 1.584 9.293 -0.021 1.00 0.79 N ATOM 1094 CZ ARG A 72 2.341 9.367 1.085 1.00 1.18 C ATOM 1095 NH1 ARG A 72 1.880 8.897 2.238 1.00 2.32 N ATOM 1096 NH2 ARG A 72 3.575 9.860 1.027 1.00 1.51 N ATOM 0 H ARG A 72 -1.630 4.420 -1.243 1.00 0.33 H new ATOM 0 HA ARG A 72 -1.947 6.527 -3.025 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -1.717 6.928 -0.709 1.00 0.32 H new ATOM 0 HB3 ARG A 72 -0.194 6.066 -0.615 1.00 0.32 H new ATOM 0 HG2 ARG A 72 0.898 7.863 -1.988 1.00 0.42 H new ATOM 0 HG3 ARG A 72 -0.624 8.728 -2.055 1.00 0.42 H new ATOM 0 HD2 ARG A 72 -0.509 9.397 0.156 1.00 0.54 H new ATOM 0 HD3 ARG A 72 0.195 7.882 0.687 1.00 0.54 H new ATOM 0 HE ARG A 72 1.952 9.704 -0.879 1.00 0.79 H new ATOM 0 HH11 ARG A 72 0.950 8.480 2.283 1.00 2.32 H new ATOM 0 HH12 ARG A 72 2.455 8.953 3.078 1.00 2.32 H new ATOM 0 HH21 ARG A 72 3.953 10.185 0.137 1.00 1.51 H new ATOM 0 HH22 ARG A 72 4.143 9.913 1.872 1.00 1.51 H new ATOM 1110 N LEU A 73 1.135 5.350 -3.147 1.00 0.33 N ATOM 1111 CA LEU A 73 2.374 5.281 -3.905 1.00 0.33 C ATOM 1112 C LEU A 73 2.171 4.556 -5.229 1.00 0.38 C ATOM 1113 O LEU A 73 2.886 4.835 -6.182 1.00 0.53 O ATOM 1114 CB LEU A 73 3.439 4.593 -3.063 1.00 0.32 C ATOM 1115 CG LEU A 73 3.945 5.334 -1.799 1.00 0.28 C ATOM 1116 CD1 LEU A 73 5.383 5.848 -1.960 1.00 0.37 C ATOM 1117 CD2 LEU A 73 3.117 6.522 -1.308 1.00 0.29 C ATOM 0 H LEU A 73 1.198 4.877 -2.245 1.00 0.33 H new ATOM 0 HA LEU A 73 2.702 6.293 -4.141 1.00 0.33 H new ATOM 0 HB2 LEU A 73 3.047 3.625 -2.750 1.00 0.32 H new ATOM 0 HB3 LEU A 73 4.299 4.397 -3.704 1.00 0.32 H new ATOM 0 HG LEU A 73 3.860 4.544 -1.052 1.00 0.28 H new ATOM 0 HD11 LEU A 73 5.691 6.359 -1.048 1.00 0.37 H new ATOM 0 HD12 LEU A 73 6.051 5.007 -2.148 1.00 0.37 H new ATOM 0 HD13 LEU A 73 5.429 6.543 -2.799 1.00 0.37 H new ATOM 0 HD21 LEU A 73 3.582 6.947 -0.419 1.00 0.29 H new ATOM 0 HD22 LEU A 73 3.069 7.280 -2.090 1.00 0.29 H new ATOM 0 HD23 LEU A 73 2.109 6.187 -1.065 1.00 0.29 H new ATOM 1129 N MET A 74 1.211 3.635 -5.315 1.00 0.37 N ATOM 1130 CA MET A 74 0.941 2.870 -6.531 1.00 0.42 C ATOM 1131 C MET A 74 0.506 3.795 -7.667 1.00 0.49 C ATOM 1132 O MET A 74 0.853 3.578 -8.831 1.00 0.54 O ATOM 1133 CB MET A 74 -0.137 1.795 -6.288 1.00 0.56 C ATOM 1134 CG MET A 74 0.166 0.501 -7.053 1.00 0.89 C ATOM 1135 SD MET A 74 -1.105 -0.097 -8.200 1.00 1.56 S ATOM 1136 CE MET A 74 -0.814 0.996 -9.613 1.00 2.51 C ATOM 0 H MET A 74 0.595 3.398 -4.537 1.00 0.37 H new ATOM 0 HA MET A 74 1.867 2.370 -6.816 1.00 0.42 H new ATOM 0 HB2 MET A 74 -0.202 1.580 -5.221 1.00 0.56 H new ATOM 0 HB3 MET A 74 -1.110 2.180 -6.595 1.00 0.56 H new ATOM 0 HG2 MET A 74 1.087 0.649 -7.616 1.00 0.89 H new ATOM 0 HG3 MET A 74 0.361 -0.285 -6.324 1.00 0.89 H new ATOM 0 HE1 MET A 74 -1.275 0.569 -10.504 1.00 2.51 H new ATOM 0 HE2 MET A 74 -1.250 1.974 -9.412 1.00 2.51 H new ATOM 0 HE3 MET A 74 0.259 1.103 -9.775 1.00 2.51 H new ATOM 1146 N HIS A 75 -0.327 4.791 -7.350 1.00 0.53 N ATOM 1147 CA HIS A 75 -0.824 5.724 -8.354 1.00 0.65 C ATOM 1148 C HIS A 75 -0.015 7.016 -8.429 1.00 0.67 C ATOM 1149 O HIS A 75 -0.199 7.724 -9.415 1.00 0.92 O ATOM 1150 CB HIS A 75 -2.314 6.029 -8.161 1.00 0.72 C ATOM 1151 CG HIS A 75 -2.552 7.024 -7.063 1.00 0.72 C ATOM 1152 ND1 HIS A 75 -2.415 8.399 -7.181 1.00 0.78 N ATOM 1153 CD2 HIS A 75 -2.757 6.708 -5.753 1.00 0.89 C ATOM 1154 CE1 HIS A 75 -2.518 8.915 -5.942 1.00 0.95 C ATOM 1155 NE2 HIS A 75 -2.723 7.907 -5.073 1.00 1.01 N ATOM 0 H HIS A 75 -0.669 4.968 -6.405 1.00 0.53 H new ATOM 0 HA HIS A 75 -0.698 5.217 -9.311 1.00 0.65 H new ATOM 0 HB2 HIS A 75 -2.728 6.413 -9.093 1.00 0.72 H new ATOM 0 HB3 HIS A 75 -2.846 5.105 -7.933 1.00 0.72 H new ATOM 0 HD1 HIS A 75 -2.265 8.921 -8.044 1.00 0.78 H new ATOM 0 HD2 HIS A 75 -2.913 5.724 -5.335 1.00 0.89 H new ATOM 0 HE1 HIS A 75 -2.448 9.962 -5.687 1.00 0.95 H new ATOM 1164 N SER A 76 0.746 7.383 -7.386 1.00 0.58 N ATOM 1165 CA SER A 76 1.441 8.658 -7.244 1.00 0.62 C ATOM 1166 C SER A 76 1.883 9.211 -8.584 1.00 0.73 C ATOM 1167 O SER A 76 2.694 8.623 -9.282 1.00 0.89 O ATOM 1168 CB SER A 76 2.615 8.515 -6.278 1.00 0.66 C ATOM 1169 OG SER A 76 2.096 8.405 -4.971 1.00 1.17 O ATOM 0 H SER A 76 0.896 6.767 -6.587 1.00 0.58 H new ATOM 0 HA SER A 76 0.740 9.381 -6.826 1.00 0.62 H new ATOM 0 HB2 SER A 76 3.208 7.635 -6.527 1.00 0.66 H new ATOM 0 HB3 SER A 76 3.277 9.378 -6.353 1.00 0.66 H new ATOM 0 HG SER A 76 2.800 8.609 -4.321 1.00 1.17 H new ATOM 1175 N THR A 77 1.297 10.352 -8.933 1.00 0.76 N ATOM 1176 CA THR A 77 1.497 11.066 -10.185 1.00 0.89 C ATOM 1177 C THR A 77 2.979 11.159 -10.530 1.00 0.89 C ATOM 1178 O THR A 77 3.377 11.009 -11.687 1.00 0.98 O ATOM 1179 CB THR A 77 0.864 12.452 -10.027 1.00 1.01 C ATOM 1180 OG1 THR A 77 1.030 12.913 -8.699 1.00 0.97 O ATOM 1181 CG2 THR A 77 -0.640 12.378 -10.296 1.00 1.15 C ATOM 0 H THR A 77 0.636 10.826 -8.317 1.00 0.76 H new ATOM 0 HA THR A 77 1.025 10.534 -11.011 1.00 0.89 H new ATOM 0 HB THR A 77 1.349 13.125 -10.734 1.00 1.01 H new ATOM 0 HG1 THR A 77 0.624 13.800 -8.608 1.00 0.97 H new ATOM 0 HG21 THR A 77 -1.079 13.369 -10.181 1.00 1.15 H new ATOM 0 HG22 THR A 77 -0.811 12.021 -11.312 1.00 1.15 H new ATOM 0 HG23 THR A 77 -1.103 11.691 -9.587 1.00 1.15 H new ATOM 1189 N ASP A 78 3.796 11.389 -9.506 1.00 0.83 N ATOM 1190 CA ASP A 78 5.231 11.236 -9.633 1.00 0.87 C ATOM 1191 C ASP A 78 5.574 9.774 -9.937 1.00 0.82 C ATOM 1192 O ASP A 78 5.573 8.910 -9.061 1.00 0.71 O ATOM 1193 CB ASP A 78 5.926 11.712 -8.358 1.00 0.90 C ATOM 1194 CG ASP A 78 7.404 11.356 -8.427 1.00 1.12 C ATOM 1195 OD1 ASP A 78 7.933 11.329 -9.563 1.00 1.40 O ATOM 1196 OD2 ASP A 78 7.967 11.018 -7.365 1.00 2.48 O ATOM 0 H ASP A 78 3.483 11.682 -8.581 1.00 0.83 H new ATOM 0 HA ASP A 78 5.587 11.850 -10.460 1.00 0.87 H new ATOM 0 HB2 ASP A 78 5.805 12.789 -8.245 1.00 0.90 H new ATOM 0 HB3 ASP A 78 5.468 11.246 -7.485 1.00 0.90 H new ATOM 1201 N HIS A 79 5.928 9.497 -11.193 1.00 0.94 N ATOM 1202 CA HIS A 79 6.372 8.168 -11.591 1.00 0.94 C ATOM 1203 C HIS A 79 7.492 7.657 -10.691 1.00 0.86 C ATOM 1204 O HIS A 79 7.560 6.449 -10.463 1.00 0.79 O ATOM 1205 CB HIS A 79 6.794 8.134 -13.065 1.00 1.10 C ATOM 1206 CG HIS A 79 5.636 7.865 -13.992 1.00 1.68 C ATOM 1207 ND1 HIS A 79 5.372 6.656 -14.611 1.00 3.24 N ATOM 1208 CD2 HIS A 79 4.656 8.751 -14.341 1.00 3.28 C ATOM 1209 CE1 HIS A 79 4.247 6.810 -15.335 1.00 4.64 C ATOM 1210 NE2 HIS A 79 3.798 8.076 -15.190 1.00 4.67 N ATOM 0 H HIS A 79 5.914 10.180 -11.951 1.00 0.94 H new ATOM 0 HA HIS A 79 5.521 7.498 -11.473 1.00 0.94 H new ATOM 0 HB2 HIS A 79 7.253 9.086 -13.330 1.00 1.10 H new ATOM 0 HB3 HIS A 79 7.553 7.364 -13.204 1.00 1.10 H new ATOM 0 HD2 HIS A 79 4.569 9.778 -14.017 1.00 3.28 H new ATOM 0 HE1 HIS A 79 3.779 6.044 -15.935 1.00 4.64 H new ATOM 0 HE2 HIS A 79 2.966 8.468 -15.632 1.00 4.67 H new ATOM 1219 N ALA A 80 8.368 8.534 -10.199 1.00 0.90 N ATOM 1220 CA ALA A 80 9.437 8.103 -9.322 1.00 0.89 C ATOM 1221 C ALA A 80 8.857 7.435 -8.087 1.00 0.69 C ATOM 1222 O ALA A 80 9.228 6.303 -7.819 1.00 0.55 O ATOM 1223 CB ALA A 80 10.334 9.264 -8.924 1.00 1.05 C ATOM 0 H ALA A 80 8.353 9.535 -10.395 1.00 0.90 H new ATOM 0 HA ALA A 80 10.050 7.384 -9.865 1.00 0.89 H new ATOM 0 HB1 ALA A 80 11.125 8.904 -8.266 1.00 1.05 H new ATOM 0 HB2 ALA A 80 10.777 9.704 -9.817 1.00 1.05 H new ATOM 0 HB3 ALA A 80 9.744 10.018 -8.403 1.00 1.05 H new ATOM 1229 N GLU A 81 7.950 8.092 -7.353 1.00 0.71 N ATOM 1230 CA GLU A 81 7.297 7.552 -6.166 1.00 0.57 C ATOM 1231 C GLU A 81 6.885 6.109 -6.380 1.00 0.48 C ATOM 1232 O GLU A 81 7.141 5.230 -5.554 1.00 0.45 O ATOM 1233 CB GLU A 81 6.079 8.399 -5.768 1.00 0.52 C ATOM 1234 CG GLU A 81 6.318 9.313 -4.564 1.00 0.66 C ATOM 1235 CD GLU A 81 4.979 9.885 -4.094 1.00 1.66 C ATOM 1236 OE1 GLU A 81 4.292 9.189 -3.308 1.00 2.61 O ATOM 1237 OE2 GLU A 81 4.585 10.962 -4.589 1.00 2.71 O ATOM 0 H GLU A 81 7.646 9.039 -7.579 1.00 0.71 H new ATOM 0 HA GLU A 81 8.020 7.587 -5.351 1.00 0.57 H new ATOM 0 HB2 GLU A 81 5.781 9.010 -6.620 1.00 0.52 H new ATOM 0 HB3 GLU A 81 5.245 7.734 -5.545 1.00 0.52 H new ATOM 0 HG2 GLU A 81 6.792 8.755 -3.757 1.00 0.66 H new ATOM 0 HG3 GLU A 81 6.998 10.121 -4.835 1.00 0.66 H new ATOM 1244 N ARG A 82 6.274 5.862 -7.530 1.00 0.47 N ATOM 1245 CA ARG A 82 5.764 4.536 -7.821 1.00 0.39 C ATOM 1246 C ARG A 82 6.923 3.555 -7.902 1.00 0.35 C ATOM 1247 O ARG A 82 6.900 2.507 -7.263 1.00 0.29 O ATOM 1248 CB ARG A 82 5.003 4.557 -9.138 1.00 0.47 C ATOM 1249 CG ARG A 82 3.792 5.477 -9.040 1.00 0.53 C ATOM 1250 CD ARG A 82 3.307 5.794 -10.443 1.00 0.55 C ATOM 1251 NE ARG A 82 2.366 4.771 -10.913 1.00 0.67 N ATOM 1252 CZ ARG A 82 2.628 3.691 -11.652 1.00 1.87 C ATOM 1253 NH1 ARG A 82 3.867 3.441 -12.076 1.00 3.27 N ATOM 1254 NH2 ARG A 82 1.636 2.850 -11.947 1.00 1.99 N ATOM 0 H ARG A 82 6.122 6.553 -8.265 1.00 0.47 H new ATOM 0 HA ARG A 82 5.086 4.223 -7.027 1.00 0.39 H new ATOM 0 HB2 ARG A 82 5.660 4.895 -9.939 1.00 0.47 H new ATOM 0 HB3 ARG A 82 4.681 3.548 -9.395 1.00 0.47 H new ATOM 0 HG2 ARG A 82 2.999 4.998 -8.465 1.00 0.53 H new ATOM 0 HG3 ARG A 82 4.056 6.395 -8.515 1.00 0.53 H new ATOM 0 HD2 ARG A 82 2.824 6.771 -10.453 1.00 0.55 H new ATOM 0 HD3 ARG A 82 4.158 5.852 -11.122 1.00 0.55 H new ATOM 0 HE ARG A 82 1.391 4.901 -10.641 1.00 0.67 H new ATOM 0 HH11 ARG A 82 4.626 4.078 -11.836 1.00 3.27 H new ATOM 0 HH12 ARG A 82 4.055 2.612 -12.640 1.00 3.27 H new ATOM 0 HH21 ARG A 82 0.692 3.036 -11.609 1.00 1.99 H new ATOM 0 HH22 ARG A 82 1.821 2.020 -12.511 1.00 1.99 H new ATOM 1268 N LEU A 83 7.940 3.887 -8.697 1.00 0.41 N ATOM 1269 CA LEU A 83 9.135 3.071 -8.807 1.00 0.41 C ATOM 1270 C LEU A 83 9.950 3.029 -7.519 1.00 0.41 C ATOM 1271 O LEU A 83 10.736 2.103 -7.374 1.00 0.41 O ATOM 1272 CB LEU A 83 10.029 3.505 -9.974 1.00 0.47 C ATOM 1273 CG LEU A 83 9.580 2.995 -11.350 1.00 0.49 C ATOM 1274 CD1 LEU A 83 8.990 1.583 -11.325 1.00 0.46 C ATOM 1275 CD2 LEU A 83 8.553 3.919 -12.002 1.00 0.52 C ATOM 0 H LEU A 83 7.953 4.726 -9.277 1.00 0.41 H new ATOM 0 HA LEU A 83 8.772 2.062 -9.003 1.00 0.41 H new ATOM 0 HB2 LEU A 83 10.066 4.594 -10.000 1.00 0.47 H new ATOM 0 HB3 LEU A 83 11.044 3.156 -9.786 1.00 0.47 H new ATOM 0 HG LEU A 83 10.500 2.977 -11.934 1.00 0.49 H new ATOM 0 HD11 LEU A 83 8.696 1.293 -12.334 1.00 0.46 H new ATOM 0 HD12 LEU A 83 9.737 0.883 -10.950 1.00 0.46 H new ATOM 0 HD13 LEU A 83 8.116 1.565 -10.674 1.00 0.46 H new ATOM 0 HD21 LEU A 83 8.266 3.516 -12.973 1.00 0.52 H new ATOM 0 HD22 LEU A 83 7.672 3.991 -11.364 1.00 0.52 H new ATOM 0 HD23 LEU A 83 8.987 4.910 -12.134 1.00 0.52 H new ATOM 1287 N LYS A 84 9.793 3.951 -6.567 1.00 0.43 N ATOM 1288 CA LYS A 84 10.407 3.739 -5.262 1.00 0.45 C ATOM 1289 C LYS A 84 9.693 2.563 -4.618 1.00 0.35 C ATOM 1290 O LYS A 84 10.349 1.688 -4.076 1.00 0.40 O ATOM 1291 CB LYS A 84 10.352 4.977 -4.348 1.00 0.54 C ATOM 1292 CG LYS A 84 11.544 5.937 -4.510 1.00 0.72 C ATOM 1293 CD LYS A 84 11.215 7.157 -5.379 1.00 0.85 C ATOM 1294 CE LYS A 84 12.351 8.187 -5.423 1.00 1.01 C ATOM 1295 NZ LYS A 84 12.617 8.802 -4.105 1.00 1.86 N ATOM 0 H LYS A 84 9.267 4.819 -6.670 1.00 0.43 H new ATOM 0 HA LYS A 84 11.469 3.538 -5.402 1.00 0.45 H new ATOM 0 HB2 LYS A 84 9.431 5.523 -4.550 1.00 0.54 H new ATOM 0 HB3 LYS A 84 10.305 4.646 -3.310 1.00 0.54 H new ATOM 0 HG2 LYS A 84 11.868 6.275 -3.526 1.00 0.72 H new ATOM 0 HG3 LYS A 84 12.381 5.397 -4.953 1.00 0.72 H new ATOM 0 HD2 LYS A 84 10.994 6.824 -6.393 1.00 0.85 H new ATOM 0 HD3 LYS A 84 10.313 7.635 -4.997 1.00 0.85 H new ATOM 0 HE2 LYS A 84 13.259 7.704 -5.784 1.00 1.01 H new ATOM 0 HE3 LYS A 84 12.099 8.969 -6.140 1.00 1.01 H new ATOM 0 HZ1 LYS A 84 13.269 9.604 -4.221 1.00 1.86 H new ATOM 0 HZ2 LYS A 84 11.724 9.139 -3.693 1.00 1.86 H new ATOM 0 HZ3 LYS A 84 13.045 8.096 -3.473 1.00 1.86 H new ATOM 1309 N VAL A 85 8.365 2.503 -4.684 1.00 0.28 N ATOM 1310 CA VAL A 85 7.674 1.351 -4.128 1.00 0.23 C ATOM 1311 C VAL A 85 8.036 0.072 -4.867 1.00 0.25 C ATOM 1312 O VAL A 85 8.327 -0.903 -4.197 1.00 0.47 O ATOM 1313 CB VAL A 85 6.168 1.598 -3.993 1.00 0.25 C ATOM 1314 CG1 VAL A 85 5.393 0.366 -3.507 1.00 0.31 C ATOM 1315 CG2 VAL A 85 6.037 2.686 -2.935 1.00 0.38 C ATOM 0 H VAL A 85 7.766 3.214 -5.103 1.00 0.28 H new ATOM 0 HA VAL A 85 8.027 1.204 -3.107 1.00 0.23 H new ATOM 0 HB VAL A 85 5.755 1.861 -4.967 1.00 0.25 H new ATOM 0 HG11 VAL A 85 4.333 0.609 -3.433 1.00 0.31 H new ATOM 0 HG12 VAL A 85 5.529 -0.452 -4.214 1.00 0.31 H new ATOM 0 HG13 VAL A 85 5.765 0.065 -2.528 1.00 0.31 H new ATOM 0 HG21 VAL A 85 4.983 2.919 -2.781 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.472 2.337 -1.998 1.00 0.38 H new ATOM 0 HG23 VAL A 85 6.562 3.582 -3.267 1.00 0.38 H new ATOM 1325 N GLN A 86 8.059 0.011 -6.199 1.00 0.26 N ATOM 1326 CA GLN A 86 8.447 -1.249 -6.834 1.00 0.32 C ATOM 1327 C GLN A 86 9.885 -1.633 -6.496 1.00 0.36 C ATOM 1328 O GLN A 86 10.153 -2.776 -6.144 1.00 0.44 O ATOM 1329 CB GLN A 86 8.302 -1.193 -8.362 1.00 0.45 C ATOM 1330 CG GLN A 86 6.882 -1.515 -8.823 1.00 0.63 C ATOM 1331 CD GLN A 86 6.887 -2.272 -10.148 1.00 1.03 C ATOM 1332 OE1 GLN A 86 7.112 -1.694 -11.203 1.00 1.72 O ATOM 1333 NE2 GLN A 86 6.659 -3.580 -10.112 1.00 1.71 N ATOM 0 H GLN A 86 7.827 0.776 -6.832 1.00 0.26 H new ATOM 0 HA GLN A 86 7.767 -2.003 -6.438 1.00 0.32 H new ATOM 0 HB2 GLN A 86 8.579 -0.200 -8.715 1.00 0.45 H new ATOM 0 HB3 GLN A 86 8.998 -1.898 -8.817 1.00 0.45 H new ATOM 0 HG2 GLN A 86 6.377 -2.111 -8.063 1.00 0.63 H new ATOM 0 HG3 GLN A 86 6.314 -0.591 -8.932 1.00 0.63 H new ATOM 0 HE21 GLN A 86 6.474 -4.041 -9.221 1.00 1.71 H new ATOM 0 HE22 GLN A 86 6.669 -4.123 -10.975 1.00 1.71 H new ATOM 1342 N LYS A 87 10.829 -0.709 -6.653 1.00 0.36 N ATOM 1343 CA LYS A 87 12.237 -0.974 -6.436 1.00 0.42 C ATOM 1344 C LYS A 87 12.469 -1.473 -5.014 1.00 0.41 C ATOM 1345 O LYS A 87 13.111 -2.498 -4.808 1.00 0.45 O ATOM 1346 CB LYS A 87 13.019 0.308 -6.742 1.00 0.54 C ATOM 1347 CG LYS A 87 14.511 0.052 -6.567 1.00 0.94 C ATOM 1348 CD LYS A 87 15.347 1.258 -6.997 1.00 0.98 C ATOM 1349 CE LYS A 87 16.676 0.705 -7.507 1.00 2.01 C ATOM 1350 NZ LYS A 87 17.671 1.769 -7.756 1.00 2.15 N ATOM 0 H LYS A 87 10.630 0.250 -6.937 1.00 0.36 H new ATOM 0 HA LYS A 87 12.589 -1.763 -7.101 1.00 0.42 H new ATOM 0 HB2 LYS A 87 12.813 0.637 -7.761 1.00 0.54 H new ATOM 0 HB3 LYS A 87 12.697 1.110 -6.077 1.00 0.54 H new ATOM 0 HG2 LYS A 87 14.720 -0.182 -5.523 1.00 0.94 H new ATOM 0 HG3 LYS A 87 14.802 -0.820 -7.153 1.00 0.94 H new ATOM 0 HD2 LYS A 87 14.838 1.825 -7.777 1.00 0.98 H new ATOM 0 HD3 LYS A 87 15.505 1.938 -6.160 1.00 0.98 H new ATOM 0 HE2 LYS A 87 17.077 0.000 -6.778 1.00 2.01 H new ATOM 0 HE3 LYS A 87 16.505 0.148 -8.428 1.00 2.01 H new ATOM 0 HZ1 LYS A 87 18.555 1.344 -8.101 1.00 2.15 H new ATOM 0 HZ2 LYS A 87 17.303 2.428 -8.471 1.00 2.15 H new ATOM 0 HZ3 LYS A 87 17.856 2.285 -6.872 1.00 2.15 H new ATOM 1364 N ASN A 88 11.966 -0.724 -4.036 1.00 0.39 N ATOM 1365 CA ASN A 88 12.108 -1.039 -2.625 1.00 0.37 C ATOM 1366 C ASN A 88 11.329 -2.304 -2.282 1.00 0.46 C ATOM 1367 O ASN A 88 11.744 -3.033 -1.391 1.00 0.90 O ATOM 1368 CB ASN A 88 11.602 0.118 -1.748 1.00 0.40 C ATOM 1369 CG ASN A 88 12.411 1.406 -1.885 1.00 0.52 C ATOM 1370 OD1 ASN A 88 13.162 1.601 -2.837 1.00 0.86 O ATOM 1371 ND2 ASN A 88 12.273 2.318 -0.931 1.00 1.04 N ATOM 0 H ASN A 88 11.440 0.133 -4.209 1.00 0.39 H new ATOM 0 HA ASN A 88 13.168 -1.197 -2.426 1.00 0.37 H new ATOM 0 HB2 ASN A 88 10.563 0.326 -2.004 1.00 0.40 H new ATOM 0 HB3 ASN A 88 11.617 -0.198 -0.705 1.00 0.40 H new ATOM 0 HD21 ASN A 88 12.794 3.193 -0.983 1.00 1.04 H new ATOM 0 HD22 ASN A 88 11.646 2.144 -0.146 1.00 1.04 H new ATOM 1378 N ALA A 89 10.196 -2.530 -2.956 1.00 0.30 N ATOM 1379 CA ALA A 89 9.246 -3.600 -2.696 1.00 0.30 C ATOM 1380 C ALA A 89 8.803 -4.244 -4.009 1.00 0.36 C ATOM 1381 O ALA A 89 7.730 -3.923 -4.532 1.00 0.43 O ATOM 1382 CB ALA A 89 8.013 -3.055 -1.974 1.00 0.36 C ATOM 0 H ALA A 89 9.909 -1.938 -3.735 1.00 0.30 H new ATOM 0 HA ALA A 89 9.737 -4.344 -2.068 1.00 0.30 H new ATOM 0 HB1 ALA A 89 7.312 -3.868 -1.787 1.00 0.36 H new ATOM 0 HB2 ALA A 89 8.314 -2.610 -1.026 1.00 0.36 H new ATOM 0 HB3 ALA A 89 7.533 -2.298 -2.594 1.00 0.36 H new ATOM 1388 N PRO A 90 9.575 -5.202 -4.533 1.00 0.46 N ATOM 1389 CA PRO A 90 9.314 -5.833 -5.821 1.00 0.58 C ATOM 1390 C PRO A 90 8.254 -6.940 -5.697 1.00 0.74 C ATOM 1391 O PRO A 90 8.450 -8.058 -6.165 1.00 1.64 O ATOM 1392 CB PRO A 90 10.691 -6.355 -6.252 1.00 0.69 C ATOM 1393 CG PRO A 90 11.358 -6.712 -4.923 1.00 0.65 C ATOM 1394 CD PRO A 90 10.868 -5.598 -4.003 1.00 0.54 C ATOM 0 HA PRO A 90 8.894 -5.153 -6.562 1.00 0.58 H new ATOM 0 HB2 PRO A 90 10.606 -7.223 -6.906 1.00 0.69 H new ATOM 0 HB3 PRO A 90 11.256 -5.599 -6.797 1.00 0.69 H new ATOM 0 HG2 PRO A 90 11.054 -7.696 -4.567 1.00 0.65 H new ATOM 0 HG3 PRO A 90 12.445 -6.724 -5.004 1.00 0.65 H new ATOM 0 HD2 PRO A 90 10.781 -5.948 -2.974 1.00 0.54 H new ATOM 0 HD3 PRO A 90 11.564 -4.759 -3.997 1.00 0.54 H new ATOM 1402 N LYS A 91 7.127 -6.643 -5.044 1.00 0.51 N ATOM 1403 CA LYS A 91 6.063 -7.578 -4.714 1.00 0.53 C ATOM 1404 C LYS A 91 4.829 -6.821 -4.226 1.00 0.53 C ATOM 1405 O LYS A 91 3.756 -6.981 -4.799 1.00 0.66 O ATOM 1406 CB LYS A 91 6.579 -8.630 -3.715 1.00 0.55 C ATOM 1407 CG LYS A 91 7.302 -8.035 -2.490 1.00 1.09 C ATOM 1408 CD LYS A 91 8.389 -8.962 -1.920 1.00 1.17 C ATOM 1409 CE LYS A 91 7.995 -9.558 -0.559 1.00 1.92 C ATOM 1410 NZ LYS A 91 9.166 -10.064 0.195 1.00 2.35 N ATOM 0 H LYS A 91 6.928 -5.697 -4.718 1.00 0.51 H new ATOM 0 HA LYS A 91 5.752 -8.125 -5.604 1.00 0.53 H new ATOM 0 HB2 LYS A 91 5.738 -9.231 -3.370 1.00 0.55 H new ATOM 0 HB3 LYS A 91 7.261 -9.304 -4.234 1.00 0.55 H new ATOM 0 HG2 LYS A 91 7.755 -7.084 -2.770 1.00 1.09 H new ATOM 0 HG3 LYS A 91 6.569 -7.823 -1.711 1.00 1.09 H new ATOM 0 HD2 LYS A 91 8.580 -9.770 -2.626 1.00 1.17 H new ATOM 0 HD3 LYS A 91 9.319 -8.404 -1.814 1.00 1.17 H new ATOM 0 HE2 LYS A 91 7.485 -8.798 0.034 1.00 1.92 H new ATOM 0 HE3 LYS A 91 7.286 -10.371 -0.713 1.00 1.92 H new ATOM 0 HZ1 LYS A 91 8.840 -10.576 1.040 1.00 2.35 H new ATOM 0 HZ2 LYS A 91 9.716 -10.708 -0.409 1.00 2.35 H new ATOM 0 HZ3 LYS A 91 9.765 -9.264 0.484 1.00 2.35 H new ATOM 1424 N THR A 92 4.962 -5.949 -3.222 1.00 0.43 N ATOM 1425 CA THR A 92 3.851 -5.161 -2.684 1.00 0.40 C ATOM 1426 C THR A 92 3.092 -4.435 -3.785 1.00 0.42 C ATOM 1427 O THR A 92 1.866 -4.468 -3.832 1.00 0.44 O ATOM 1428 CB THR A 92 4.398 -4.149 -1.677 1.00 0.34 C ATOM 1429 OG1 THR A 92 5.321 -4.822 -0.861 1.00 0.37 O ATOM 1430 CG2 THR A 92 3.312 -3.559 -0.780 1.00 0.37 C ATOM 0 H THR A 92 5.852 -5.769 -2.757 1.00 0.43 H new ATOM 0 HA THR A 92 3.153 -5.840 -2.195 1.00 0.40 H new ATOM 0 HB THR A 92 4.847 -3.326 -2.233 1.00 0.34 H new ATOM 0 HG1 THR A 92 5.427 -4.336 -0.017 1.00 0.37 H new ATOM 0 HG21 THR A 92 3.760 -2.848 -0.086 1.00 0.37 H new ATOM 0 HG22 THR A 92 2.570 -3.049 -1.394 1.00 0.37 H new ATOM 0 HG23 THR A 92 2.830 -4.359 -0.218 1.00 0.37 H new ATOM 1438 N PHE A 93 3.818 -3.785 -4.692 1.00 0.42 N ATOM 1439 CA PHE A 93 3.173 -3.087 -5.797 1.00 0.47 C ATOM 1440 C PHE A 93 2.314 -4.028 -6.609 1.00 0.53 C ATOM 1441 O PHE A 93 1.173 -3.722 -6.952 1.00 0.57 O ATOM 1442 CB PHE A 93 4.249 -2.490 -6.696 1.00 0.49 C ATOM 1443 CG PHE A 93 3.807 -1.321 -7.553 1.00 0.66 C ATOM 1444 CD1 PHE A 93 3.060 -1.536 -8.726 1.00 1.64 C ATOM 1445 CD2 PHE A 93 4.189 -0.015 -7.200 1.00 1.75 C ATOM 1446 CE1 PHE A 93 2.700 -0.448 -9.541 1.00 1.71 C ATOM 1447 CE2 PHE A 93 3.832 1.071 -8.013 1.00 1.91 C ATOM 1448 CZ PHE A 93 3.088 0.856 -9.185 1.00 1.13 C ATOM 0 H PHE A 93 4.836 -3.728 -4.684 1.00 0.42 H new ATOM 0 HA PHE A 93 2.533 -2.304 -5.390 1.00 0.47 H new ATOM 0 HB2 PHE A 93 5.081 -2.166 -6.071 1.00 0.49 H new ATOM 0 HB3 PHE A 93 4.628 -3.275 -7.350 1.00 0.49 H new ATOM 0 HD1 PHE A 93 2.763 -2.537 -9.001 1.00 1.64 H new ATOM 0 HD2 PHE A 93 4.760 0.153 -6.299 1.00 1.75 H new ATOM 0 HE1 PHE A 93 2.126 -0.614 -10.440 1.00 1.71 H new ATOM 0 HE2 PHE A 93 4.129 2.072 -7.738 1.00 1.91 H new ATOM 0 HZ PHE A 93 2.814 1.692 -9.812 1.00 1.13 H new ATOM 1458 N GLN A 94 2.892 -5.179 -6.933 1.00 0.56 N ATOM 1459 CA GLN A 94 2.189 -6.163 -7.717 1.00 0.65 C ATOM 1460 C GLN A 94 0.933 -6.625 -6.980 1.00 0.59 C ATOM 1461 O GLN A 94 -0.050 -6.945 -7.627 1.00 0.63 O ATOM 1462 CB GLN A 94 3.100 -7.344 -8.063 1.00 0.77 C ATOM 1463 CG GLN A 94 2.537 -8.056 -9.295 1.00 1.20 C ATOM 1464 CD GLN A 94 3.203 -9.405 -9.514 1.00 1.27 C ATOM 1465 OE1 GLN A 94 4.389 -9.478 -9.814 1.00 1.85 O ATOM 1466 NE2 GLN A 94 2.455 -10.489 -9.360 1.00 1.70 N ATOM 0 H GLN A 94 3.839 -5.444 -6.663 1.00 0.56 H new ATOM 0 HA GLN A 94 1.883 -5.704 -8.657 1.00 0.65 H new ATOM 0 HB2 GLN A 94 4.113 -6.994 -8.259 1.00 0.77 H new ATOM 0 HB3 GLN A 94 3.159 -8.035 -7.222 1.00 0.77 H new ATOM 0 HG2 GLN A 94 1.462 -8.195 -9.176 1.00 1.20 H new ATOM 0 HG3 GLN A 94 2.682 -7.430 -10.176 1.00 1.20 H new ATOM 0 HE21 GLN A 94 1.470 -10.398 -9.110 1.00 1.70 H new ATOM 0 HE22 GLN A 94 2.864 -11.414 -9.492 1.00 1.70 H new ATOM 1475 N PHE A 95 0.942 -6.641 -5.644 1.00 0.54 N ATOM 1476 CA PHE A 95 -0.170 -7.128 -4.833 1.00 0.53 C ATOM 1477 C PHE A 95 -1.406 -6.286 -5.125 1.00 0.53 C ATOM 1478 O PHE A 95 -2.436 -6.802 -5.552 1.00 0.58 O ATOM 1479 CB PHE A 95 0.235 -7.057 -3.351 1.00 0.54 C ATOM 1480 CG PHE A 95 -0.622 -7.786 -2.333 1.00 0.60 C ATOM 1481 CD1 PHE A 95 -2.026 -7.699 -2.334 1.00 0.75 C ATOM 1482 CD2 PHE A 95 0.024 -8.467 -1.289 1.00 0.87 C ATOM 1483 CE1 PHE A 95 -2.773 -8.341 -1.329 1.00 0.80 C ATOM 1484 CE2 PHE A 95 -0.715 -9.092 -0.270 1.00 1.05 C ATOM 1485 CZ PHE A 95 -2.118 -9.036 -0.296 1.00 0.87 C ATOM 0 H PHE A 95 1.733 -6.311 -5.091 1.00 0.54 H new ATOM 0 HA PHE A 95 -0.408 -8.164 -5.074 1.00 0.53 H new ATOM 0 HB2 PHE A 95 1.251 -7.442 -3.266 1.00 0.54 H new ATOM 0 HB3 PHE A 95 0.267 -6.006 -3.066 1.00 0.54 H new ATOM 0 HD1 PHE A 95 -2.531 -7.139 -3.107 1.00 0.75 H new ATOM 0 HD2 PHE A 95 1.103 -8.511 -1.269 1.00 0.87 H new ATOM 0 HE1 PHE A 95 -3.852 -8.300 -1.351 1.00 0.80 H new ATOM 0 HE2 PHE A 95 -0.207 -9.612 0.528 1.00 1.05 H new ATOM 0 HZ PHE A 95 -2.693 -9.526 0.476 1.00 0.87 H new ATOM 1495 N ILE A 96 -1.313 -4.982 -4.870 1.00 0.50 N ATOM 1496 CA ILE A 96 -2.379 -4.043 -5.178 1.00 0.55 C ATOM 1497 C ILE A 96 -2.753 -4.190 -6.649 1.00 0.56 C ATOM 1498 O ILE A 96 -3.931 -4.211 -6.978 1.00 0.64 O ATOM 1499 CB ILE A 96 -1.963 -2.601 -4.828 1.00 0.57 C ATOM 1500 CG1 ILE A 96 -1.970 -2.354 -3.307 1.00 0.79 C ATOM 1501 CG2 ILE A 96 -2.935 -1.580 -5.415 1.00 0.65 C ATOM 1502 CD1 ILE A 96 -0.663 -2.760 -2.644 1.00 0.72 C ATOM 0 H ILE A 96 -0.493 -4.551 -4.443 1.00 0.50 H new ATOM 0 HA ILE A 96 -3.256 -4.267 -4.570 1.00 0.55 H new ATOM 0 HB ILE A 96 -0.961 -2.484 -5.241 1.00 0.57 H new ATOM 0 HG12 ILE A 96 -2.158 -1.298 -3.115 1.00 0.79 H new ATOM 0 HG13 ILE A 96 -2.791 -2.911 -2.856 1.00 0.79 H new ATOM 0 HG21 ILE A 96 -2.611 -0.574 -5.148 1.00 0.65 H new ATOM 0 HG22 ILE A 96 -2.955 -1.679 -6.500 1.00 0.65 H new ATOM 0 HG23 ILE A 96 -3.934 -1.757 -5.016 1.00 0.65 H new ATOM 0 HD11 ILE A 96 -0.722 -2.565 -1.573 1.00 0.72 H new ATOM 0 HD12 ILE A 96 -0.486 -3.823 -2.810 1.00 0.72 H new ATOM 0 HD13 ILE A 96 0.157 -2.184 -3.073 1.00 0.72 H new ATOM 1514 N ASN A 97 -1.770 -4.286 -7.545 1.00 0.55 N ATOM 1515 CA ASN A 97 -2.076 -4.369 -8.967 1.00 0.62 C ATOM 1516 C ASN A 97 -2.931 -5.599 -9.304 1.00 0.66 C ATOM 1517 O ASN A 97 -3.798 -5.537 -10.172 1.00 0.76 O ATOM 1518 CB ASN A 97 -0.778 -4.381 -9.777 1.00 0.67 C ATOM 1519 CG ASN A 97 -1.036 -3.967 -11.222 1.00 0.85 C ATOM 1520 OD1 ASN A 97 -1.811 -3.055 -11.492 1.00 1.64 O ATOM 1521 ND2 ASN A 97 -0.352 -4.589 -12.173 1.00 1.25 N ATOM 0 H ASN A 97 -0.776 -4.308 -7.315 1.00 0.55 H new ATOM 0 HA ASN A 97 -2.663 -3.490 -9.233 1.00 0.62 H new ATOM 0 HB2 ASN A 97 -0.055 -3.703 -9.324 1.00 0.67 H new ATOM 0 HB3 ASN A 97 -0.338 -5.378 -9.753 1.00 0.67 H new ATOM 0 HD21 ASN A 97 -0.466 -4.311 -13.148 1.00 1.25 H new ATOM 0 HD22 ASN A 97 0.288 -5.345 -11.930 1.00 1.25 H new ATOM 1528 N ASP A 98 -2.659 -6.719 -8.630 1.00 0.63 N ATOM 1529 CA ASP A 98 -3.324 -8.004 -8.769 1.00 0.67 C ATOM 1530 C ASP A 98 -4.763 -7.878 -8.255 1.00 0.64 C ATOM 1531 O ASP A 98 -5.705 -8.379 -8.869 1.00 0.76 O ATOM 1532 CB ASP A 98 -2.522 -9.077 -7.995 1.00 0.82 C ATOM 1533 CG ASP A 98 -1.597 -9.914 -8.891 1.00 1.85 C ATOM 1534 OD1 ASP A 98 -2.120 -10.445 -9.892 1.00 2.38 O ATOM 1535 OD2 ASP A 98 -0.391 -10.054 -8.561 1.00 3.15 O ATOM 0 H ASP A 98 -1.919 -6.748 -7.928 1.00 0.63 H new ATOM 0 HA ASP A 98 -3.366 -8.310 -9.814 1.00 0.67 H new ATOM 0 HB2 ASP A 98 -1.925 -8.588 -7.225 1.00 0.82 H new ATOM 0 HB3 ASP A 98 -3.218 -9.742 -7.484 1.00 0.82 H new ATOM 1540 N GLN A 99 -4.967 -7.195 -7.126 1.00 0.62 N ATOM 1541 CA GLN A 99 -6.310 -6.856 -6.674 1.00 0.72 C ATOM 1542 C GLN A 99 -6.835 -5.668 -7.472 1.00 0.79 C ATOM 1543 O GLN A 99 -6.733 -4.521 -7.042 1.00 1.44 O ATOM 1544 CB GLN A 99 -6.328 -6.575 -5.164 1.00 0.80 C ATOM 1545 CG GLN A 99 -6.324 -7.874 -4.350 1.00 1.12 C ATOM 1546 CD GLN A 99 -7.641 -8.637 -4.497 1.00 1.63 C ATOM 1547 OE1 GLN A 99 -8.595 -8.395 -3.770 1.00 2.16 O ATOM 1548 NE2 GLN A 99 -7.732 -9.567 -5.440 1.00 2.71 N ATOM 0 H GLN A 99 -4.220 -6.869 -6.513 1.00 0.62 H new ATOM 0 HA GLN A 99 -6.969 -7.706 -6.848 1.00 0.72 H new ATOM 0 HB2 GLN A 99 -5.460 -5.973 -4.895 1.00 0.80 H new ATOM 0 HB3 GLN A 99 -7.212 -5.990 -4.912 1.00 0.80 H new ATOM 0 HG2 GLN A 99 -5.499 -8.506 -4.677 1.00 1.12 H new ATOM 0 HG3 GLN A 99 -6.152 -7.644 -3.299 1.00 1.12 H new ATOM 0 HE21 GLN A 99 -6.932 -9.763 -6.042 1.00 2.71 H new ATOM 0 HE22 GLN A 99 -8.602 -10.086 -5.563 1.00 2.71 H new ATOM 1557 N ILE A 100 -7.458 -5.968 -8.617 1.00 1.43 N ATOM 1558 CA ILE A 100 -8.135 -4.992 -9.460 1.00 1.58 C ATOM 1559 C ILE A 100 -8.903 -3.997 -8.579 1.00 1.56 C ATOM 1560 O ILE A 100 -9.720 -4.387 -7.747 1.00 2.94 O ATOM 1561 CB ILE A 100 -9.025 -5.716 -10.494 1.00 3.16 C ATOM 1562 CG1 ILE A 100 -9.594 -4.741 -11.542 1.00 3.81 C ATOM 1563 CG2 ILE A 100 -10.176 -6.499 -9.846 1.00 4.57 C ATOM 1564 CD1 ILE A 100 -8.677 -4.644 -12.764 1.00 4.30 C ATOM 0 H ILE A 100 -7.503 -6.918 -8.986 1.00 1.43 H new ATOM 0 HA ILE A 100 -7.411 -4.411 -10.032 1.00 1.58 H new ATOM 0 HB ILE A 100 -8.369 -6.431 -10.991 1.00 3.16 H new ATOM 0 HG12 ILE A 100 -10.584 -5.074 -11.853 1.00 3.81 H new ATOM 0 HG13 ILE A 100 -9.715 -3.754 -11.096 1.00 3.81 H new ATOM 0 HG21 ILE A 100 -10.767 -6.986 -10.622 1.00 4.57 H new ATOM 0 HG22 ILE A 100 -9.769 -7.253 -9.172 1.00 4.57 H new ATOM 0 HG23 ILE A 100 -10.811 -5.814 -9.283 1.00 4.57 H new ATOM 0 HD11 ILE A 100 -9.105 -3.949 -13.486 1.00 4.30 H new ATOM 0 HD12 ILE A 100 -7.695 -4.287 -12.454 1.00 4.30 H new ATOM 0 HD13 ILE A 100 -8.577 -5.628 -13.223 1.00 4.30 H new ATOM 1576 N LYS A 101 -8.595 -2.707 -8.731 1.00 1.98 N ATOM 1577 CA LYS A 101 -9.130 -1.639 -7.898 1.00 3.40 C ATOM 1578 C LYS A 101 -10.615 -1.449 -8.202 1.00 3.06 C ATOM 1579 O LYS A 101 -10.985 -0.560 -8.961 1.00 3.73 O ATOM 1580 CB LYS A 101 -8.320 -0.337 -8.082 1.00 5.27 C ATOM 1581 CG LYS A 101 -8.100 0.094 -9.546 1.00 6.49 C ATOM 1582 CD LYS A 101 -6.718 -0.298 -10.084 1.00 7.63 C ATOM 1583 CE LYS A 101 -6.677 -0.056 -11.597 1.00 8.43 C ATOM 1584 NZ LYS A 101 -5.676 -0.913 -12.275 1.00 9.42 N ATOM 0 H LYS A 101 -7.954 -2.374 -9.451 1.00 1.98 H new ATOM 0 HA LYS A 101 -9.035 -1.915 -6.848 1.00 3.40 H new ATOM 0 HB2 LYS A 101 -8.832 0.469 -7.555 1.00 5.27 H new ATOM 0 HB3 LYS A 101 -7.347 -0.462 -7.606 1.00 5.27 H new ATOM 0 HG2 LYS A 101 -8.869 -0.358 -10.172 1.00 6.49 H new ATOM 0 HG3 LYS A 101 -8.221 1.175 -9.623 1.00 6.49 H new ATOM 0 HD2 LYS A 101 -5.943 0.287 -9.589 1.00 7.63 H new ATOM 0 HD3 LYS A 101 -6.514 -1.346 -9.866 1.00 7.63 H new ATOM 0 HE2 LYS A 101 -7.663 -0.248 -12.021 1.00 8.43 H new ATOM 0 HE3 LYS A 101 -6.445 0.992 -11.789 1.00 8.43 H new ATOM 0 HZ1 LYS A 101 -5.684 -0.715 -13.296 1.00 9.42 H new ATOM 0 HZ2 LYS A 101 -4.731 -0.713 -11.891 1.00 9.42 H new ATOM 0 HZ3 LYS A 101 -5.910 -1.914 -12.115 1.00 9.42 H new ATOM 1598 N PHE A 102 -11.467 -2.292 -7.625 1.00 2.89 N ATOM 1599 CA PHE A 102 -12.876 -2.328 -7.954 1.00 3.12 C ATOM 1600 C PHE A 102 -13.637 -2.621 -6.667 1.00 3.02 C ATOM 1601 O PHE A 102 -13.444 -3.667 -6.055 1.00 3.60 O ATOM 1602 CB PHE A 102 -13.122 -3.394 -9.033 1.00 3.87 C ATOM 1603 CG PHE A 102 -14.183 -2.994 -10.038 1.00 4.32 C ATOM 1604 CD1 PHE A 102 -15.519 -2.821 -9.634 1.00 5.10 C ATOM 1605 CD2 PHE A 102 -13.825 -2.770 -11.382 1.00 4.82 C ATOM 1606 CE1 PHE A 102 -16.491 -2.416 -10.566 1.00 6.03 C ATOM 1607 CE2 PHE A 102 -14.798 -2.371 -12.315 1.00 5.72 C ATOM 1608 CZ PHE A 102 -16.130 -2.187 -11.906 1.00 6.21 C ATOM 0 H PHE A 102 -11.191 -2.969 -6.914 1.00 2.89 H new ATOM 0 HA PHE A 102 -13.222 -1.378 -8.362 1.00 3.12 H new ATOM 0 HB2 PHE A 102 -12.188 -3.591 -9.560 1.00 3.87 H new ATOM 0 HB3 PHE A 102 -13.419 -4.326 -8.552 1.00 3.87 H new ATOM 0 HD1 PHE A 102 -15.799 -2.999 -8.606 1.00 5.10 H new ATOM 0 HD2 PHE A 102 -12.801 -2.905 -11.696 1.00 4.82 H new ATOM 0 HE1 PHE A 102 -17.516 -2.281 -10.253 1.00 6.03 H new ATOM 0 HE2 PHE A 102 -14.522 -2.206 -13.346 1.00 5.72 H new ATOM 0 HZ PHE A 102 -16.876 -1.870 -12.620 1.00 6.21 H new ATOM 1618 N ILE A 103 -14.475 -1.677 -6.246 1.00 2.94 N ATOM 1619 CA ILE A 103 -15.237 -1.758 -5.005 1.00 2.90 C ATOM 1620 C ILE A 103 -16.698 -1.388 -5.242 1.00 3.57 C ATOM 1621 O ILE A 103 -17.593 -2.014 -4.682 1.00 5.18 O ATOM 1622 CB ILE A 103 -14.560 -0.928 -3.910 1.00 2.75 C ATOM 1623 CG1 ILE A 103 -15.335 -1.072 -2.587 1.00 2.82 C ATOM 1624 CG2 ILE A 103 -14.447 0.538 -4.326 1.00 3.09 C ATOM 1625 CD1 ILE A 103 -14.563 -0.533 -1.382 1.00 4.15 C ATOM 0 H ILE A 103 -14.646 -0.818 -6.769 1.00 2.94 H new ATOM 0 HA ILE A 103 -15.245 -2.788 -4.648 1.00 2.90 H new ATOM 0 HB ILE A 103 -13.548 -1.304 -3.761 1.00 2.75 H new ATOM 0 HG12 ILE A 103 -16.285 -0.544 -2.669 1.00 2.82 H new ATOM 0 HG13 ILE A 103 -15.568 -2.124 -2.421 1.00 2.82 H new ATOM 0 HG21 ILE A 103 -13.963 1.105 -3.531 1.00 3.09 H new ATOM 0 HG22 ILE A 103 -13.855 0.613 -5.238 1.00 3.09 H new ATOM 0 HG23 ILE A 103 -15.443 0.943 -4.506 1.00 3.09 H new ATOM 0 HD11 ILE A 103 -15.160 -0.662 -0.480 1.00 4.15 H new ATOM 0 HD12 ILE A 103 -13.625 -1.078 -1.277 1.00 4.15 H new ATOM 0 HD13 ILE A 103 -14.353 0.526 -1.529 1.00 4.15 H new ATOM 1637 N ILE A 104 -16.944 -0.387 -6.091 1.00 3.01 N ATOM 1638 CA ILE A 104 -18.285 0.035 -6.457 1.00 3.68 C ATOM 1639 C ILE A 104 -18.343 0.158 -7.979 1.00 3.99 C ATOM 1640 O ILE A 104 -19.128 -0.529 -8.626 1.00 5.19 O ATOM 1641 CB ILE A 104 -18.667 1.307 -5.669 1.00 4.22 C ATOM 1642 CG1 ILE A 104 -20.135 1.700 -5.897 1.00 5.15 C ATOM 1643 CG2 ILE A 104 -17.774 2.525 -5.966 1.00 4.30 C ATOM 1644 CD1 ILE A 104 -21.092 0.799 -5.110 1.00 6.50 C ATOM 0 H ILE A 104 -16.207 0.154 -6.544 1.00 3.01 H new ATOM 0 HA ILE A 104 -19.044 -0.696 -6.179 1.00 3.68 H new ATOM 0 HB ILE A 104 -18.510 1.033 -4.626 1.00 4.22 H new ATOM 0 HG12 ILE A 104 -20.284 2.738 -5.599 1.00 5.15 H new ATOM 0 HG13 ILE A 104 -20.368 1.637 -6.960 1.00 5.15 H new ATOM 0 HG21 ILE A 104 -18.109 3.375 -5.372 1.00 4.30 H new ATOM 0 HG22 ILE A 104 -16.741 2.289 -5.711 1.00 4.30 H new ATOM 0 HG23 ILE A 104 -17.839 2.774 -7.025 1.00 4.30 H new ATOM 0 HD11 ILE A 104 -22.120 1.109 -5.297 1.00 6.50 H new ATOM 0 HD12 ILE A 104 -20.961 -0.236 -5.427 1.00 6.50 H new ATOM 0 HD13 ILE A 104 -20.877 0.882 -4.045 1.00 6.50 H new ATOM 1656 N ASN A 105 -17.478 0.988 -8.560 1.00 3.93 N ATOM 1657 CA ASN A 105 -17.323 1.132 -9.998 1.00 5.25 C ATOM 1658 C ASN A 105 -15.899 1.619 -10.261 1.00 6.17 C ATOM 1659 O ASN A 105 -15.187 1.942 -9.305 1.00 6.10 O ATOM 1660 CB ASN A 105 -18.363 2.137 -10.515 1.00 5.50 C ATOM 1661 CG ASN A 105 -18.488 2.095 -12.032 1.00 6.81 C ATOM 1662 OD1 ASN A 105 -18.140 1.101 -12.663 1.00 7.64 O ATOM 1663 ND2 ASN A 105 -19.003 3.152 -12.641 1.00 7.48 N ATOM 0 H ASN A 105 -16.852 1.592 -8.026 1.00 3.93 H new ATOM 0 HA ASN A 105 -17.483 0.187 -10.517 1.00 5.25 H new ATOM 0 HB2 ASN A 105 -19.332 1.921 -10.065 1.00 5.50 H new ATOM 0 HB3 ASN A 105 -18.083 3.143 -10.201 1.00 5.50 H new ATOM 0 HD21 ASN A 105 -19.117 3.151 -13.655 1.00 7.48 H new ATOM 0 HD22 ASN A 105 -19.285 3.967 -12.097 1.00 7.48 H new ATOM 1670 N SER A 106 -15.487 1.689 -11.527 1.00 7.58 N ATOM 1671 CA SER A 106 -14.419 2.594 -11.924 1.00 8.69 C ATOM 1672 C SER A 106 -15.018 3.991 -12.112 1.00 8.89 C ATOM 1673 O SER A 106 -14.260 4.842 -12.625 1.00 9.76 O ATOM 1674 CB SER A 106 -13.773 2.086 -13.217 1.00 9.93 C ATOM 1675 OG SER A 106 -12.612 2.836 -13.513 1.00 10.45 O ATOM 1676 OXT SER A 106 -16.215 4.168 -11.786 1.00 8.62 O ATOM 0 H SER A 106 -15.876 1.132 -12.288 1.00 7.58 H new ATOM 0 HA SER A 106 -13.644 2.640 -11.159 1.00 8.69 H new ATOM 0 HB2 SER A 106 -13.516 1.032 -13.114 1.00 9.93 H new ATOM 0 HB3 SER A 106 -14.483 2.162 -14.041 1.00 9.93 H new ATOM 0 HG SER A 106 -12.774 3.782 -13.313 1.00 10.45 H new TER 1682 SER A 106